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  • Articles  (4,943)
  • Springer  (4,943)
  • American Chemical Society (ACS)
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  • 7498
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  • 1
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    Some capabilities of neutron methods for investigating materials and components of devices used in hydrogen power engineering (2007)
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    Publication Date: 2007-05-01
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  • 2
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    Fedorov pseudosymmetry of crystals: Review (2007)
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    Publication Date: 2007-02-01
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  • 3
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    Structure and properties of crystals in the potassium titanyl phosphate family: A review (2007)
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    Publication Date: 2007-02-01
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  • 4
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    Crystal structure of phosphorus-rich ellenbergerite (2007)
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    Publication Date: 2007-03-01
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  • 5
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    Study of three-dimensionally ordered structures of intact mitochondria by small-angle neutron scattering (2007)
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  • 6
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    Specific features of the crystal structure of erbium polyphosphate of the structural type C (2007)
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  • 7
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    Cluster self-organization of TR,Ge-containing crystal-forming systems: Suprapolyhedral precursors and self-assembly of La3Ga[6]Ga 4 [4] Ge[4]O14 (langasite) and La3Ge[6]Ge 2 [5] Ge 2 [4] Ga[4]O16 gallogermanates (2007)
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  • 8
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    Electron diffraction study of lizardite 1T with stacking faults (2007)
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  • 9
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    Structural mineralogy of the eudialyte group: A review (2007)
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  • 10
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    Structure of a new three-dimensional metal-organic framework: Poly[manganese(II)-bis-(µ4-1,4-naphthalenedicarboxylate)-bis-( N , N -dimethylformamide)] (2015)
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    Publication Date: 2015-11-21
    Description: A novel metal-organic framework, [Mn 2 (C 12 H 6 O 4 ) 2 (C 3 H 7 NO) 2 ] n has been synthesized solvothermally by assembling ligands 1,4-naphthalenedicarboxylic acid (NDC), N , N -dimethylformamide (DMF) and manganese(II). Both independent Mn(II) ions are six-coordinated in a distorted octahedral environment with oxygen donors. Bis(bridging bidentate) μ 4 -η 1 :η 1 :η 2 :η 1 , NDC ligands orient in two directions, [010] and [001], linking the Mn(II) ions to form a square grid in (100) plane. Corner shared Mn(II) octahedral form chains along a direction resulting in a three dimensional network.
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  • 11
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    Epitaxy of gold films on the structured (0001) sapphire surface (2015)
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    Publication Date: 2015-11-21
    Description: The oriented growth of gold films from vapor phase occurs on (0001) sapphire substrates heated to 500°C. Epitaxy is observed when gold nanocrystals reach a certain size under fixed external conditions. In the case of weak adhesion between a crystal and substrate, gold is crystallized on the edges of atomically smooth steps of the substrate in the form of a nanocrystals, mainly with the following three epitaxial relationships maintained: the (111), (100), and (211) planes with high atomic density are oriented parallel to the (0001)Al 2 O 3 plane. At lower temperatures, gold is crystallized on substrates in the form of nanocrystals 100–120 nm in size, ordered along the step edges and having no preferred orientation.
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  • 12
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    Crystal structure of 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4 H -chromene-3-carbonitrile hemihydrate (2015)
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    Publication Date: 2015-11-24
    Description: The title compound, 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4 H chromene-3-carbonitrile was synthesized by multicomponent reaction at room temperature using commercially available urea as inexpensive and environmentally benign organo-catalyst. Its structure was determined by X-ray structure analysis. The crystals are monoclinic, sp. gr. C 2/ c , a = 22.010(6), b = 11.0364(10), c = 17.147(4) Å, β = 130.37(4)°, Z = 8, R = 0.0433 for 2377 observed reflections.
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  • 13
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    Synthesis and crystal structure of the rhodium(I) cyclooctadiene complex with bis(3- tert -butylimidazol-2-ylidene)borate ligand (2015)
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    Publication Date: 2015-11-24
    Description: The rhodium(I) cyclooctadiene complex with the bis(3- tert -butylimidazol-2-ylidene)borate ligand [H 2 B( Im t Bu ) 2 ]Rh(COD) C 22 H 36 BN 4 Rh, has been prepared, and its crystal structure is determined by X-ray diffraction. Complex exhibits slightly distorted square planar configurations around the metal center, which is coordinated by the bidentate H 2 B( Im t Bu ) 2 and one cyclooctadiene group. The Rh–C carbene bond lengths are 2.043(4) and 2.074(4) Å, and the bond angle C–Rh1–C is 82.59°. The dihedral angle between two imidazol-2-ylidene rings is 67.30°.
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  • 14
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    The growth of Ho:YAG single crystals by Czochralski method and investigating the formed cores (2015)
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    Publication Date: 2015-11-24
    Description: Ho:YAG single crystals were grown by Czochralski technique, and investigated by the X-ray diffraction (XRD) and optical methods. The crystals were cut and polished in order to observe and analyze their cores. It was found that the deviation of the cores formed in the Czochralski grown Ho:YAG single crystals are resulted from non-symmetrical status of thermal insulation around the Iridium crucible.
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  • 15
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    Synthesis, characterization, and crystal structure of sulfonamide chalcone: ( E )-4-methoxy- N -(4-(3-(3,4,5-trimethoxyphenyl)acryloyl)phenyl)-benzenesulfonamide (2015)
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    Publication Date: 2015-11-24
    Description: The title sulfonamide chalcone derivative was synthesized by condensation reaction of N -(4-acetylphenyl)-4-methoxybenzenesulfonamide and 3,4,5-trimethoxybenzaldehyde in basic solution. The structure was determined using FT-IR, 1 H-NMR and UV-Vis spectroscopy. The crystal structure was characterized by single crystal X-ray structure analysis: triclinic system, sp. gr. P \(\overline 1\) , Z = 2; a = 7.9273(5), b = 9.3159(6), c = 18.0174(12) Å, α = 94.6420(18)°, β = 93.0310(17)°, γ = 114.9200(15)°. In crystal packing, the molecules are linked by N–H···O hydrogen bonds into chains along the [100] direction. The crystal is further stabilized by weak C–H···O and C–H···π interactions.
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  • 16
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    Synthesis and antibacterial properties of 4-bromobenzohydrazide derivatives and crystal structure of ( E )- N ′-((1 H -indol-3-yl)methylene)-4-bromobenzohydrazide (2015)
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    Publication Date: 2015-11-24
    Description: Six 4-bromobenzohydrazide derivatives ( 1–6 ) were synthesized by the condensation reaction of 4-bromobenzohydrazide and benzaldehydes, and evaluated for antibacterial activity. Their structures were determined by spectroscopic methods. In addition, the crystal structure of compound 6 was characterized by single crystal X-ray structure determination. In crystal packing, the molecules are linked by N–H···O and N–H···N hydrogen bonds into two-dimensional network parallel to the (001) plane. The crystal is further stabilized by weak C–H···O and C–H···π interactions.
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  • 17
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    Morphology and kinetics of polymorphic transformations in K 0.965 Rb 0.035 NO 3 single crystals (2015)
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    Publication Date: 2015-11-24
    Description: Polymorphic transformations in K 0.965 Rb 0.035 NO 3 single crystals have been investigated by optical microscopy and X-ray diffraction. The equilibrium temperature between modifications II and III of the crystal studied is determined to be T = 452 ± 0.5 K. It is found that polymorphic transformations are of the single crystal ↔ single crystal type and occur with the formation and growth of nuclei of new crystals in matrix ones at II ↔ III transformations. An empirical dependence of the growth rate of modification III on temperature is established in the form ϑ = ϑ = (–0.478Δ T + 0.712Δ T 2 –0.00041Δ T 3 ) × 10 –2 cm/s (Δ T = T tr – T 0 , where T tr is the transformation temperature and T 0 is the equilibrium temperature).
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  • 18
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    Synthesis, characterization, crystal structure, and thermal analysis of 2-chloro- N -(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1 H -pyrazol-4-yl)acetamide (2015)
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    Publication Date: 2015-11-24
    Description: The title compound, C 13 H 14 O 2 N 3 Cl, has been synthesized by the reaction of chloroacetyl chloride with 4-aminoantipyrine in basic media and characterized by FT-IR, CHN elemental analysis, UV-Vis, TGA, DTA, DSC and single crystal X-ray diffraction. crystals are monoclinic, sp. gr. P 2 1 / c , a = 6.9994(6), b = 12.4035(13), c = 15.836(2) Å, β = 100.367(9)°, Z = 4. The crystal structure is stabilized by N–H···O and C–H···O interactions, the former interactions result in the formation of dimers corresponding to R 2 2 (10) graphset motif and the dimers are further connected by C–H···O hydrogen bonding forming chains. In addition, the thermal stability of the compound was determined by TGA, DTA, DSC analysis, and absorption at λ max = 298 nm was determined by UV-Vis spectrophotometer.
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  • 19
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    Crystal structure of ( Z )-3-methyl-4-((naphth-1-ylamino)methylidene)-1-phenyl-1H-pyrazol-5(4H)-one (2015)
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    Publication Date: 2015-11-24
    Description: The new pyrazolone derivative, ( Z )-3-methyl-4-((naphthalen-1-ylamino)methylidene)-1-phenyl-1H-pyrazol-5(4H)-one, C 21 H 17 N 3 O, is synthesized, and its crystal structure is determined by X-ray structure analysis. The crystals are orthorhombic, sp. gr. P 2 1 2 1 2 1 , a = 6.5683(7), b = 12.7384(15), c = 20.198(3) Å, Z = 4, R = 0.0564 for 983 observed reflections. In crystal, the molecule exists in amine-one tautomeric form. The crystal structure is stabilized by N–H···O and C–H···O hydrogen bonds. In addition, C–H···π and π-π-interactions are observed.
