Correlation effects in atom transport by the interstitialcy mechanism
Correlation effects in atom transport by the interstitialcy mechanism
复制标题
间隙机制在原子输运中的相关效应
DOI：
10.1080/01418619108213947
复制
发表时间：
1991
影响因子：
1.6
通讯作者：
E. L. Allnatt
中科院分区：
文献类型：
--
作者：
A. Allnatt;E. L. Allnatt
摘要本文研究了由两个互穿的三角形晶格取代和填隙位组成的六方晶格的扩散机制。示踪剂相关因子的计算准确地在低和高间隙浓度的限制，通过使用晶格绿色函数的属性，一个方便的扩展的方法，已被证明是强大的空位模型。Monte Carlo模拟提出了相同的模型在完整的浓度范围内，浓度依赖性是定性不同的，从已知的方平面晶格上的magnitialcy机制。模拟也已在低浓度的相同的模型修改的存在下的集群的封闭网站，不参加迁移过程。
Abstract Diffusion by the interstitialcy mechanism is studied for a hexagonal lattice of two interpenetrating triangular lattices of substitutional and interstitial sites. The tracer correlation factor is calculated exactly in the limits of low and high interstitial concentrations by the use of lattice Green function properties, a convenient extension of a method which has proved powerful for vacancy models. Monte Carlo simulations are presented for the same model over the complete concentration range; the concentration dependence is qualitatively different from that already known for the interstitialcy mechanism on the square planar lattice. Simulations have also been made at low concentrations for the same model modified by the presence of clusters of blocked sites which take no part in the migration process.