Open AccessMonte Carlo simulation of thermophysical properties of Ni-15%Mo alloy melt
Author(s) -
姚文静,
王楠
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.4053
Subject(s) - thermodynamics , surface tension , materials science , viscosity , alloy , monte carlo method , diffusion , activation energy , atmospheric temperature range , physics , chemistry , metallurgy , statistics , mathematics
The Monte Carlo method with EAM potential is used to simulate the liquid Ni-15%Mo binary alloy system, from which the thermophysical properties hardly measured by experimental measurement can be obtained. The simulated surface tension of liquid Ni-15%Mo alloy at the melting temperature is 1.918 N/m, and the simulated temperature coefficient of surface tension as a function of temperature is σ=1.918-1.130×10-3T-Tm N/m. Based on the simulated surface tension, the variation of viscosity and solute diffusion coefficient within the range of from 1500 K to 2000 K can be deduced. The result of the viscosity is η=0.895exp2.209×104/RT mPa·s, that is, the viscosity constant is 0.895 mPa·s, and the apparent activation energy is 2.209×104 J/mol. The diffusion coefficient can then be obtained by the StokesSutherland-Einstein equation as D=9.803×10-8exp-3.643×104/RT m/s2 where the activation energy is 3.643×104 J/mol. From the relationship between system energy and temperature, the specific heat of liquid Ni-15%Mo alloy at different temperatures can be determined to be Cp=37.313-1.425×10-2T-Tm J·mol-1·K-1.