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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 2670-2674 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The complexity of rotational energy transfer (RET) in polyatomic molecules has in general precluded prediction of nontrivial temperature and energy related effects. In this paper, experimental measurements of ΔK=3n RET in CH3Cl between 200 K and 400 K are successfully compared with predictions of an earlier model. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 5666-5683 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Time-resolved double resonance spectroscopy using infrared pump radiation and millimeter-wave and submillimeter-wave probe radiation (IRMMDR) has been used to study rotational energy transfer (RET) in CH3Cl. A collisional energy transfer model using only five parameters for RET plus those needed for vibrational processes is shown to accurately model 350 IRMMDR time responses for two different pump states and 43 probe transitions covering a wide range of rotational states. Previous studies in this laboratory have revealed that J- and K-changing RET have vastly different characters in CH3F [J. Chem. Phys. 92, 6480 (1990)]. Both J- and K-changing RET were accurately modeled with four parameters—one for dipole–dipole collisions, two for the ΔJ scaling law, and one for the cumulative rate of K-changing collisions. As was found for CH3F, J-changing rotational collision rates in CH3Cl are modeled accurately by both the statistical power gap (SPG) law and the infinite order sudden approximation using a power law expression for the basis rates (IOS-P). However, in contrast to CH3F, where all IRMMDR time responses for K-changing collisions have the same shape, many time responses of CH3Cl states populated by K-changing collisions contain an additional early time feature (ETF) that varies with pump and probe states. Nonetheless, a simple generalization of the previously reported model for K-changing collisions is shown to account for all of the additional features observed in CH3Cl. Rather than observing a fixed temperature for K-changing collisions as was the case for CH3F, the temperature is found to be a function of time for CH3Cl. Moreover, the two new parameters this adds to the RET model are related to known physical quantities. A qualitative argument of K-changing collisions based on a classical picture is offered to explain the difference between the measured J- and K-changing state-to-state rates in CH3Cl.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 67 (1990), S. 6045-6049 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A model for ion stopping in semiconductors, which considers separate stopping contributions from valence and core electrons, and explicitly includes the effect of the gap, has been used to calculate the electronic stopping power of energetic B, P, and As in Si, Ge, GaAs, and CdTe for projectile energies 10 keV–100 MeV. Account was taken of the partially stripped incident ions by means of the effective charge. There is good agreement at low ion velocity with Lindhard and Scharff's [J. Lindhard and M. Scharff, Phys. Rev. 124, 128 (1961)] values which for heavy ions do not depend on effective charge theory, as well as with the semiempirical curves at energies E≥0.2 MeV/nucleon where they can be compared.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 65 (1989), S. 3987-3990 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: K3Fe5F15 has previously been predicted to be both ferroelectric and ferroelastic, with a phase transition at 535 K, on the basis of the atomic coordinates given in Acta Crystallogr. Sect. B 29, 1654 (1973). Subsequently, the dielectric permittivity has been found to reach a maximum at 495(10) K as the dielectric loss undergoes a change in slope, characteristic of ferroelectric behavior. Furthermore, the heat capacity exhibits a λ-type anomaly at 490(10) K, with a corresponding entropy change of ΔS=5.5(2) J mol−1 K−1. The entropy change at the phase transition calculated from the predicted change in structure is 5.42 J mol−1 K−1. Ferroelastic domains present at room temperature disappear sharply on heating above 490(10) K, as K3Fe5F15 transforms from orthorhombic to tetragonal symmetry, and reappear on cooling below 480(10) K. The ferroelectric-ferroelastic properties in the orthorhombic phase are shown to be fully coupled.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 67 (1990), S. 430-433 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The prediction made in J. Appl. Phys. 65, 3987 (1989) that the ferroelectric–ferroelastic phase transition at Tc =490 K in K3Fe5F15 will be accompanied by a change from order to disorder among the Fe2+/Fe3+ ions has been confirmed by Mössbauer spectroscopy. The thermal dependence of both the Fe3+ quadrupolar splitting and the Fe3+ isomer shift exhibits a smooth decrease with increasing temperature to Tc, each with a sharp and reproducible change in slope above Tc. The average Fe2+ quadrupolar splitting (QS) similarly undergoes a major decrease with increasing temperature, with a clear change in slope above Tc. Furthermore, the thermal dependence of the Fe2+ QS distribution shows that the Fe2+/Fe3+ order required crystallographically below Tc is not conserved at higher temperatures. The proportion of Fe2+ present below Tc is close to the stoichiometric 60% value; the proportion decreases above Tc rapidly with temperature and becomes less than 50% by 543 K, consistent with increasing delocalization of an Fe2+ electron.
