The structural vacancies in palladium hydride. Phase diagram
The structural vacancies in palladium hydride. Phase diagram
复制标题
氢化钯的结构空位。
DOI：
10.1016/j.ijhydene.2010.06.088
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发表时间：
2011
影响因子：
7.2
通讯作者：
A. Veziroğlu
中科院分区：
文献类型：
--
作者：
S. Zaginaichenko;Z. Matysina;D. Schur;L. O. Teslenko;A. Veziroğlu
本文从分子动力学的角度研究了氢化钯结构空位形成的理论进展。研究了在高温条件下Cu3Au型空位有序上层结构的生成。对PdH和Pd3VH相的自由能进行了计算。构造了A1和l12结构相形成的温度和浓度区域，构建了两个A1 + l12相实现的区域。理论计算结果与实验数据吻合较好。
The theory development of structural vacancies formation in palladium hydride on the molecular-kinetic presentations is the subject of this paper. The production of vacant-ordered superstructure of Cu3Au type has been considered at the high temperatures. The calculation of free energies of the PdH and Pd3VH phases has been carried out. The constitution diagram defined the temperature and concentration regions of phases formation with the A1 and L12structures and regions of two A1 + L12phases realization has been constructed. The results of theoretical calculations are in agreement with experimental data.