Theoretical Calculations on Solid Argon
نویسندگان
چکیده
منابع مشابه
Solid L-α-alanine: spectroscopic properties and theoretical calculations
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The enthalpy and entropy of vacancy creation in solid argon are re-evaluated using the two-body force approximation. At the triple point, the resulting vacancy free energy is g, = 1900 -4.0 RTcaljmole vat. This does not agree well with previous calculations of g,, but agrees well with experimental values of g, obtained from the argon specific heat”’ C, (but not with the questionable values obta...
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The self-ditlusion coefficient D = De exp( —() /RT) for solid argon has been measured in thin specimens of large grain size by a tracer technique. The results, Dp=0.2+p. 14 '3~ cm~ sec ' and Q =3600+150 cal mole ', are lower than those obtained in previous investigations. The value of Q agrees reasonably well with a twobody absolute-rate calculation for vacancy migration, but not with calculati...
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Department ofPhysics and Astronomy, University ofDelaware, Newark, Delaware 19716 (Received 21 June 1989) Inelastic neutron scattering studies of excitations in ' Ar solid monolayers show a large thermal broadening of the scattered intensity between T =4 and 45 K. %'e find this thermal broadening can be readily explained in terms of anharmonic interactions between the phonons in the monolayers....
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Parallel Molecular Dynamics Stencil has been developed to execute effectively large-scale parallel molecular dynamics simulations. The Stencil is adapted to varieties of molecular dynamics simulations without special attention to parallelization techniques. As an example of large-scale simulation using this Stencil, the adiabatic elastic constants of solid argon in crystalline and amorphous sta...
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ژورنال
عنوان ژورنال: Nature
سال: 1956
ISSN: 0028-0836,1476-4687
DOI: 10.1038/178484a0