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  • 20
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    Synthesis, characterization, and crystal structure of 2-amino-5-oxo-4-phenyl-4,5-dihydropyrano[3,2- c ]chromene-3-carbonitrile (2015)
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    Publication Date: 2015-11-24
    Description: The title compound, 2-amino-5-oxo-4-phenyl-4,5-dihydropyrano[3,2- c ]chromene-3-carbonitrile was synthesized in excellent yield by one-pot multicomponent reaction and its crystal structure is determined by X-ray structure analysis. The crystals are monoclinic, sp. gr. P 2 1 / c , a = 9.0750(6), b = 13.2729(8), c = 12.6892(9) Å, β = 96.975(6)°, Z = 4; R = 0.0466 for 1771 observed reflections. The crystal structure is stabilized by N–H···N, N–H···O and C–H···O hydrogen bonds. In addition, C–H···π and π···π interactions are observed in the crystal structure.
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  • 21
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    Synthesis, spectral characterization, and single crystal structure studies of (2-nitro-ethene-1,1-diyl)-bis-((4-isopropyl-benzyl)sulfane) (2015)
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    Publication Date: 2015-11-24
    Description: The title compound (2-nitro-ethene-1,1-diyl)-bis-(4-isopropylbenzyl)sulfane) (5), was synthesised using a two step process. The structure of the product (5) was established by UV, FT-IR, 1 H NMR, 13 C NMR, C,H,N analysis, LC-MS and single crystal X-ray diffraction analysis. The single crystal of the title compound (5) was crystallized in Monoclinic with the space group of P 21/ c . The crystal exhibit the following unit cell parameters a = 12.8165(18), b = 6.1878(6), c = 27.082(4) Å, β = 90.705(17)°, V = 2147.6(5) A 3 , Z = 4, D x = 1.242 Mg/m 3 and the molecular formula of C 22 H 27 N 1 O 2 S 2 was found. The final R value was 0.0776. The crystal structure is stabilized by an interesting intramolecular push and pull five membered electrocyclic interaction between the O1–N1–C2–C1–S1- and via the intermolecular H-bonding interaction between C2–H2···O2.
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  • 22
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    Crystal structure of 2,4,6-triisopropyl-2',5'-dimethoxybiphenyl (2015)
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    Publication Date: 2015-11-24
    Description: The title compound, 2,4,6-triisopropyl-2',5'-dimethoxybiphenyl was synthesized from 1-choloro-2.5-dimethoxy benzene, 1,3,5-triisopropylbenzene boronic acid and potassium phosphate in the presence of lead acetate as a catalyst and toluene as a solvent. Its crystal structure is determined by X-ray structure analysis. The crystals are the orthorhombic, a = 12.3281(4), b = 17.4235(5), c = 19.6550(6) Å, Z = 8, sp. gr. Pbca . R = 0.0603 for 2494 observed reflections.
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  • 23
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    Synthesis and crystal structure of a copper complex with ( E )-2-(4-(1 H -1,2,4-triazol-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2 H )-one ligand (2015)
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    Publication Date: 2015-11-24
    Description: The title compound, C 35 H 23 CuF 6 N 3 O 5 S 2 ( 1 ), was synthesized by the reaction of Cu( tta ) 2 and L 1 , ( L 1 = ( E )-2-(4-(1 H -1,2,4-triazol-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2 H )-one) in the dichloromethane solution. It crystallizes in the monoclinic, space group P 2 1 / c with a = 33.8388(5), b = 9.3874(2), c = 21.8194(4) Å, β = 95.522(2), V = 6898.9(2) Å 3 , Z = 8, D x = 1.554 Mg/m 3 , F (000) = 3272, µ = 0.834 mm –1 , R 1 = 0.0639, wR 2 = 0.1637. The copper(II) ion of 1 is in a distorted square-pyramidal environment with four O atoms of the two tta ligands and one N atom of triazole ligand L 1 . Single-crystal X-ray diffraction data revealed that the hydrogen bonds, weak C–H···π and π···π interactions in the crystals link the coordination units to form 3D supramolecular structures.
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  • 24
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    Synthesis and structure of a 2D → 3D framework with coexistence of hydrogen bonds and polythreading character (2015)
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    Publication Date: 2015-11-24
    Description: The title complex, {[Co(BPPA)(5-OH- bdc )] · (H 2 O)} n was prepared under hydrothermal conditions based on two ligands, namely, bis(4-(pyridin-4-yl)phenyl)amine (BPPA) and 5-hydroxyisophthalic acid (5-OH-H 2 bdc ). 5-OH- bdc 2– anions coordinated to Co atoms to give layers in crystal. BPPA ligands coordinate to Co atoms and thread into the adjacent layers. There are hydrogen bonds between adjacent layers, giving rise to a 2D → 3D framework.
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  • 25
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    Crystal and molecular structure of ( Z )-4-((( Z )-(2-oxonaphthalen-1(2 H )-ylidene)methyl)amino)- N -(thiazol-2(3 H )-ylidene)benzenesulfonamide (2015)
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    Publication Date: 2015-11-24
    Description: The experimental geometry of the title compound, ( Z )-4-((( Z )-(2-oxonaphthalen-1(2 H )-ylidene)methyl)amino)- N -(thiazol-2(3 H )-ylidene)benzene, C 20 H 15 N 3 O 3 S 2 , was characterized by X-ray diffraction analysis (XRD). And also SEM analysis has been done for morphological investigation of the crystal structure. Molecular structure crystallizes in triclinic form, space group P \(\overline 1\) with a = 9.1398(7), b = 10.1524(7), c = 11.3767(8) Å, α = 114.488°, β = 91.380(6)°, γ = 102.006(6)° and V = 932.44(12) Å 3 . In the solid state of the molecular structure C–H···O and N–H···O type interactions provide for stabilization.
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  • 26
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    Synthesis, crystal, and biological activity of a novel carbene silver(I) complex with imidazole derivative (2015)
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    Publication Date: 2015-11-24
    Description: Reaction of 2-(1-methyl-1,2-dihydroimidazol-3-yl)acetonitrile tetrafluoroborate with silver oxide in dichloromethane readily yields [Ag( DIM ) 2 ]BF 4 , where DIM is 2-(1-methyl-1, 2-dihydroimidazol-3-yl)acetonitrile, representing a carbene organic ligand. The title compound was characterized by elemental analysis, IR, MS and single crystal X-ray diffraction. The crystal is of monoclinic system, space group C 2/ c with a = 14.010(18), b = 8.303(11), c = 14.936(20) Å, β = 93.910(4)°, V = 1639(4) Å 3 , Z = 4, D x = 1.771 g/cm 3 , F (000) = 864, µ(Mo K α ) = 1.278 mm –1 . The final R 1 = 0.0711 and wR 2 = 0.1903 for reflections with I 〉 2σ( I ). In addition, the preliminary biological test showed that the title compound had anti-fungus yeast activity.
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  • 27
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    X-ray third-order nonlinear dynamical diffraction in a crystal (2015)
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    Publication Date: 2015-11-24
    Description: The dynamic diffraction of an X-ray wave in a crystal with a third-order nonlinear response to external field strength has been theoretically investigated. General equations for the wave propagation in crystal and nonlinear Takagi equations for both ideal and deformed crystals are derived. Integrals of motion are determined for the nonlinear problem of dynamic diffraction. The results of the numerical calculations of reflectivity in the symmetric Laue geometry for an incident plane wave and the intensity distributions on the output crystal surface for a point source are reported as an example.
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  • 28
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    Erratum to: “Structural and electrical properties of InAlAs/InGaAs/InAlAs HEMT heterostructures on InP substrates with InAs inserts in quantum well” (2015)
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    Publication Date: 2015-05-26
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  • 29
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    Conductivity limit of fluorine-conducting solid electrolytes for electrochemical devices operating at room temperature (2015)
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    Publication Date: 2015-05-26
    Description: An analysis of the characteristics of operating devices and prototypes based on fluorine-conducting solid electrolytes allows for estimating the lower fluoride conductivity limits σ 293 K that are sufficient for using these electrolytes in electrochemical devices operating at room temperature. The estimated σ 293 K values for different electrochemical devices differ strongly: σ 293 K 〉 10 −3 S/cm for fluorine ion current sources and fluorine gas detection sensors and σ 293 K 〉 10 −5 S/cm for fluorine fluid sensors (ion-selective electrodes). The fluoride materials that are promising as solid electrolytes in fluorine-ion batteries and accumulators, fluorine-selective electrodes, and gas fluorine gas sensors operating at room temperature are listed.
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  • 30
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    Modular design of locally ordered tetrahedral structures: III. Structural mechanism of nonequilibrium fibrous and rough-layer normal growth of diamond crystals (2015)
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    Publication Date: 2015-05-26
    Description: Structural mechanisms of nontangential nonequilibrium normal growth of natural and synthetic diamond crystals with a fibrous or layered structure, formed under particularly nonequilibrium conditions, are proposed. It is shown that their growth is based on strained noncrystalline structures rapidly growing in length: 30/11 and 40/9 helices. The fibrous growth of diamond crystals along the 〈111〉 and 〈100〉 directions occurs according to the helicoidal mechanism, with helicoid axes in the form of 30/11 and 40/9 helices, respectively. Stacks of rough {110} lamellae can be formed via branching of 30/11 helices, which are then overgrown by a crystalline layer. Lamellae with orientation {100}, formed during the growth of diamond and silicon from vapor phase, also grow according to the helicoidal mechanism based on 40/9 helices via the aggregation of helicoids into these lamellae. Due to the complicated internal structure of these diamond crystals, their physical properties differ from those of diamond single crystals grown according to the tangential growth mechanism.
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    Blocks and residual stresses in sapphire rods of different crystallographic orientations grown by the Stepanov method (2015)
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    Description: The formation of blocks in shaped sapphire rods of two crystallographic orientations has been investigated. It is shown that, when growth occurs in the direction of the optical c axis, blocks are formed with a higher probability than in the case of growth in the a direction. A model of formation of blocks in rods of different orientations is proposed. The distribution of residual stresses over sapphire rod cross sections is measured by conoscopy. It is found that stresses increase from the middle of a rod to its periphery and reach 20 MPa.
