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过冷液态金属热力学性质的变分计算

沈涛 , 王景唐

金属学报

本文用Gibbs-Bogoliubov热力学变分计算方法,以硬球(HS)体系为参考体系,对第Ⅲ族中Al,Ga,Tl及过渡金属Ti进行了过冷液态热力学性质的计算,算出平均原子体积Ω,Helmholtz自由能F,内能E及熵S,并得到等容比热c_ν;等温体弹性模量B_T,热膨胀系数α_p和等压比热c_p.从c_p-T曲线得到非晶转变温度T_g。T_r(=Tg/Tm)的理论值表明了金属形成非晶的能力,和实验结果相符。

关键词: 过冷液态金属 , hard-sphere system , thermodynamic variational calculation , specific heat , glass transition temperature

VARIATIONAL CALCULATION OF THERMODYNAMIC PROPERTIES OF SUPERCOOLED LIQUID METALS

SHEN Tao WANG Jingtang Institute of Metal Research , Academia Sinica , National Laboratory of Rapidly Solidified Non-equilibrium Alloys , Shenyang , China

金属学报(英文版)

By means of Gibbs-Bogoliubov (GB) thermodynamic variational calculation,the thermodynamic properties of the supercooled liquid metals,such as the 3rd family elements Al,Ga and Tl and transition metal Ti were calculated using the hard-sphere (HS) system as reference.The values of mean atomic volume,Helmholtz free energy,internal energy and entropy as well as specific heat at constant volume,isothermal bulk modulus,thermal expan- sion coefficient and specfic heat under constant pressure were evaluated.The glass transition temperature,T_g,is easily obtained from the C_p-T plot.The glass forming ability for metal can be predicted from T_g/T_m,which is in agreement with the experimental results.

关键词: supercooled liquid metal , null , null , null , null

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