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- W4241750429 abstract "The use of either the Monte Carlo or molecular dynamics method to generate equations-of-state data for various materials at high pressure is discussed. Particular emphasis is given to phase diagrams, such as the generation of various types of critical lines for mixtures, melting, structural and electronic transitions in solids, two-phase ionic fluid systems of astrophysical interest, as well as a brief aside of possible eutectic behavior in the interior of the earth. Then the application of the molecular dynamics method to predict transport coefficients and the neutron scattering function is discussed with a view as to what special features high pressure brings out. Lastly, an analysis by these computational methods of the measured intensity and frequency spectrum of depolarized light and also of the deviation of the dielectric measurements from the constancy of the Clausius--Mosotti function is given that leads to predictions of how the electronic structure of an atom distorts with pressure." @default.
- W4241750429 created "2022-05-12" @default.
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- W4241750429 date "1977-11-01" @default.
- W4241750429 modified "2023-09-26" @default.
- W4241750429 title "Computer simulation at high pressure" @default.
- W4241750429 doi "https://doi.org/10.2172/5428480" @default.
- W4241750429 hasPublicationYear "1977" @default.
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