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    Electron microscopy of iron chalcogenide FeTe(Se) films (2015)
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    Description: The structure of Fe 1 + δ Te 1 − x Se x films ( x = 0; 0.05) grown on single-crystal MgO and LaAlO 3 substrates has been investigated by transmission and scanning transmission electron microscopy. The study of Fe 1.11 Te/MgO structures has revealed two crystallographic orientation relationships between the film and substrate. It is shown that the lattice mismatch between the film and substrate is compensated for by the formation of misfit dislocations. The Burgers vector projection is determined. The stresses in the film can partially be compensated for due to the formation of an intermediate disordered layer. It is shown that a FeTe 0.5 Se 0.5 film grown on a LaAlO 3 substrate is single-crystal and that the FeTe 0.5 Se 0.5 /LaAlO 3 interface in a selected region is coherent. The orientation relationships between the film and substrate are also determined for this case.
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    Study of phase equilibria in the Rb 3 H(SO 4 ) 2 -RbH 2 PO 4 -H 2 O system (2015)
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    Publication Date: 2015-05-26
    Description: Phase equilibria in the Rb 3 H(SO 4 ) 2 -RbH 2 PO 4 -H 2 O system have been studied by the method of additives under isothermal conditions (at 25.0°C). The limits of the crystallization ranges of the compounds are preliminarily determined. Concentration conditions for the crystallization of Rb 2 (HSO 4 )(H 2 PO 4 ) and Rb 4 (HSO 4 ) 3 (H 2 PO 4 ) compounds are found.
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    Piezo-optic properties of LiNH 4 SO 4 crystals (2015)
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    Description: The effect of uniaxial stresses applied along the principle crystallographic directions on the dispersion and temperature dependences of birefringence of LiNH 4 SO 4 crystals is studied. The anomalies of the temperature dependence of birefringence near 220 K have been observed, and their position is shown to depend on the magnitude and direction of crystal uniaxial compression. The spectral and temperature dependences of combined piezo-optic coefficients π im 0 of these crystals are investigated. It is demonstrated that these coefficients have different signs, are characterized by significant dispersion, and weakly change with temperature; they also have equal absolute values in the vicinity of the isotropic point.
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    Relationship between the defect structure and fluorine-ion conductivity of La 1 − y Sr y F 3 − y (0 ⩽ y ⩽ 0.15) crystals according to X-ray and neutron diffraction data (2015)
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    Description: The defect structure of crystals of as-grown nonstoichiometric tysonite (LaF 3 type) La 1 − y Sr y F 3 − y phase ( y = 0, 0.05, 0.07, and 0.15) has been investigated by X-ray diffraction and neutron diffraction. A concentration-driven structural transition from the β-La 1 − y Sr y F 3 − y modification to the α-La 1 − y Sr y F 3 − y modification in the range y = 0.05–0.10 has been observed for the first time. This transition correlates with the maximum of fluorine-ion conductivity ( y = 0.05 ± 0.02) and the maximum in the melting curve ( y = 0.07 ± 0.03). β-LaF 3 and β-La 0.95 Sr 0.05 F 2.95 crystals belong to the trigonal system (sp. gr. \(P\bar 3c1\) , Z = 6) and are twinned according to the merohedral twin law. Fine changes in the fluorine sublattice of β-La 0.95 Sr 0.05 F 2.95 increase conductivity σ 293K to 3 × 10 −4 S/cm; hence, these crystals can be used as fluorine-conducting solid electrolytes (FCSEs) in solid-state ionics devices. Additional possibilities of ion transport over twin joints are discussed. In α-La 0.85 Sr 0.15 F 2.85 crystal the symmetry group changes to P 6 3 / mmc , Z = 2; it is not twinned and its fluorine-ion conductivity is reduced.
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    Erratum to: “Melt flow effect on interface stability during directional solidification” (2015)
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    Erratum to: “Methods for calculating X-ray diffuse scattering from a crystalline medium with spheroidal quantum dots” (2015)
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    Crystallization and preliminary X-ray diffraction study of porcine carboxypeptidase B (2015)
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    Description: Crystals of porcine pancreatic carboxypeptidase B have been grown in microgravity by the capillary counter-diffusion method through a gel layer. The X-ray diffraction study showed that the crystals belong to sp. gr. P 4 1 2 1 2 and have the following unit-cell parameters: a = b = 79.58 Å, c = 100.51 Å; α = β = γ = 90.00°. The X-ray diffraction data set suitable for the determination of the three-dimensional structure at atomic resolution was collected from one of the grown crystals at the SPring 8 synchrotron facility to 0.98 Å resolution.
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    Structural and electrophysical properties of In 0.52 Al 0.48 As/In 0.53 Ga 0.47 As/In 0.52 Al 0.48 As/InP HEMT nanoheterostructures with different combinations of InAs and GaAs inserts in quantum well (2015)
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    Description: A complex investigation of structural and electrical properties of In 0.52 Al 0.48 As/In y Ga 1 − y As/In 0.52 Al 0.48 As nanoheterostructures on InP substrates containing thin InAs and GaAs inserts in a quantum well (QW) has been performed. The GaAs nanolayers are grown at the QW boundaries between InGaAs and InAlAs layers, while the double InAs inserts are grown in InGaAs layers symmetrically with respect to the QW center. The layer and interface structures have been studied by transmission electron microscopy. It is shown that, when using the proposed epitaxial growth conditions, the introduction of ∼1.2-nm-thick InAs nanoinserts into the InGaAs QW and a ∼1-nm-thick GaAs nanobarrier at the QW boundaries does not induce structural defects. The diffusion of the InAlAs/InGaAs interface (2–3 monolayers) and InAs/InGaAs nanoinsert interface (1–2 monolayers) has been estimated. Measured Hall mobilities and electron concentrations in structures with different combinations of InAs and GaAs inserts have been analyzed using calculated energy band diagrams and electron density distributions. It is found that the photoluminescence spectra of the structures under study have differences caused by specific structural features of coupled QWs (specifically, the change in the In molar fraction due to InAs inserts and the change in the QW thickness due to GaAs transition barriers.
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    Main features of nucleation in model solutions of oral cavity (2015)
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    Description: The regularities of nucleation in model solutions of oral cavity have been investigated, and the induction order and constants have been determined for two systems: saliva and dental plaque fluid (DPF). It is shown that an increase in the initial supersaturation leads to a transition from the heterogeneous nucleation of crystallites to a homogeneous one. Some additives are found to enhance nucleation: HCO 3 − 〉 C 6 H 12 O 6 〉 F − , while others hinder this process: protein (casein) 〉 Mg 2+ . It is established that crystallization in DPF occurs more rapidly and the DPF composition is favorable for the growth of small (52.6–26.1 μm) crystallites. On the contrary, the conditions implemented in the model saliva solution facilitate the formation of larger (198.4-41.8 μm) crystals.
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    Iron-rich bustamite from Broken Hill, Australia: The crystal structure and cation-ordering features (2015)
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    Description: A specimen of iron-rich bustamite from the Broken Hill deposit (Australia) has been studied by single-crystal X-ray diffraction and by Mössbauer and IR spectroscopy. The triclinic unit-cell parameters are as follows: a = 7.1301(4) Å, b = 7.6940(3) Å, c = 7.7345(4) Å, α = 79.352(4)°, β = 62.951(6)°, γ = 76.149(3)°, V = 365.49(3) Å 3 , sp. gr. \(P\bar 1\) . The structure is solved by direct methods and refined to R = 5.22% based on 7298 reflections with | F | 〉 4σ( F ). The mineral under study is similar in composition and structure to the Fe-rich bustamite described earlier. It is found that all iron atoms are in the divalent state and occupy the M 1 and M 3 sites in a ratio of 33: 67. The idealized formula of iron-rich bustamite from Broken Hill ( Z = 1) is Mn 2 Ca 2 (Fe,Mn)Ca[Si 3 O 9 ] 2 .
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    Erratum to: “Role of strong magnetoelastic interaction in multiferroics materials: Semiconductor CuCrO 2 and insulator CaMn 7 O 12 ” (2015)
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    On the nature of the orientational effect of ultrasound on nematic liquid crystal (2016)
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    Description: Experimental substantiation of the validity of the model of orientational distortion in a homeotropic layer of nematic liquid crystal under an ultrasonic beam with a sharp boundary is presented for the first time. The model is constructed within the concepts of nonequilibrium thermodynamics and statistical hydrodynamics, taking into account the processes of structural relaxation of the mesophase. It establishes the relationship between the characteristics specifying the homeotropic structure deformation (layer thickness, ultrasound frequency, parameters of the molecular micromodel of liquid crystal, and its material constants) and the layer transparency for a linearly polarized light beam. The calculation results are compared with the experimental data in the frequency range of 0.1–3 MHz.
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    Specific features of optical activity in various uniaxial crystals (2016)
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    Description: The influence of the antisymmetric part of the gyration pseudotensor on the characteristics of reflected and transmitted light has been considered for crystals of classes 3, 4, and 6. The results are compared with the corresponding data for crystals of classes 32, 422, and 622 with a symmetric gyration pseudotensor. Specific features of the optical activity in crystals of classes 3 m , 4 mm , and 6 mm with an antisymmetric gyration pseudotensor have been studied. Crystals of classes \(\bar 42m\) and \(\bar 4\) with the symmetric gyration pseudotensor of an unusual form have been considered. The polarization azimuth and ellipticity of the reflected and transmitted light are calculated for these crystals at different angles of incidence.
