| 书目名称 | Modelling Atomic Arrangements in Multicomponent Alloys |
| 副标题 | A Perturbative, Firs |
| 编辑 | Christopher D. Woodgate |
| 视频video | |
| 概述 | Applies the method to a number of systems of considerable current interest in computational materials science.Considers how compositional order in magnetic systems can be tuned to search for new perma |
| 丛书名称 | Springer Series in Materials Science |
| 图书封面 |  |
| 描述 | .This book provides a comprehensive overview of a computationally efficient approach for modelling the phase behaviour of multicomponent alloys from first principles, describing both short- and long-range atomic ordering tendencies. The study of multicomponent alloy systems, which combine three or more base elements in near-equal ratios, has garnered significant attention in materials science due to the potential for the creation of novel materials with superior properties for a variety of applications. High-entropy alloys, which contain four or more base elements, have emerged as a particularly fascinating subset of these systems, demonstrating extraordinary strength and fracture resistance, among other desirable properties. The book presents a novel modelling approach for studying the phase behaviour of these systems, which is based on a perturbative analysis of the internal energy of the disordered alloy as evaluated within the Korringa–Kohn–Rostoker (KKR) formulation of density functional theory (DFT), using the coherent potential approximation (CPA) to average over chemical disorder. Application of a Landau-type theory to an approximate form of the Gibbs free energy enables di |
| 出版日期 | Book 2024 |
| 关键词 | Permanent Magnets; Short-Range Order in Multicomponent Alloys; Materials Modelling; High-Entropy Alloys |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-3-031-62021-8 |
| isbn_softcover | 978-3-031-62023-2 |
| isbn_ebook | 978-3-031-62021-8Series ISSN 0933-033X Series E-ISSN 2196-2812 |
| issn_series | 0933-033X |
| copyright | The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl |
发表于 2025-3-21 17:54:58
