On the atomic structure of liquid Ni–Si alloys: a neutron diffraction study
On the atomic structure of liquid Ni–Si alloys: a neutron diffraction study
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DOI：
10.1088/0953-8984/21/38/385403
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发表时间：
2009-08
期刊：
影响因子：
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通讯作者：
S. Gruner;J. Marczinke;L. Hennet;W. Hoyer;G. Cuello
中科院分区：
文献类型：
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作者：
S. Gruner;J. Marczinke;L. Hennet;W. Hoyer;G. Cuello
用中子衍射实验研究了液态NiSi和NiSi_2合金的原子结构。从实验数据集获得使用四个镍同位素，部分结构因子和对相关函数，通过应用反向蒙特卡罗模拟方法。这两种合金被发现表现出强烈的倾向，第一配位壳内的杂配位。特别是，共价Si-Si键与稍大的距离似乎影响的液态NiSi合金的结构。
The atomic structure of the liquid NiSi and NiSi2 alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si–Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.