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首页> 外文期刊>Physical review >Liquid gallium-lead mixture spinodal, binodal, and excess thermodynamic properties
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Liquid gallium-lead mixture spinodal, binodal, and excess thermodynamic properties

机译：液态镓铅混合物的旋节线，双节线和过剩的热力学性质

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A statistical mechanical based theory is developed for incorporating the effect of the long-range forces in Ga-Pb alloy. In particular, the simplified random-phase approximation is employed in conjunction with the Grosdidier et al. [Phys. Rev. B 72, 024207 (2005)] model for GaGa and PbPb interactions while a suitable nonadditive pair potential is introduced between unlike atoms. We present analytical expressions for the equation of state and for the concentration fluctuations ,S_(CC)(0), and then the role of the nonadditivity parameter is established by consulting the empirical critical parameters of the spinodal curve. It becomes possible to deduce the behavior of different thermodynamic functions such as Gibbs energy of mixing, excess Gibbs energy, isobaric heat capacity, and S_(CC)(0) in the vicinity of the liquid-liquid critical point and under extremely high pressure. The impact of temperature and pressure on segregation, and compound-forming tendencies is also investigated. Moreover, the immiscibility gap of the alloy is calculated and compared with the empirical results. The results suggest that: (ⅰ) the nonadditivity of the potential tails plays a dominant role in the determination of the spinodal curve, (ⅱ) S_(CC)(0) is a very sensitive function in triggering the chemical short-range order, and (ⅲ) the segregation or phase separation in Ga-Pb alloy is an outcome of the temperature dependence of the energy mismatch parameter. In conclusion, the present equation of state is sufficiently accurate that it provides a binodal curve, an excess Gibbs energy of mixing and isobaric heat capacity in quantitatively good agreement with the empirical results.
机译：建立了基于统计力学的理论，以结合Ga-Pb合金中远距离作用力的影响。特别地，简化的随机相位近似与Grosdidier等人一起使用。 [物理B 72，024207（2005）[Rev. B 72，024207（2005）]模型建立了GaGa和PbPb相互作用，同时在不同原子之间引入了合适的非加成对电位。我们给出状态方程和浓度波动S_（CC）（0）的解析表达式，然后通过参考旋节线曲线的经验关键参数来确定非可加性参数的作用。可以推断出不同的热力学函数的行为，例如混合的吉布斯能量，过量的吉布斯能量，等压热容量和液-液临界点附近且在极高压力下的S_（CC）（0）。还研究了温度和压力对偏析和化合物形成趋势的影响。此外，计算了合金的不溶混间隙，并将其与经验结果进行了比较。结果表明：（ⅰ）潜在尾巴的非可加性在确定旋节曲线上起主要作用；（ⅱ）S_（CC）（0）在触发化学短程顺序方面是非常敏感的功能， （ⅲ）Ga-Pb合金的偏析或相分离是能量失配参数与温度相关的结果。总而言之，本状态方程足够精确，可以提供一条二面曲线，过量的吉布斯混合能和等压热容，与实验结果在数量上很好地吻合。

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