当前位置:
X-MOL 学术
›
Cryst. Growth Des.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Growth Pattern of Homogeneous and Heterogeneous Nucleation in High-Entropy FeNiCrCoCu Alloys
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2022-03-14 , DOI: 10.1021/acs.cgd.1c01499
Yue Gao 1 , Bei Wang 1 , Jin Huang 1 , Tinghong Gao 1 , Wensheng Yang 1 , Quan Xie 1 , Qian Chen 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2022-03-14 , DOI: 10.1021/acs.cgd.1c01499
Yue Gao 1 , Bei Wang 1 , Jin Huang 1 , Tinghong Gao 1 , Wensheng Yang 1 , Quan Xie 1 , Qian Chen 1
Affiliation
![]() |
High-entropy alloys (HEAs) consist of five or more metallic elements in equal or near-atomic proportions to form multicomponent alloys with high configurational entropy. Recently, nanostructured HEAs have attracted considerable attention from both academia and industry for their extraordinary properties. Nucleation during solidification directly affects the properties of metals and alloys. Although experimental techniques to study the microstructure and nucleation growth during metal solidification continue to make remarkable developments, many unanswered questions remain in this field. Molecular dynamics (MD) simulation is an effective tool to describe the nucleation mechanism and microstructural evolution of HEAs during solidification processes. In this paper, we explore the atomic origins of the homogeneous and heterogeneous nucleation in the FeNiCrCoCu HEA using classical MD simulations. The results show an obvious difference between homogeneous and heterogeneous nucleation. A new growth pattern of crystals in HEA was discovered during the heterogeneous nucleation process. The mechanisms of heterogeneous and homogeneous nucleation and their control factors are revealed through the evolution of several crystalline structures and dislocation density.
中文翻译:
高熵 FeNiCrCoCu 合金中均相和异相形核的生长模式
高熵合金 (HEAs) 由五种或更多种金属元素以相等或接近原子的比例组成,形成具有高构型熵的多组分合金。最近,纳米结构的 HEA 因其非凡的特性引起了学术界和工业界的极大关注。凝固过程中的形核直接影响金属和合金的性能。尽管研究金属凝固过程中的微观结构和形核生长的实验技术继续取得显着发展,但该领域仍有许多未解决的问题。分子动力学 (MD) 模拟是描述 HEA 在凝固过程中的成核机制和微观结构演变的有效工具。在本文中,我们使用经典的 MD 模拟探索了 FeNiCrCoCu HEA 中均质和异质成核的原子起源。结果表明均相和异相成核之间存在明显差异。在异质成核过程中发现了一种新的 HEA 晶体生长模式。通过几种晶体结构和位错密度的演变揭示了异质和均质成核的机制及其控制因素。
更新日期:2022-03-14
中文翻译:
![](https://scdn.x-mol.com/jcss/images/paperTranslation.png)
高熵 FeNiCrCoCu 合金中均相和异相形核的生长模式
高熵合金 (HEAs) 由五种或更多种金属元素以相等或接近原子的比例组成,形成具有高构型熵的多组分合金。最近,纳米结构的 HEA 因其非凡的特性引起了学术界和工业界的极大关注。凝固过程中的形核直接影响金属和合金的性能。尽管研究金属凝固过程中的微观结构和形核生长的实验技术继续取得显着发展,但该领域仍有许多未解决的问题。分子动力学 (MD) 模拟是描述 HEA 在凝固过程中的成核机制和微观结构演变的有效工具。在本文中,我们使用经典的 MD 模拟探索了 FeNiCrCoCu HEA 中均质和异质成核的原子起源。结果表明均相和异相成核之间存在明显差异。在异质成核过程中发现了一种新的 HEA 晶体生长模式。通过几种晶体结构和位错密度的演变揭示了异质和均质成核的机制及其控制因素。