探索高合金:对先进材料应用的热力学设计和计算建模策略的审查
Peter Ifeolu Odetola1, Bukola Joseph Babalola1, Ayodeji Ebenezer Afolabi1
1Centre for Nanoengineering and Advanced Materials, School of Mining, Metallurgy and Chemical Engineering, University of Johannesburg, Johannesburg, 2092, South Africa.
Heliyon
|December 2, 2024
概括
高合金 (HEAs) 为工程提供了独特的性能. 计算建模,包括CALPHAD和机器学习,有助于预测和设计各种应用的HEAs.
科学领域:
- 材料科学 材料科学 材料科学
- 计算材料科学科学 计算材料科学
- 热力学是一种热力学.
背景情况:
- 高合金 (HEAs) 是具有独特特性的先进材料.
- 由于多个主要元素,它们的设计是复杂的.
- 了解HEAs对于现代工程应用至关重要.
研究的目的:
- 审查热力学和计算建模在HEA设计中的作用.
- 解释影响HEA属性的核心效应.
- 展示HEA行为预测工具.
主要方法:
- 专注于热力学和计算模型.
- 对HEA核心效应的分析:高,缓慢的扩散,严重的格子扭曲,尾酒效应.
- 价值电子度 (VEC),CALPHAD,第一原则和机器学习的应用.
主要成果:
- 计算工具可以预测相位稳定性和微观结构演变.
- 一个七重HEA的案例研究表明了理论和实验方法的协同作用.
- 确定了航空航天,汽车,能源和生物医学领域的潜在应用.
结论:
- 计算建模是高等教育机构合理设计的关键.
- 高等教育在各个行业具有变革性的潜力.
- 需要进一步的研究来克服设计和加工方面的挑战.
相关概念视频
02:37Metallic Solids
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
01:16Thermal Sigmatropic Reactions: Overview
Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...