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- W2130728492 abstract "A calculation scheme of the pressure tensor in a molecular dynamics simulation is discussed. A general expression of the pressure in a control volume is presented. The virial of a two-atom pair contributes the pressure between the two atoms according to how long their connecting line passes through the control volume. It is shown that this scheme gives a reasonable pressure profile. The pressure perpendicular to an interface is computed to be constant by this scheme throughout the equilibrium system, unlike the artificial hump in the pressure profile, which owns with the widely used method." @default.
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- W2130728492 date "1998-01-01" @default.
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- W2130728492 title "Pressure Calculation Scheme in a Small Control Volume" @default.
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- W2130728492 doi "https://doi.org/10.1007/978-3-662-35369-1_19" @default.
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