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    Production of complex rubidium and cesium hydrogen sulfate‒phosphates (2016)
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    Description: The solubility in the CsH 2 PO 4 ‒CsHSO 4 ‒H 2 O system at different temperatures (25, 50, and 75°C) is studied and the phase equilibria in the Rb 3 H(SO 4 ) 2 ‒RbH 2 PO 4 ‒H 2 O system under isothermal conditions (at 25°C) are analyzed. The temperature and concentration conditions for forming Rb 2 (HSO 4 )(H 2 PO 4 ), Rb 4 (HSO 4 ) 3 (H 2 PO 4 ), Cs 4 (HSO 4 ) 3 (H 2 PO 4 ), Cs 3 (HSO 4 ) 2 (H 2 PO 4 ), Cs 2 (HSO 4 )(H 2 PO 4 ), and Cs 6 H(HSO 4 ) 3 (H 2 PO 4 ) 4 compounds (the latter has been obtained for the first time) are determined. The conditions for growing large single crystals of complex acid rubidium and cesium salts are found.
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    X-ray diffraction studies of the Tl(GaS 2 ) 1–x (InSe 2 ) x solid solutions (2016)
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    Description: The unit-cell parameters of crystals obtained in the Tl(GaS 2 ) 1– x (InSe 2 ) x system are measured by X-ray diffraction. The relationship between these parameters and composition is determined. It is shown that, with growing x , the a , b , and c parameters increase and the β angle decreases. Two types of solid solutions are found in the Tl(GaS 2 ) 1– x (InSe 2 ) x system: one is based on compound TlGaS 2 with monoclinic structure and the other is based on TlInSe 2 with tetragonal structure.
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    Magnetic whiskers of p-aminobenzoic acid and their use for preparation of filled and microchannel silicone rubbers (2016)
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    Description: A thin cobalt layer has been formed on the surface of p-aminobenzoic acid whiskers by chemical vapor deposition (CVD). The metallized crystals have been oriented in liquid polydimethylsiloxane rubber by applying a dc magnetic field. After vulcanization, the filler has been removed by processing in an alcohol solution of trifluoroacetic acid. The cobalt deposition on the surface of the organic compound and the properties of metallized whiskers are investigated by optical microscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM).
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    Synthesis and structure of a 2D Zn complex with mixed ligands stacked in offset ABAB manner (2016)
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    Description: The title complex, {[Zn(ODIB) 1/2 ( bpdc )]·2DMF} n was prepared under hydrothermal conditions (dimethylformamide and water) based on two ligands, namely, 1,1′-oxy-bis[3,5-diimidazolyl-benzene] (ODIB) and biphenyldicarboxylic acid (H 2 bpdc ). ODIB ligands link Zn cations to give layers in crystal. bpdc 2– anions coordinate to Zn atoms, however, their introduction does not increase the dimension of the structure. Each layer is partially passes through the adjacent layers in the offset ABAB manner.
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    Effect of charge memory in organic composites (2016)
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    Description: The effect of charge memory in composites based on polymer molecules has been investigated. Resistive switchings in sandwich samples prepared by lamination from commercially available polymers (polystyrene and poly(2,3-dihydrothieno-1,4-dioxine)-poly(styrene sulphonate) are analyzed. It is shown that the characteristic switching times in the composite samples reach several nanoseconds and the number of switchings exceeds 10 6 . Switchings are observed in electric fields much below the breakdown threshold, which indicates the absence of destructive processes in the polymer.
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    Structure of Gd 0.95 Bi 0.05 Fe 3 (BO 3 ) 4 single crystals at 293 and 90 K (2016)
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    Description: The structure of GdFe 3 (BO 3 ) 4 single crystals has been studied by X-ray diffraction at 293 and 90 K. The crystals are grown from a flux in the Bi 2 Mo 3 O 12 –B 2 O 3 –Li 2 MoO 4 –Gd 2 O 3 –Fe 2 O 3 system. The results of chemical analysis and structural study show that these crystals contain bismuth as an impurity. It is found that bismuth atoms are located at gadolinium sites in the structure. A decrease in the temperature is accompanied by a lowering of the symmetry from sp. gr. R 32 (at 293 K) to sp. gr. P 3 1 21 (at 90 K). The presence of two types of iron chains with different geometries at 90 K promotes a change in the magnetic properties of these crystals with a decrease in the temperature.
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    Structure and mechanical properties of foils made of nanocrystalline beryllium (2016)
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    Description: The phase composition and structural features of (45–90)-μm-thick foils obtained from nanocrystalline beryllium during multistep thermomechanical treatment have been established using electron microscopy, electron diffraction, electron backscattering diffraction, and energy-dispersive analysis. This treatment is shown to lead to the formation of a structure with micrometer- and submicrometer-sized grains. The minimum average size of beryllium grains is 352 nm. The inclusions of beryllium oxide (ВеО) of different modifications with tetragonal (sp. gr. P 4 2 / mnm ) and hexagonal (sp. gr. P 6 3 / mmc ) lattices are partly ground during deformation to a size smaller than 100 nm and are located along beryllium grain boundaries in their volume, significantly hindering migration during treatment. The revealed structural features of foils with submicrometer-sized crystallites provide the thermal stability of their structural state. Beryllium with this structure is a promising material for X-ray instrument engineering and for the production of ultrathin (less than 10 μm) vacuum-dense foils with very high physicomechanical characteristics.
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    Crystal and molecular structure of 2,2’-(quinoxaline-2,3-diyl)dipyridinium dinitrate (H 2 L )(NO 3 ) 2 (2016)
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    Description: The crystal structure of 2,2’-(quinoxaline-2,3-diyl)dipyridinium dinitrate (Н 2 L )(NO 3 ) 2 is studied by X-ray diffraction ( T = 150 K, R 1 = 0.0467). The H 2 L 2+ cation is located on the twofold rotation axis and connected with two NO 3 − anions by strong N–H···O hydrogen bonds. Planar quinoxaline fragments of cations form stacks with the interplanar spacing of 3.308 Å. The structure of the diprotonated H 2 L 2+ cation is compared with those of the monoprotonated H 2 L 2+ cation and neutral L molecule.
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    Influence of the antisymmetric part of gyration pseudotensor on the characteristics of transmitted light in biaxial crystals (2016)
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    Description: The influence of the antisymmetric part of gyration pseudotensor on the characteristics of transmitted light have been investigated for biaxial crystals. Analytical expressions for the optical rotation in the direction of optical axis are obtained with allowance for both the symmetric and antisymmetric parts of gyration pseudotensor. The polarization azimuth and transmitted light ellipticity have been calculated at different angles of incidence.
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    Radiation resistance of endohedral metallofullerenols under neutron irradiation (2016)
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    Description: The endohedral metallofullerenols Me @C 2 n (OH) 38–40 + C 2 n (OH) 38–40 ( Me = Tb, Sc, Gd, Fe, Pr, Mo) have been obtained and their radiation resistance under irradiation by a neutron flux of 8 × 10 13 cm –2 s –1 has been studied. The factors affecting the radiation resistance of endohedral metallofullerenols are discussed.
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    Synthesis and radiation resistance of fullerenes and fullerene derivatives (2016)
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    Description: The parameters of an electric-arc facility for the synthesis of fullerenes and endohedral metallofullerenes are optimized. The resistance of С 60 and С 70 fullerenes and С 60 (ОН) 30 and С 70 (ОН) 30 fullerenols against neutron irradiation is studied. It is established that the radiation resistance of the fullerenes is higher than that of the fullerenols, but the radiation resistance of the Gd@C 2 n endometallofullerenes is lower than that of the corresponding Gd@C 2 n (OH) 38 fullerenols. The radiation resistance of mixtures of Ме@C 2 n (OH) 38 ( Me = Gd, Tb, Sc, Fe, and Pr) endometallofullerenes with C 60 (OH) 30 is determined. The factors affecting the radiation resistance of the fullerenes and fullerenols are discussed.
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    Peculiarities of section topograms for the multiple diffraction of X rays (2016)
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    Description: The distortion of interference fringes on the section topograms of single crystal due to the multiple diffraction of X rays has been investigated. The cases of the 220 and 400 reflections in a silicon crystal in the form of a plate with a surface oriented normally to the [001] direction are considered both theoretically and experimentally. The same section topogram exhibits five cases of multiple diffraction at small azimuthal angles for the 400 reflection and Mo K α radiation, while the topogram for the 220 reflection demonstrates two cases of multiple diffraction. All these cases correspond to different combinations of reciprocal lattice vectors. Exact theoretical calculations of section topograms for the aforementioned cases of multiple diffraction have been performed for the first time. The section topograms exhibit two different distortion regions. The distortions in the central region of the structure are fairly complex and depend strongly on the azimuthal angle. In the tails of the multiple diffraction region, there is a shift of two-beam interference fringes, which can be observed even with a laboratory X-ray source.
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    On the existence of declared 9 R phase in Fe–Ni invar alloy (2016)
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    Description: An analysis of recently reported electron diffraction patterns suggests that metastable austenitic Fe–32Ni alloy subjected to α → γ transformation upon slow heating does not exhibit any signs of formation of the 9 R phase; the conventional nanocrystalline γ phase with an fcc lattice is formed instead. Extended lamellae with a layered structure, erroneously identified as a new phase of the (3 R + 9 R ) type in Fe–32Ni alloy, are conventional twinning (midrib) regions of each initial α crystal, in which γ-phase twin nanolamellae are formed upon heating.
