在CuZr金属玻璃中Z集群连接的表征
1Departamento de Física, Facultad de Ciencias Naturales, Matemática y del Medio Ambiente, Universidad Tecnológica Metropolitana, Las Palmeras 3360, Ñuñoa, 7800003, Santiago, Chile. namigo@utem.cl.
金属玻璃杯是一种金属玻璃杯.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 计算材料科学科学 计算材料科学
背景情况:
- 金属玻璃具有独特的特性,归因于它们的原子结构.
- 以前的研究表明,高中心对称的Z集群构成了金属玻璃的骨干.
- 了解这些结构中的中距离顺序仍然是一个挑战.
研究的目的:
- 为了研究CuZr金属玻璃的原子连接性.
- 使用复杂网络分析分析Z集群.
- 建立Z集群连接和机械行为之间的关系.
主要方法:
- 使用LAMMPS进行分子动力学模拟.
- 嵌入式原子方法用于Cu-Zr中的原子相互作用.
- 使用NetworkX.Z集群的复杂网络分析.
- 计算平均协调数,网络规模和密度.
主要成果:
- 更高的Z集群连接和更大的网络大小与明显的压力超标相关.
- 在压力超标较少的样本中观察到更低的连接性和更小的网络.
- 网络密度和集群系数验证了相关性.
结论:
- Z集群连接是金属玻璃机械反应的关键因素.
- 复杂的网络分析提供了对结构-属性关系的洞察.
- 这项研究增强了对金属玻璃中中距离秩序的理解.
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