液态三元Ni-Cu-Fe合金比热的实验与计算研究

采用电磁悬浮落滴式量热方法测定了液态三元Ni₆₀Cu₂₀Fe₂₀合金在1436—2008K温度范围内的比热，实验获得的最大过冷度达232K(0.14T_L)，结果表明比热值为33.27J·mol^-1·K^-1，并且随温度变化很小.在实验基础上，根据分子动力学方法结合嵌入原子势(EAM)和Quantum Sutton-Chen多体势(QSC)对比热进行了理论计算，揭示关键词：液态合金比热电磁悬浮分子动力学计算

Measurement and calculation of specific heat for a liquid Ni-Cu-Fe ternary alloy

The specific heat of liquid Ni₆₀Cu₂₀Fe₂₀ ternary alloy was measured by electromagnetic levitation drop calorimetry in the temperature range from 1436 to 2008K. The maximum undercooling achieved in experiment is 232K (0.14T_L). The specific heat was determined as 33.27J·mol^-1·K^-1 which varied slightly with temperature. Furthermore，the temperature dependence of the specific heat of normal and undercooled liquid Ni₆₀Cu₂₀Fe₂₀ alloy was calculated by molecular dynamics method with embedded-atom potential (EAM) and quantum Sutton-Chen many-body potential (QSC). The calculated results indicate that the specific heat increases slowly with the decrease of temperature. By comparing these theoretical calculations with experiments，we found that the QSC model is more reasonable for predicting the specific heat of liquid Ni₆₀Cu₂₀Fe₂₀ alloy than the EAM model.