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    Erratum to: “Point defects and dichroism in langasite and langatate crystals” (2016)
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    Na 3 Tb 3 [Si 6 O 18 ] · H 2 O, a synthetic analogue of microporous mineral gerenite (2016)
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    Publication Date: 2016-07-30
    Description: Crystals of a new silicate, Na 3 Tb 3 [Si 6 O 18 ] · H 2 O, space group \(P\bar 1\) , are obtained under hydrothermal conditions. The formula of the compound is determined in the course of structure solution. The silicate is a synthetic analogue of the gerenite mineral (Ca 1.21 Na 0.57 )(Y 2.24 Dy 0.68 )Si 6 O 18 · 2H 2 O, whose structure contains six-membered rings formed by SiO 4 tetrahedra. The [Si 6 O 18 ] rings are connected by TbO 6 octahedra into a mixed microporous framework with voids filled by Na atoms and water molecules. The new silicate differs from gerenite by the occupation of the Ca position by Na atoms and population of the pores sandwiched between six-membered rings. By virtue of conditions of hydrothermal synthesis in the absence of Ca and excess of Na in the system, an additional Na position appears in the void. It is populated statistically, and in gerenite it was occupied by water molecules only. In the new structure, the position of water is split into two statistically populated positions. The inclusion of Na atoms in additional positions in framework pores and their high thermal vibrations are indicative of ion-exchange properties of the structure. Possible paths of ion exchange are discussed.
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    Crystal structure and packing analysis of nitrofurantoin N,N-dimethylformamide solvate (2016)
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    Publication Date: 2016-07-30
    Description: The N, N′-dimethylformamide solvated crystal of the drug nitrofurantoin has been prepared and analysed by single-crystal X-ray diffraction. The two co-crystallized molecules, in the 1 : 1 stoichiometric ratio, are linked by a medium/strong N–H···O hydrogen bond (N···O is 2.759 (3) Å) and a weaker C–H···O interaction to form isolated supramolecular adducts, that in turn are packed into the lattice framework mainly through C–H···O hydrogen bonds. Two-dimensional fingerprint plots of Hirshfeld surfaces are used to visualize, analyze and compare intermolecular interactions found in the title compound and in similar structures.
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    P -wave ray velocities and the inverse acoustic problem for anisotropic media (2016)
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    Publication Date: 2016-07-30
    Description: The specific features of the calculation of ray velocities of quasi-longitudinal waves in anisotropic media have been considered. A technique for calculating elastic constants using P -wave ray velocities measured in an ultrasonic experiment on spherical samples is presented. It is shown by an example of tabular data that elastic constants С 11 , С 22 , and С 33 and combinations of constants ( С 12 + 2 С 66 ), ( С 13 + 2 С 55 ), ( С 23 + 2 С 44 ), ( С 14 + 2 С 56 ), ( С 25 + 2 С 46 ), and ( С 36 + 2 С 45 ) can be calculated most accurately for the general case of anisotropic media with elastic properties of arbitrary symmetry. Since the determining system of equations is illconditioned, the values of elastic constants entering these combinations depend on the choosed initial approximation.
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    Nitrilotris(methylenephosphonato)potassium K[μ 6 -NH(CH 2 PO 3 ) 3 H 4 ]: Synthesis, structure, and the nature of the K–O chemical bond (2016)
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    Publication Date: 2016-07-30
    Description: The crystal structure of nitrilotris(methylenephosphonato)potassium K[μ 6 -NH(CH 2 PO 3 ) 3 H 4 ]—a three-dimensional coordination polymer—was determined. The potassium atom is coordinated by seven oxygen atoms belonging to the six nearest ligand molecules, resulting in distorted monocapped octahedral coordination geometry. The complex contains the four-membered chelate ring K–O–P–O. The K–O chemical bond is predominantly ionic. Meanwhile, the bonds of the potassium atom with some oxygen atoms have a noticeable covalent component. In addition to coordination bonds, the molecules in the crystal packing are linked by hydrogen bonds.
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    Structural phase transition in CuFe 2 O 4 spinel (2013)
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    Publication Date: 2013-09-17
    Description: A structural transition with a reduction in symmetry of the high temperature cubic phase (sp. gr. Fd 3 m ) to the tetragonal phase (sp. gr. I 4 1 / amd ) and the appearance of a ferrimagnetic structure occur in CuFe 2 O 4 copper ferrite at T ≈ 440°C. It is established by an experiment on a high-resolution neutron diffractometer that the temperature at which long-range magnetic order occurs is higher than that of tetragonal phase formation. When cooling CuFe 2 O 4 spinel from 500°C, the equilibrium coexistence of both phases is observed in a fairly wide temperature range (∼40°C). The composition studied is a completely inverse spinel in the cubic phase, and in the tetragonal phase the inversion parameter does not exceed few percent ( x = 0.06 ± 0.04). At the same time, the phase formed upon cooling has a classical value of tetragonal distortion (γ ≈ 1.06). The character of temperature changes in the structural parameters during the transition from cubic to tetragonal phase indicates that this transition is based on the Jahn-Teller distortion of (Cu,Fe)O 6 octahedra rather than the mutual migration of copper and iron atoms.
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    New concept of the origin of life on earth (2013)
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    Publication Date: 2013-09-17
    Description: A model of coupled autocatalytic reactions with allowance for the crystallization of diastereomer is considered. It is shown that the differences in the physical properties of diastereomers can be a 100% enantioselective factor, which makes it possible to obtain a significant chiral polarization even at low autocatalysis enantioselectivity. In terms of a complicated model, more complex molecules should have a higher chiral polarization than simpler ones. The calculation of the dynamics of the model under consideration shows that the presence of binomial coefficients in the reaction of pair formation from two different enantiomers (provided that diastereomers have identical properties) leads to the occurrence of an additional 100% enantioselective factor. Estimation shows that the theoretical difference between the right- and left-handed molecules (which is due to weak interaction), described in the literature, is sufficient to explain the directed symmetry breaking and construction of biological molecules from L -amino acids and D -sugars at the origin of life on earth.
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    Theory of X-Ray diffuse scattering from a crystal with pores in the form of triangular prisms (2013)
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    Publication Date: 2013-09-17
    Description: A theory of X-ray diffuse scattering (XRDS) from a crystal with pores in the form of triangular prisms has been developed. Solutions for the static Debye-Waller factor, intrinsic correlation function, and the correlation volume (which characterizes the XRDS angular distribution in reciprocal space) are obtained within this model. A numerical simulation of reciprocal space maps of X-ray diffuse scattering is performed. The influence of pore-size fluctuations on the formation of XRDS intensity isolines is demonstrated.
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    Coloring elimination in Sr 1 − x Ce x F 2 + (2013)
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    Publication Date: 2013-09-17
    Description: Crystals of the Sr 1 − x Ce x F 2 + x compositions close to the congruent one ( x ∼ 0.3) are fabricated by the vertical directional crystallization. It is shown that the use of CF 4 to form a fluorinating atmosphere during growth leads to additional spurious absorption in the crystals in the range 350–600 nm. The use of PbF 2 and ZnF 2 for fluorination makes it possible to obtain colorless Sr 1 − x Ce x F 2 + x crystals of the desired optical quality from melt. The thermal conductivity of crystal with x ∼ 0.28 in the temperature range 80-500 K lies within 1.50 ± 0.03 W m −1 K −1 . High ionic conductivity makes the Sr 1 − x Ce x F 2 + x crystals promising for application in solid-state ionics.
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    Crystal-structure refinement of zirconium-rich eudialyte and its place among calcium-poor eudialyte-group minerals (2013)
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    Publication Date: 2013-09-17
    Description: The repeated refinement of the crystal structure of zirconium-rich eudialyte based on the X-ray diffraction data set collected earlier revealed new structural features. The trigonal unit-cell parameters are a = 14.222(3) Å, c = 30.165(5) Å, V = 5283.9 Å 3 . The refinement resulted in the reduction of the R factor from 0.045 (2347 F 〉 4σ( F )) to 0.035 (3124 F 〉 3σ( F )). It was found that the ordering of Ca and Fe in six-membered rings leads to the lowering of the symmetry to R 3. An excess amount of zirconium (more than three atoms per symmetrically independent unit) is located in the M 2 microregion in square and five-vertex polyhedral positions. However, this amount is insufficient to be dominant, and the deficiency of zirconium is compensated for by sodium atoms. Based on the new data, zirconium-rich eudialyte can be assigned to the oneillite subtype, being a zirconium-rich and aluminum variety of raslakite.
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    Formation of ultrasmooth thin silver films by pulsed laser deposition (2013)
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    Publication Date: 2013-09-17
    Description: Ultrasmooth thin silver films have been formed on a quartz substrate with a buffer yttrium oxide layer by pulsed laser deposition. The dependence of the surface morphology of the film on the gas (N 2 ) pressure in the working chamber and laser pulse energy is investigated. It is found that the conditions of film growth are optimal at a gas pressure of 10 −2 Torr and lowest pulse energy. The silver films formed under these conditions on a quartz substrate with an initial surface roughness of 0.3 nm had a surface roughness of 0.36 nm. These films can be used as a basis for various optoelectronics and nanoplasmonics elements.
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    Effect of growth conditions on the functional properties of K 2 Co(SO 4 ) 2 ·6H 2 O crystals (2013)
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    Publication Date: 2013-09-17
    Description: K 2 Co(SO 4 ) 2 · 6H 2 O single crystals of optical quality have been grown and the effect of solution pH on their solubility and transmission spectra has been investigated. A kinetic growth curve is obtained for the (110) face and the onset temperature of dehydration is established for single-crystal samples. The structural quality of single crystals grown at different supersaturations is analyzed.
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    Energy exchange between electromagnetic waves on the director diffraction grating in planar waveguide with nematic layer (2013)
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    Publication Date: 2013-09-17
    Description: The energy exchange between two coupled TE modes on the diffraction grating of the director in a planar waveguide containing a nematic liquid crystal layer is calculated. The diffraction grating is induced by an external electric field in the nematic layer with periodic anchoring energy at the waveguide surface. The intensity of the signal mode at the output of the nematic layer is calculated as a function of the amplitude and period of the anchoring-energy modulation, the nematic layer sizes, and the electric-field strength. The cases of modes with the same and opposite directions are considered. Analytical expressions for the maximum intensities of the signal mode are derived. In both cases the maximum intensity of the signal mode increases with an increase in the electric-field strength.
