Theory of solute clustering in materials for atom probe
Theory of solute clustering in materials for atom probe
复制标题
原子探针材料中溶质团聚理论
DOI：
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
S. Ringer
中科院分区：
文献类型：
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作者：
L. Stephenson;M. Moody;S. Ringer
伪二元溶质在晶体中的聚类分析建模使用的占位概率，取决于溶质浓度，晶体学和最近邻短程顺序的表达式。最多为10个溶质原子的团簇尺寸，理论随机和非随机团簇尺寸分布计算金刚石（Si），简单（Mn），体心（Fe）和面心（Al）立方晶格和六方密排（Mg）晶格。这些计算然后被用来生成模拟的原子探针数据，通过随机去除原子来模拟检测器效率的影响。这些模拟可用于确定自洽聚类算法参数，测量短程有序参数和恢复检测器效率对所观察到的频率分布的影响。
Pseudo-binary solute clustering in crystals was modelled analytically using expressions for the site-occupation probabilities that depend on solute concentration, crystallography and nearest-neighbour short-range order. Up to a cluster-size of 10 solute atoms, theoretical random and non-random cluster-size distributions were calculated for diamond (Si), simple (Mn), body centred (Fe) and face centred (Al) cubic lattices and the hexagonal close-packed (Mg) lattice. These calculations were then used to generate simulations of atom probe data, by stochastically removing atoms to simulate the effect of detector efficiency. These simulations may be used to determine self-consistent clustering algorithm parameters, measure short range order parameters and recover the effect of detector efficiency on the observed frequency distributions.
影响因子：
9.4
作者：
A. Mottura;N. Warnken;Michael K. Miller;M. Finnis;R. Reed
通讯作者：
A. Mottura;N. Warnken;Michael K. Miller;M. Finnis;R. Reed