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  • 1
    Electronic Resource
    Electronic Resource
    Magnetic and structural phase transitions in UAu2Si2 : 35th annual conference on magnetism and magnetic materials (1991)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 69 (1991), S. 4810-4812 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We report magnetic susceptibility, neutron, and x-ray diffraction measurements on polycrystalline UAu2Si2. Magnetic susceptibility data show the existence of two phases below 50 K. Since no superlattice neutron peaks were observed within the sensitivity of the apparatus we conclude that the system is not a canted ferromagnet, as was suggested earlier. On the basis of the temperature dependence of the neutron and x-ray intensity we discuss a possibility that UAu2Si2 undergoes two structural phase transitions, at 48 and at 18 K and that these transitions are correlated with the magnetic state of the material.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.348238
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  • 2
    Electronic Resource
    Electronic Resource
    A molecular-dynamics simulation study of the β phase of nitrogen (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 7877-7887 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structural characteristics of the β phase of solid nitrogen have been studied for large samples by the molecular-dynamics simulation technique. An effective interatomic potential appropriate to this phase was developed including nonbonded and quadrupole terms. Several properties of the crystal structure have been studied as functions of both temperature and pressure. In particular, a detailed investigation of the molecular orientational order has been made as a function of these parameters. At high temperatures the simulation sample is found to have a hexagonal structure with randomly oriented molecules. As the temperature decreases an orientational ordering transition is found to occur at ≈35 K. The effects of increasing pressure are found to be analogous to those of reducing the temperature. The nature of the local transition in the sample is investigated by calculating correlation parameters which specify twinning and tetrahedral ordering. The variation of the latter indicates that tetrahedral ordering increases strongly with decreasing temperature or increasing pressure, suggesting that the low-temperature phase is a condensation of this arrangement.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457255
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  • 3
    Electronic Resource
    Electronic Resource
    Inelastic neutron scattering determination of phonon dispersion curves in the molecular crystal sym-C6F3Cl3 (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 1918-1923 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Phonon dispersion curves have been obtained along the Δ, Σ, and T directions in a single crystal of sym-C6F3Cl3 at 5 K by inelastic neutron scattering measurements. These have been interpreted within the framework of rigid-molecule lattice dynamics. A model intermolecular potential reproduces the overall behavior, but there remains scope for improvement in the model. Other models based on transferable potentials are found to be less satisfactory.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456033
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  • 4
    Electronic Resource
    Electronic Resource
    The condensed phases of carboranes (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 2436-2440 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An atom–atom Lennard-Jones (LJ) model for the intermolecular potential of carborane molecules (B10C2H12) is developed and used in a series of classical constant-pressure molecular dynamics simulations of p-, m- and o-carborane crystals, at several temperatures and zero pressure. The potential model reproduces many structural and dynamical properties of these crystals, in particular the high temperature orientationally disordered plastic phase common to the three compounds. This work stresses the need of further experimental data to improve the potential model. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472111
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  • 5
    Electronic Resource
    Electronic Resource
    Crystal structures and phase transition of the cyanospinel K2Hg(CN)4 (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 6004-6009 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The crystal structures of the high temperature (paraelastic) and low temperature (ferroelastic) phases of the cyanospinel K2Hg(CN)4 have been determined by neutron powder diffraction. At 298 K the crystal has the spinel structure and the cyanide coordination is ordered in the sequence N–C–Hg–C–N. Below the phase transition (111 K) the structure is trigonal with space group R3¯c. At the transition Hg(CN)4 tetrahedra adjacent along [111] rotate in antiphase as rigid units by ≈7° and the K ion shifts by ≈0.1A(ring). The transition has an ordering wave vector q0≡{1/2 1/2 1/2}. Comparison is made with the structural characteristics of other cyanospinels and it is suggested that the transitions cannot be understood in terms of steric interactions but must be a dynamic effect.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451514
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