由集群加原子模型获得的Cu-Ni-Al铜合金的组成公式
Xiaolin Cheng1, Mengxin Zhao1, Yajun Zhao1
1School of Materials Science and Engineering, Dalian Jiaotong University, Dalian 116028, China.
Materials (Basel, Switzerland)
|September 27, 2025
概括
本研究引入了一个集群加原子模型,以预测Cu-Ni-Al铜合金的组成和微观结构. 该模型准确地确定了相位体积分数和.
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:
- --铜合金是降水强化材料,由于嵌入的γ' (Ni3Al) 和γ′′ (Ni3Nb) 阶段在γ阶段 (固溶液) 中,具有增强的强度和耐腐蚀性.
- 这些合金中的组成和微观结构之间的复杂相互作用使得与其属性建立明确的相关性具有挑战性.
研究的目的:
- 开发Cu-Ni-Al铜合金的组成公式和预测微观结构构成,特别是相位体积分数.
- 根据合金相内的可溶性行为建立合金元素的系统分类.
- 通过将预测的特性与实验数据进行比较,验证开发的模型对合金设计的适用性.
主要方法:
- 利用集群加原子模型构建Cu-Ni-Al合金的组合公式和微观结构构成.
- 根据可溶性,将合金元素分为γ相 (Cu-like),γ'相 (Al-like) 和Ni-like类别.
- 为 γ 和 γ' + γ′′ 阶段制定了集群公式,并计算了理论阶段体积分数.
主要成果:
- 已建立的合金元素的系统分类: γ 阶段 (Cu,Ni,Al,Mg,Mn), γ' 阶段 (Al,Nb,Si,Cr,Mn,Fe) 和 Ni 类 (Ni,Fe,Cu).
- 衍生集群公式: γ-{(Cu,Ni,Al,Mn,Mg) 16}1-x和 (γ' + γ′′) -{(Al,Nb,Si,Cr,Mn,Fe) 4(Ni,Fe) 8Cu4}x,其中x是沉体积分数.
- 获得了代表性合金的理论相位体积分数,范围为13.21%至26.32%.
- 使用集群公式预测的模量与实用的合金实验值有很好的一致性.
结论:
- 集群加原子模型为Cu-Ni-Al铜合金提供了准确的组成公式和微观结构预测.
- 该模型能够预测相位体积分数和扬模量,这证实了它在设计这些先进材料中的实用性.
- 这种方法为更好地理解和控制复杂合金中的组成,微观结构和特性之间的关系提供了一条途径.
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