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    Relationship between the structure and luminescent properties for two crystal modifications of N -butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide (2013)
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    Publication Date: 2013-09-17
    Description: Two crystal modifications ( 1o and 1y ) of N -butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide, which differ in the color of crystals and the color of luminescence, have been studied by X-ray diffraction and spectral-luminescence methods. The corresponding bond lengths and bond angles in the molecules of two crystal modifications are virtually identical. In both crystal structures, there are two systems of weak intermolecular interactions: π-stacking interactions and -CN…H-N hydrogen bonds involving nitrile and NH groups. In the crystal structures, two hydrogen bonds connect pairs of molecules into centrosymmetric dimers. The N…H distances are 2.21 and 2.41 Å in 1o and 1y , respectively. The interplanar distances in the π-stacked systems of 1o and 1y are 3.33 and 3.41 Å, respectively. Both types of weak interactions are stronger in 1o than in 1y , which accounts for a larger shift of absorption and luminescence bands for the former compound.
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    Bifurcation magnetic resonance in films with differently oriented crystallographic axes (2013)
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    Publication Date: 2013-09-17
    Description: The magnetization dynamics in single-crystal films with cubic anisotropy has been investigated based on numerical simulation. It is shown that the application of an in-plane bias magnetic field along hard magnetization axes gives rise to an additional (bifurcation) resonance, which is due to the existence of bistability, i.e., two closely located equilibrium magnetization states. The specific features of bifurcation resonance are revealed in films with the three main crystallographic orientations: (100), (110), and (111). Changes in the resonance range and corresponding dynamic modes with a change in the ac field frequency are investigated. States of dynamic bistability and multistability are obtained in the bifurcation resonance range.
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    Investigation into the growth and structure of thin-film solid solutions of iron-based superconductors in the FeSe 0.92 -FeSe 0.5 Te 0.5 system (2013)
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    Publication Date: 2013-09-17
    Description: Thin films of FeSe 0.92 and FeSe 0.5 Te 0.5 iron chalcogenide superconductors and solid solutions containing these components in different ratios have been grown on the surface of LaAlO 3 (10 $\bar 1$ 2) crystals by pulsed laser deposition. Films of solid solutions have been deposited by simultaneous laser ablation from two targets of the FeSe 0.92 and FeSe 0.5 Te 0.5 stoichiometric compositions onto one substrate. An X-ray diffraction study of the film structure shows that the films grown are epitaxial and their lattice parameters regularly vary with the ratio of the deposited components, which was controllably varied by changing the ablation intensities from the targets.
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    Composition, structure, and properties of iron-rich nontronites of different origins (2013)
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    Publication Date: 2013-04-10
    Description: The composition, structure, and properties of smectites of different origins have been studied by X-ray diffraction, IR spectroscopy, scanning electron microscopy, and microprobe analysis. The results showed that nontronites of different origins differ in composition, properties, morphology, and IR spectroscopic characteristics. Depending on the degree of structural order and the negative charge of iron-silicate layers in nontronites, the shift of the 001 reflection to smaller angles as a result of impregnation with ethylene glycol (this shift is characteristic of the smectite group) occurs differently. The calculated values of the parameter b (from 9.11 to 9.14Å) are valid for the extreme terms of dioctahedral smectite representatives: nontronites.
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    Anisotropy of the ionic conductivity of CsCu 2 Cl 3 single crystals (2013)
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    Publication Date: 2013-04-10
    Description: The conductivity of CsCu 2 Cl 3 single crystals (orthorhombic system, sp. gr. Cmcm ) has been investigated for different electric-field directions, perpendicular to the crystallographic c axis and along it, in the temperature range 390–530 K. The increase in conductivity with temperature is due to the ion-carrier transport with activation energies E a = 0.65 and 0.80 eV for the directions perpendicular to and along the crystallographic axis, respectively. The anisotropy of the crystal ionic conductivity is found to be σ ⊥ c /σ ∥ c ≈ 40 at 435 K. The thermally activated contribution to the conductivity in the CsCu 2 Cl 3 structure is determined by the transport of Cu + ions.
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    In silico analysis of the three-dimensional structures of the homodimer of uridine phosphorylase from Yersinia Pseudotuberculosis in the ligand-free state and in a complex with 5-fluorouracil (2013)
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    Publication Date: 2013-04-10
    Description: Pseudotuberculosis is an acute infectious disease characterized by a lesion of the gastrointestinal tract. A positive therapeutic effect can be achieved by selectively suppressing the activity of uridine phosphorylase from the causative agent of the disease Yersinia pseudotuberculosis . The synergistic effect of a combination of the chemotherapeutic agent 5-fluorouracil and antimicrobial drugs, which block the synthesis of pyrimidine bases, on the cells of pathogenic protozoa and bacteria is described in the literature. The three-dimensional structures of uridine phosphorylase from Yersinia pseudotuberculosis ( Ypt UPh) both in the ligand-free state and in complexes with pharmacological agents are unknown, which hinders the search for and design of selective inhibitors of Ypt UPh. The three-dimensional structure of the ligand-free homodimer of Ypt UPh was determined by homology-based molecular modeling. The three-dimensional structure of the subunit of the Ypt UPh molecule belongs to α/β proteins, and its topology is a three-layer α/β/α sandwich. The subunit monomer of the Ypt UPh molecule consists of 38% helices and 24% β strands. A model of the homodimer structure of Ypt UPh in a complex with 5-FU was obtained by the molecular docking. The position of 5-FU in the active site of the molecule is very consistent with the known data on the X-ray diffraction structures of other bacterial uridine phosphorylases (the complex of uridine phosphorylase from Salmonella typhimurium ( St UPh) with 5-FU, ID PDB: 4E1V and the complex of uridine phosphorylase from Escherichia coli ( Ec UPh) with 5-FU and ribose 1-phosphate, ID PDB: 1RXC).
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    Growth and structural, optical, and electrical properties of zincite crystals (2013)
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    Publication Date: 2013-04-10
    Description: An X-ray diffraction study of ZnO crystals grown by the hydrothermal method has revealed reflections that give grounds to assign them to the sp. gr. P 3 rather than to P 6 3 mc . The distribution of Zn1, Zn2, O1, and O2 over structural positions, along with vacancies and incorporated zinc atoms, explains the dissymmetrization observed in terms of the kinetic (growth) phase transition of the order-disorder type, which is caused by ordering Zn and O atoms over structural positions. The color of crystals of refined compositions (Zn 0.975 □ 0.025 )Zn i (0.015) (O 0.990 □ 0.010 ) (green) and (Zn 0.965 □ 0.035 )Zn i (0.035) O (bright green) is related to different oxygen contents, which is confirmed by the results of electron probe X-ray microanalysis and absorption spectroscopy. The degree of the structural quality of crystals, their resistivity, and activation energy are also related to oxygen vacancies.
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    Algorithm and computer-program search for variants of polyomino packings in plane (2013)
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    Publication Date: 2013-09-17
    Description: An algorithm and a computer program that can be used in the search for all possible periodic packings of a specified set of polyominoes with a specified packing factor have been developed. The algorithm is based on the method of discrete modeling of molecular packings.
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    Nanostructured crystals of fluorite phases Sr 1− x R (2013)
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    Publication Date: 2013-09-17
    Description: A congruently melting single crystal of nonstoichiometric phase Sr 0.71 Ce 0.29 F 2.29 crystallizing into the CaF 2 structural type (sp. gr Fm $\bar 3$ m ) has been studied by X-ray diffraction analysis. Vacancies in the main fluorine position 8 c and interstitial anions in two 32 f positions have been found. The ratio of the structural defects in the Sr 0.71 Ce 0.29 F 2.29 solid solution corresponds to the tetrahedral configuration of the defect cluster {Sr 4 − n Ce n F 26 }.
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    Yttrium barium heptaoxocobaltate YBaCo 4 O 7+δ : Refinement of the structure and determination of the composition (2013)
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    Publication Date: 2013-09-17
    Description: Parameters of the crystal structure of compound YBaCo 4 O 7 are refined. The experimental data [3917 reflections measured, 469 unique I hkl , and 420 observed reflections with I 〉 2σ( I )] are obtained on a Bruker X8APEX automated diffractometer equipped with a CCD detector [Mo K α , graphite monochromator, θ max = 33.09°, space group P 6 3 mc , a = 6.3058(4) Å, c = 10.2442(7) Å, V = 352.77 Å 3 , Z = 2, d calcd = 5.404 g/cm 3 , R 1 = 0.0183 for 420 observed reflections and 0.0216 for all unique reflections]. The refinement shows that the occupancy factors of all sites of the space group correspond within three standard deviations to the standard values, that is, to the Y: Ba: Co: O = 1: 1: 4: 7 whole-number ratio of elements in the formula of the compound and to the absence of an aluminum impurity in the crystal.
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    Structural regularities of helicoidally-like biopolymers in the framework of algebraic topology: II. α-Helix and DNA structures (2013)
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    Publication Date: 2013-09-17
    Description: The developed apparatus of the “structural application” of algebraic geometry and topology makes it possible to determine topologically stable helicoidally-like packings of polyhedra (clusters). A packing found is limited by a minimal surface with zero instability index; this surface is set by the Weierstrass representation and corresponds to the bifurcation point. The symmetries of the packings under consideration are determined by four-dimensional polyhedra (polytopes) from a closed sequence, which begins with diamondlike polytope {240}. One example of these packings is a packing of tetrahedra, which arises as a result of the multiplication of a peculiar starting aggregation of tetrahedra by a fractional 40/11 axis with an angle of helical rotation of 99°. The arrangement of atoms in particular positions of this starting aggregation allows one to obtain a model of the α-helix. This apparatus makes it possible to determine a priori the symmetry parameters of DNA double helices.
