Properties of Liquid Nickel along Melting Lines under High Pressure

【摘要】 We report a molecular dynamics study of structural and transport properties of liquid nickel under high pressures.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 liquid nickel under high-pressure conditions,and the diffusion coefficients and viscosity increase moderately with pressure along melting lines.更多还原

【Abstract】 We report a molecular dynamics study of structural and transport properties of liquid nickel under high pressures.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 liquid nickel under high-pressure conditions,and the diffusion coefficients and viscosity increase moderately with pressure along melting lines.更多还原