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在固化过程中,Pt50Au50合金的结晶机制与颗粒边界分离
1School of Science, Chang'an University, Xi'an 710064, China. zoupf@chd.edu.cn.
Physical chemistry chemical physics : PCCP
|October 10, 2023
概括
这项研究揭示了在快速固化过程中Pt50Au50合金中的粒度边界 (GB) 分离机制. 独特的固化温度驱动Pt和Au集群的形成,影响合金结构.
科学领域:
- 材料科学 材料科学 材料科学
- 金工业是金工业的一个方面.
- 计算材料科学科学 计算材料科学
背景情况:
- 了解合金固化对于材料工程至关重要.
- 颗粒边界分离会影响材料的性能和性能.
- 快速固化引入复杂的相变动态.
研究的目的:
- 为了研究Pt50Au50合金颗粒边界分离的晶体机制.
- 分析快速固化过程中的集群演变和相变.
- 阐明构成元素不同固化温度的作用.
主要方法:
- 使用了分子动力学模拟.
- 分析包括能量-温度曲线,对分布函数,常见邻近分析 (CNA) 和集群类型索引方法 (CTIM).
- 三维可视化有助于分析集群行为.
主要成果:
- 在Pt50Au50中,粒度边界分离是由Pt-和Au-中心集群的不同固化温度驱动的.
- 四个临界温度 (1153 K, 1073 K, 853 K, 753 K) 标志着不同的阶段:超冷液,Pt核化,Pt集群生长,Au核化和谷物生长.
- 在固化之前,Pt原子聚合在高温液态阶段.
结论:
- 该研究确定了Pt50Au50合金的独特固化途径.
- 开发的集群类型索引方法 (CTIM) 是研究谷物边界分离的有效工具.
- 研究结果提供了关于合金在快速固化过程中的微观结构控制的见解.
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