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    Quantum levitation of nanoparticles seen with ultracold neutrons (2013)
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    Publication Date: 2013-09-17
    Description: Analyzing new experiments with ultracold neutrons ( UCNs ) we show that physical adsorption of nanoparticles/nanodroplets, levitating in high-excited states in a deep and broad potential well formed by van der Waals/Casimir-Polder ( vdW/CP ) forces results in new effects on a cross-road of the fields of fundamental interactions, neutron, surface and nanoparticle physics. Accounting for the interaction of UCNs with nanoparticles explains a recently discovered intriguing so-called “small heating” of UCNs in traps. It might be relevant to the striking conflict of the neutron lifetime experiments with smallest reported uncertainties by adding false effects there.
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    Crystal structures of bis(cyanido)bis( N , N ′-diethylthiourea-κ S ) mercury(II) and bis(cyanido)bis( N , N ′-dipro (2013)
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    Publication Date: 2013-09-17
    Description: Two mercury(II) complexes containing cyanide and, N , N ′-diethylthiourea ( detu ) and N , N ′-dipropylthiourea ( dprtu ) ligands, [( detu ) 2 Hg(CN) 2 ] ( 1 ) and [( dprtu ) 2 Hg(CN) 2 ] ( 2 ), respectively, have been prepared and characterized by X-ray crystallography. In the both complexes Hg atom lies on a 2-fold rotation axis, and is coordinated to the sulfur atoms of two thiourea ligands and to two cyanide carbon atoms. Both have a distorted tetrahedral environment with bond angles about the Hg atoms in the range of 93.41(4)°–146.75(19)°. In the crystal structures symmetry related molecules are linked via N-H-N hydrogen bonds resulting in the formation of a two-dimensional network in 1 , while in 2 a double stranded one-dimensional chain is formed.
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    Synthetic shibkovite K(K 1.67 H 2 O 0.33 )(Ca 1.3 Na 0.7 )[Zn 3 Si 12 O 30 ]: the crystal structure and comparative crystal chemistry (2015)
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    Publication Date: 2015-01-23
    Description: The structure of a single crystal of a synthetic analog of mineral shibkovite K(K 1.67 H 2 O 0.33 )(Ca 1.3 Na 0.7 )[Zn 3 Si 12 O 30 ] (milarite structure type) obtained by hydrothermal synthesis in the AlPO 4 -K 3 PO 4 -CaCO 3 -Na 2 CO 3 -ZnCO 3 -SiO 2 -H 2 O system has been solved ( R = 0.0406) by X-ray diffraction analysis: a = 10.5327(2) Å, c = 14.2019(3) Å, sp. gr. P6 / mcc , Z = 2, and ρ calcd = 2.90 g/cm 3 . The crystal-chemical features of the new phase are studied in comparison with the other terms of the milarite group. It is shown that the crystallization conditions for minerals and synthetic analogs of this group determine the presence or absence of crystallization water in the structures of compounds.
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    Crystal structures of nitrato-{2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo}aquacopper and chloro-{2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo}copper (2015)
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    Publication Date: 2015-01-23
    Description: Two crystal modifications of nitrato-{2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo}aquacopper ( I and II ) and two modifications of chloro-{2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo}copper ( III and IV ) have been synthesized and studied by X-ray diffraction. In structures I and II , the copper atoms coordinate a monodeprotonated molecule of the organic ligand, nitrate ions, and a water molecule. In crystals of I , the complexes are monomeric, whereas complexes II are linked via nitrate ions to form polymeric chains. In both structures the coordination polyhedron of the copper atom can be described as a distorted tetragonal bipyramid—(4 + 1 + 1) in I and (4 + 2) in II . These coordination polyherdra have different compositions. In structures III and IV , the metal atoms coordinate a monodeprotonated {2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazole molecule and chloride ions. In III the complex-forming ion has square-planar coordination geometry, whereas structure IV consists of centrosymmetric dimers with two bridging chlorine atoms. It was found that nitrato-{2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo}aquacopper possesses antitumor activity.
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  • 86
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    Modeling possible structural transitions in aluminum and lead nanoclusters (2015)
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    Publication Date: 2015-01-23
    Description: The boundaries of thermal stability of the initial fcc phase in aluminum and lead clusters up to 3 nm in diameter have been investigated by the method of molecular dynamics using a modified tight-binding potential TB-SMA. It is shown that in small Al and Pb clusters the initial fcc phase passes into different structural modifications due the temperature factor. The polytype transition temperature has been found to approach the cluster melting temperature with an increase in the nanoparticle size. It is established that geometric “magic” numbers play an important role in the formation of structure of Al clusters (in contrast to Pb clusters).
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  • 87
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    Study of the Radial Heterogeneity and Mosaic Microheterogeneity in KCNSH Mixed Crystals (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉Mixed crystals of potassium‒cobalt sulfate hexahydrate/potassium‒nickel sulfate hexahydrate (K〈sub〉2〈/sub〉Co(SO〈sub〉4〈/sub〉)〈sub〉2〈/sub〉 · 6H〈sub〉2〈/sub〉O/K〈sub〉2〈/sub〉Ni(SO〈sub〉4〈/sub〉)〈sub〉2〈/sub〉 · 6H〈sub〉2〈/sub〉O (KCNSH)) have been grown from a solution with an isomorphic-component ratio of KCSH : KNSH = 1 : 2. The presence of mosaic microheterogeneity in KCNSH crystals at a level of ∼2 at % is confirmed, and its dependence on supercooling is studied. The radial heterogeneity of KCNSH crystals is investigated as a function of the growth direction and rate. The heterogeneity of Co concentration in different samples is shown to vary from 0.2 to 0.8 wt %.〈/p〉 〈/span〉
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  • 88
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    On the Method of Constructing the Radial Distribution Function in the Structure of Amorphous Materials on the Basis of Diffraction Data (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉The method of constructing the radial distribution function, proposed by the authors previously, has been developed. The method includes calculation of the normalization factor and subtraction of the background caused by incoherent scattering in the amorphous material. Software is developed based on the proposed algorithms. The reported technique for processing the angular dependence of the scattered radiation intensity is approved on well-studied amorphous germanium and tungsten trioxide WO〈sub〉3〈/sub〉. This technique makes it possible to perform a reliable (accurate to few percent) normalization of intensity and determine the coordination number 〈em〉n〈/em〉〈sub〉1〈/sub〉 for an arbitrarily specified density of material, independent of the shape of the first coordination peak. In sum, a universal software tool has been elaborated, which makes it possible to investigate the structure of amorphous and polycrystalline inorganic materials by constructing the radial distribution functions, using diffraction of radiation of any type in these materials. All calculations are performed in the automatic mode.〈/p〉 〈/span〉
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  • 89
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    Growth and Some Physical Properties of Congruently Melting Fluorite Solid Solutions Crystals in the CaF 2 –SrF 2 – R F 3 ( R = La, Ce) Systems (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉Congruently melting Ca〈sub〉0.77〈/sub〉Sr〈sub〉0.07〈/sub〉La〈sub〉0.16〈/sub〉F〈sub〉2.16〈/sub〉 and Ca〈sub〉0.70〈/sub〉Sr〈sub〉0.11〈/sub〉Ce〈sub〉0.19〈/sub〉F〈sub〉2.19〈/sub〉 fluorite solid solutions crystals in the CaF〈sub〉2〈/sub〉–SrF〈sub〉2〈/sub〉–〈em〉R〈/em〉F〈sub〉3〈/sub〉 (〈em〉R〈/em〉 = La, Ce) systems have been grown from melt by the Bridgman technique in a fluorinating atmosphere. Their optical, mechanical, electrophysical, and thermophysical characteristics have been studied. The crystals are transparent in a wide spectral range; their refractive indices are 〈em〉n〈/em〉〈sub〉〈em〉D〈/em〉〈/sub〉 = 1.468 (〈em〉R〈/em〉 = La) and 1.479 (〈em〉R〈/em〉 = Ce), and their microhardness (〈em〉Н〈/em〉〈sub〉〈em〉V〈/em〉〈/sub〉 ∼ 5.0 GPa) and ionic conductivity (σ ∼ 3 × 10〈sup〉–3〈/sup〉 S/cm at 823 K) exceed significantly the corresponding values for CaF〈sub〉2〈/sub〉 and SrF〈sub〉2〈/sub〉 crystals. The materials under study are promising isomorphic-capacious crystalline matrices for various applications in photonics and solid-state ionics.〈/p〉 〈/span〉
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  • 90
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    Photoinduced Modulation of the Emission from СdSe/ZnS Quantum Dots by Photochromic Transformations of Diarylethenes (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉A spectral study of the interaction between the molecules of photochromic compounds of the diarylethene class and CdSe/ZnS quantum dots (QDs), in dependence of the structure and nature of functional substituents of photochromes, has been performed. It is shown that both chemical and physical interactions are accompanied by photoinduced modulation of QD emission as a result of photochromic transformations of diarylethenes caused by the inductive transfer of excitation energy from QDs to the diarylethene cyclic isomer.〈/p〉 〈/span〉
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  • 91
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    The Investigation of the Medieval Russian Bronze Reliquary Cross Pendant Using a Complex of Nondestructive Methods (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉The medieval Russian bronze reliquary cross pendant was investigated using a complex of nondestructive methods in order to determine the degree its integrity and identify the material filling its internal cavity. The metal composition is established. It is found that the cross material was subjected to spatially inhomogeneous corrosion and that the cavity is filled with soil. It is shown that application of complementary nondestructive methods provides the most reliable information on historical heritage objects.〈/p〉 〈/span〉
