+- HHWForum.hu (https://hhwforum.hu)
+-- Fórum: Letöltések (https://hhwforum.hu/forumdisplay.php?fid=9)
+--- Fórum: E-könyvek (https://hhwforum.hu/forumdisplay.php?fid=57)
+---- