Ni3Ga中间相结构缺陷的热力学和统计热力学分析

Thermodynamics and Statistical-Thermodynamics of the Ni3Ga Intermetallic Compound

  • 摘要: 使用以稳定的ZrO2为电解质的高温固体电解质电池电动势方法测量了Ni3Ga非整比金属间化合物1073至1273K均相范围内Ga的活度,计算了偏摩尔焓和偏摩尔摘等热力学性质.考虑4种点缺陷,即分别在2个亚晶格上的反结构原子和空位共存于该Ll2型化合物中,各缺陷生成自由能为可调参数:Ef(Aβ)=0.60eV,Ef(Bα)=0.60eV,EfV(α)=1.5eV,EfV(β)=2.0eV,用统计热力学方法推导了Ni3Ga非整比化合物均相范围内缺陷浓度及其与温度和成分的关系,得到1123K时整比处的无序参数α'=0.0009.

     

    Abstract: Thermodynamic activities of gallium were measured between 1073 and 1273 K in the nonstoichiometric intermetallic compound Ni3Ga using an emf-method based on solid oxygen-conducting electrolytes. The partial molar enthalpies and entropies were derived from their dependence on temperature. The results of the activity measurements were interpreted in terms of a statistical-thermodynamic model for nonstoichiometric phases with the cubic Ll2-superstructure considering four types of point defects, i. e-antistructure atoms and vacancies on the nickel- and gallium-sublattice. The enerpies of formation of the point defects at the stoichiometric composition are used as adjustable parameter.

     

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