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  • 92
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    The Yttrium, Lanthanum, and Lanthanide Trifluorides: Internal Periodicity of Phase Transitions (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉Internal periodicity of phase transitions (fusion and polymorphism) has been revealed in trifluorides of Y, La, and 14 lanthanides. This periodicity is determined by the internal periodicity of filling of the 4〈em〉f〈/em〉-electron subshell of rare-earth elements (REEs, 〈em〉R〈/em〉), in which cerium 〈sup〉58〈/sup〉Се–〈sup〉64〈/sup〉Gd and terbium 〈sup〉65〈/sup〉Тb–〈sup〉71〈/sup〉Lu subsets can be selected. The lanthanide compression of ionic radii 〈em〉R〈/em〉〈sup〉3+〈/sup〉 (15% towards the smaller one) induces the formation of three structure types: LaF〈sub〉3〈/sub〉, β-YF〈sub〉3〈/sub〉, and α-YF〈sub〉3〈/sub〉 (α-UO〈sub〉3〈/sub〉). The formula volumes 〈em〉V〈/em〉〈sub〉form〈/sub〉 of REE trifluorides of the LaF〈sub〉3〈/sub〉 and β-YF〈sub〉3〈/sub〉 structure types only partially obey the internal periodicity of lanthanides with an increase in 〈em〉Z〈/em〉. The internal periodicity of the fusion and polymorphism of REE trifluorides (without ScF〈sub〉3〈/sub〉) divides 〈em〉R〈/em〉F〈sub〉3〈/sub〉 into four structural subgroups: 〈em〉A〈/em〉 (〈em〉R〈/em〉 = La–Nd), 〈em〉B〈/em〉 (〈em〉R〈/em〉 = Pm–Gd), 〈em〉C〈/em〉 (〈em〉R〈/em〉 = Tb–Ho), and 〈em〉D〈/em〉 (〈em〉R〈/em〉 = Er–Lu, Y), strictly specifying the percentage and elemental composition of each subgroup. The periodicity of the 〈em〉R〈/em〉F〈sub〉3〈/sub〉 polymorphism in the products manifests itself in the crystallization of the melts prone to supercooling in the form of a periodic change of single crystals with coarse- or fine-grained blocks of the low-temperature forms.〈/p〉 〈/span〉
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    Comparison of Transmission Electron Microscopy and X-Ray Reflectometry Data in the Study of the Structure of Silicon-Carbon Nanocomposite Films (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉Vanadium-doped diamond-like silicon-carbon films have been studied by X-ray reflectometry and transmission electron microscopy. A comparison of the data obtained has shown that the layered structure of the films is retained over an area of about 100 mm〈sup〉2〈/sup〉 at a total film thickness of 3–4 µm and layer thicknesses of 10–40 nm. The film surface has been examined by semi-contact probe microscopy. It is demonstrated that the root-mean-square roughness decreases by an order of magnitude (from 2.0 to 0.2 nm) with an increase in the vanadium content in the film from 12 to 17 at %.〈/p〉 〈/span〉
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    Optimization of the Compositions of Solid Electrolytes Cd 1 –   x R x F 2 +   x ( R = La–Lu, Y) with a Fluorite-Type Structure for Conductivity and Thermal Stability (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉Optimization of the compositions of Cd〈sub〉1–〈em〉x〈/em〉〈/sub〉〈em〉R〈/em〉〈sub〉〈em〉x〈/em〉〈/sub〉F〈sub〉2+〈em〉x〈/em〉〈/sub〉 nonstoichiometric phases (CaF〈sub〉2〈/sub〉 type, 〈em〉R〈/em〉 is a rare-earth element) for the ionic conductivity and thermal stability is based on the temperature measurements of the electrical conductivity of single crystals depending on the 〈em〉R〈/em〉〈sup〉3+〈/sup〉 ionic radii and 〈em〉R〈/em〉F〈sub〉3〈/sub〉 content and on the investigation of phase diagrams of the CdF〈sub〉2〈/sub〉–〈em〉R〈/em〉F〈sub〉3〈/sub〉 systems. It is shown that the conductivity of 20 compositions out of 30 studied Cd〈sub〉1–〈em〉x〈/em〉〈/sub〉〈em〉R〈/em〉〈sub〉〈em〉x〈/em〉〈/sub〉F〈sub〉2+〈em〉x〈/em〉〈/sub〉 crystals exceeds the conditional limit σ〈sub〉500K〈/sub〉 = 10〈sup〉–5〈/sup〉 S/cm, below which the use of solid electrolytes in electrochemical devices is believed to be undesirable because of low conductivity. The maximum conductivities σ〈sub〉500K〈/sub〉 = (3.0–3.2) × 10〈sup〉–4〈/sup〉 S/cm and σ〈sub〉293K〈/sub〉 = (1.5–2.3) × 10〈sup〉–8〈/sup〉 S/cm are observed for solid electrolytes with 〈em〉R〈/em〉 = Ho, Er, Tm, or Yb and 〈em〉x〈/em〉 = 0.22–0.27.〈/p〉 〈/span〉
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  • 95
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    Diffraction Efficiency of Mixed Transmission Holograms in a Photorefractive Optically Active Bi 12 TiO 20 Piezoelectric Crystal of Arbitrary Cut (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉The process of reading mixed transmission holograms formed in a photorefractive Bi〈sub〉12〈/sub〉TiO〈sub〉20〈/sub〉 piezoelectric crystal (sillenite family) of arbitrary cut has been theoretically optimized. The optimal crystal cuts, which provide the highest diffraction efficiency of holograms, are determined. The results of the theoretical analysis are based on the previously obtained experimental data; they are in agreement with the crystal point symmetry group and may serve as the basis for increasing the efficiency of dynamic holography devices with Bi〈sub〉12〈/sub〉TiO〈sub〉20〈/sub〉 crystals.〈/p〉 〈/span〉
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  • 96
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    Orientation Relationships and Lattice Misfit between a Nb Matrix and γ-Silicide in a Nb–Si Composite (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉Orientation relationships {110}〈sub〉Nb〈/sub〉||{100}γ and 〈111〉〈sub〉Nb〈/sub〉||〈001〉γ between the crystal lattices of the Nb solid solution and particles of γ-silicide Nb〈sub〉5〈/sub〉Si〈sub〉3〈/sub〉 were determined by transmission electron microscopy. The following two types of matching planes were found: {110}〈sub〉Nb〈/sub〉||{100}γ and {111}〈sub〉Nb〈/sub〉||{001}γ. The former planes form steps at an angle of 120°. The correctness of the calculated orientation relationships was confirmed and these relationships were compared with experimental electron diffraction patterns using methods of mathematical modeling, which enable one to obtain superimposed electron diffraction patterns of several phases and tilt the model crystal. An interface model in two sections was constructed. The morphology of the interface between the particle and the matrix was explained in terms of structural features. The lattice misfit between the matrix and γ-silicide was calculated.〈/p〉 〈/span〉
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    Electrochemical Emission during Discontinuous Creep of Aluminum‒Magnesium Alloy (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉It is experimentally established that the discontinuous creep of aluminum‒magnesium alloy AlMg6, deformed in an aqueous medium, is accompanied by discrete electrochemical emission: jumps of the sample electrode potential, which arise simultaneously with stress drops during the development of macroscopic step on the creep curve. It has been found (with the aid of high-speed video recording) that the electrode potential jump occurs simultaneously with nucleation and initial fast stage of deformation band widening. A possible mechanism of the occurrence of electrode potential jumps in an aluminum alloy under discontinuous creep conditions is discussed.〈/p〉 〈/span〉
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    Low-Temperature Crystallization of Germanium in the Thin-Film Ge/Al System (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract―〈/h3〉 〈p〉The crystallization of thin germanium films during vacuum thermal deposition on an aluminum surface has been investigated. Significant changes in the morphology and crystal structure of films in dependence of the formation temperature are demonstrated using atomic force microscopy and X-ray diffraction. The temperature ranges for growth of amorphous and polycrystalline germanium films are determined. It is shown that the decrease in the germanium crystallization temperature to 300°С is caused by the size effect and is explained within the metal-induced crystallization model.〈/p〉 〈/span〉
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    On Isotropic Points in Potassium Ammonium Sulphate Crystals (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉An effect of uniaxial pressure on the spectral and temperature dependences of birefringence of K〈sub〉1.75〈/sub〉[NH〈sub〉4〈/sub〉]〈sub〉0.25〈/sub〉SO〈sub〉4〈/sub〉 single crystals has been studied. Different changes in the birefringence are found for different compression directions. The possibility of the occurrence of isotropic points in the crystal under uniaxial compression is discussed. A decrease in the birefringence under crystal heating is established, and the positions of two isotropic points in the range of 290–630 K are determined. The partial isomorphic substitution of NH〈sub〉4〈/sub〉 ions for K ions was found to result in a shift of isotropic points to lower temperatures.〈/p〉 〈/span〉
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    Electron Microscopy of the Surface of Dental Implants and Metal-Containing Nanoparticles Obtained in Supernatants (2019)
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    Publication Date: 2019
    Description: 〈span〉 〈h3〉Abstract〈/h3〉 〈p〉The surface of two dental implant systems, “Nobel Biocare” and “Alpha BiO”, and metal-containing nanoparticles, isolated from the tissues surrounding dental implants, has been investigated. The implant surface structure, the elemental and phase composition of particles, and their arrangement in the granulation tissue have been studied by X-ray tomography, transmission and scanning electron microscopy, 〈em〉z〈/em〉-contrast scanning transmission microscopy, electron diffraction, and energy-dispersive mapping, using microscopes Quanta 200-3D, FEI Тechnai Osiris at an accelerating voltage of 200 kV, and an X-ray microtomograph TOMAC. An analysis of the relief indicates that the emission of nanoparticles from the “Alpha BiO” implant surface to the adjacent tissues is more likely than from the “Nobel Biocare” implant surface. The particles of micrometer and submicrometer sizes of “Nobel Biocare” implants are found to consist mainly of titanium dioxide of both modifications, rutile and anatase, whereas in the case of “Alpha BiO” implants, along with titanium dioxide and titanium nitride, there are aluminum oxides in the particle composition. The elemental composition of nanoparticles is more diverse; it includes Fe, Ca, Na, Cl, S, Si, P, etc. It is revealed that microbial contamination does not always play the leading role in the suppression of previously obtained osteointegration.〈/p〉 〈/span〉
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