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 1576-1582 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Infrared absorption spectra of Ni(CO)4 in the region of its 510 band have been measured in supersonic jets using diode lasers and FTIR. The 510 band consisted of an intense Q branch and well-resolved P and R branches which clearly showed the effects of nuclear spin statistics. The analysis of 114 fundamental band transitions yielded the following effective parameters, which include small Coriolis effects (3σ uncertainties in parenthesis) ν˜0=2061.314 4(45) cm−1, B0=0.035 721 3(30) cm−1, B5=0.035 670 6(30) cm−1. The band center is blue-shifted by 3.5 cm−1 from the room temperature value due to the contribution of hot bands and higher-rotational distributions in the room temperature spectra. Weaker features near the 510 Q branch in the diode laser spectra are assigned to the Q branches of two hot bands. Their spectra, optimized using higher concentrations of Ni(CO)4 in He or Ar seed gas, were analyzed to give rotation, vibration–rotation and anharmonicity parameters. The effective hot band centers are: ν˜0(510411) =2060.996 4(50) cm−1, ν˜0(510811) =2061.114 8(48) cm−1.
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  • 7
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: The components of the first 50 MeV accelerator in the chain of injectors to the 820 GeV HERA proton ring are described including the high energy transport line. An H− beam originates in the cesium loaded magnetron source, is preaccelerated by a radio frequency quadrupole to 750 keV, raised to 50 MeV energy in three rf resonators, and is analyzed in the transport line. The H− ions are converted to protons by stripping, when the beam is injected over several turns into the synchrotron DESY3.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 67 (1990), S. 2681-2683 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Five compositions of K6−2x[FeII2 (FeII4−2xFeIII4+2x)]F30 with 0≤x≤0.20 have been investigated. The Curie temperature Tc decreases from 490 K for x=0 to 230 K for x=0.20. The spontaneous strain es=45×10−4 for x=0 at 300 K, and decreases with increasing x to es=0 for x≥0.075. The entropy change at the transition from the ferroelectric–ferroelastic to the paraelectric–paraelastic phase is 5.5 J mol−1 K−1 for x=0, decreasing to 1.5 J mol−1 K−1 for x=0.20. Calorimetric and dielectric measurements show that the phase transition broadens as x increases. The composition dependence of the phase transition is a function of the Fe2+/Fe3+ distribution. The presence of one Fe3+ ion on the Fe2+ sites of ten unit cells reduces Tc by 150 K. The entropy change at Tc for x(approximately-equal-to)0.2 corresponds to significant remaining displacements, from the tetragonal unit-cell positions, being associated only with two of the three independent Fe atoms and with not more than two of the eight independent F atoms in each unit cell. UFAIPXR
    Type of Medium: Electronic Resource
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  • 9
    Publication Date: 2015-08-26
    Description: In deuterium-filled inertial confinement fusion implosions, the secondary fusion processes D( 3 He,p) 4 He and D(T,n) 4 He occur, as the primary fusion products 3 He and T react in flight with thermal deuterons. In implosions with moderate fuel areal density (∼5–100 mg/cm 2 ), the secondary D- 3 He reaction saturates, while the D-T reaction does not, and the combined information from these secondary products is used to constrain both the areal density and either the plasma electron temperature or changes in the composition due to mix of shell material into the fuel. The underlying theory of this technique is developed and applied to three classes of implosions on the National Ignition Facility: direct-drive exploding pushers, indirect-drive 1-shock and 2-shock implosions, and polar direct-drive implosions. In the 1- and 2-shock implosions, the electron temperature is inferred to be 0.65 times and 0.33 times the burn-averaged ion temperature, respectively. The inferred mixed mass in the polar direct-drive implosions is in agreement with measurements using alternative techniques.
    Print ISSN: 1070-664X
    Electronic ISSN: 1089-7674
    Topics: Physics
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  • 10
    Publication Date: 2016-08-03
    Description: Long-term creep (i.e., deformation under sustained load) is a significant material response that needs to be accounted for in concrete structural design. However, the nature and origin of concrete creep remain poorly understood and controversial. Here, we propose that concrete creep at relative humidity ≥ 50%, but fixed moisture content (i.e., basic creep), arises from a dissolution-precipitation mechanism, active at nanoscale grain contacts, as has been extensively observed in a geological context, e.g., when rocks are exposed to sustained loads, in liquid-bearing environments. Based on micro-indentation and vertical scanning interferometry data and molecular dynamics simulations carried out on calcium–silicate–hydrate (C–S–H), the major binding phase in concrete, of different compositions, we show that creep rates are correlated with dissolution rates—an observation which suggests a dissolution-precipitation mechanism as being at the origin of concrete creep. C–S–H compositions featuring high resistance to dissolution, and, hence, creep are identified. Analyses of the atomic networks of such C–S–H compositions using topological constraint theory indicate that these compositions present limited relaxation modes on account of their optimally connected (i.e., constrained) atomic networks.
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
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