Stress fluctuations and adiabatic speed of sound in liquids: a simple way to estimate it from ab initio simulations.
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ABSTRACT:
SUBMITTER: Bryk T
PROVIDER: S-EPMC10593855 | biostudies-literature | 2023 Oct
REPOSITORIES: biostudies-literature
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Stress fluctuations and adiabatic speed of sound in liquids: a simple way to estimate it from ab initio simulations.
Bryk Taras T Ruocco Giancarlo G Seitsonen Ari Paavo AP
Scientific reports 20231023 1
One of the fundamental quantities in dynamics of the liquid state, the adiabatic speed of sound [Formula: see text], is extremely difficult to predict from computer simulations, especially in ab initio simulations. Here we derive an expression for the instantaneous correlator of fluctuations of longitudinal component of stress tensor, which contains [Formula: see text] along with others quantities easy accessible via classical and ab initio computer simulations. We show that the proposed methodo ...[more]
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