摘要
We report a molecular dynamics study of structural and transport properties of liquid nickel under high pres- sures. Pressure dependencies of pair distribution function and pair correlation entropy along the melting line indicate that the configuration change along melting lines decreases with increasing pressure. The calculated diffusion coefficients and viscosity by using entropy-scaling laws with modified parameters and ideal parameters are compared with those extracted from mean-square displacement or the Stokes-Einstein relation. The results suggest that the entropy-scaling laws hold well for coefficients and viscosity increase moderately with liquid nickel under high-pressure conditions, and the diffusion pressure along melting lines.
We report a molecular dynamics study of structural and transport properties of liquid nickel under high pres- sures. Pressure dependencies of pair distribution function and pair correlation entropy along the melting line indicate that the configuration change along melting lines decreases with increasing pressure. The calculated diffusion coefficients and viscosity by using entropy-scaling laws with modified parameters and ideal parameters are compared with those extracted from mean-square displacement or the Stokes-Einstein relation. The results suggest that the entropy-scaling laws hold well for coefficients and viscosity increase moderately with liquid nickel under high-pressure conditions, and the diffusion pressure along melting lines.
基金
Supported by the Science and Research Foundation of Sichuan Educational Committee under Grant Nos 13ZB0211 and 13ZA0198
the Open Research Fund of Computational Physics Key Laboratory of Sichuan Province under Grant No JSWL2014KF06
