Ni-Zr非晶玻璃的形成能力随成分变化的分子动力学模拟

Ni-Zr Amorphous Glass Forming Ability Change with Composition by Molecular Dynamics Simulation

采用分子动力学模拟方法,研究了同一冷却速率下淬火后样品NiZr合金的微观结构与Ni含量变化的关系.目的在于通过原子微观结构展示它的玻璃形成能力.通过键角分析方法,统计了Ni-Zr合金中各结构类型的数量.计算体系的二十面体结构(ico)和other结构,发现在50%Ni含量的体系中ico+other结构达到最大值,认为Ni_(50)Zr_(50)的非晶形成能力比较强.

The relationship between the microstructure of Ni - Zr alloy and the change of Ni c - ontent was studied by molecular dynamics simulation method under the same cooling rate. The aim to demonstrate the ability of the glass to form by means of atomic microstructure. The number of various structural types in Ni - Zr alloy was statistically analyzed by bond angle analysis met - hod. The system of twenty surface structure （ICO） and other structure was calculated, found in the s -ystem of 50% Ni content in the ico ＋ other structure to achieve the maximum Value, that the Ni50 Zr50 amorphous forming ability is relatively strong.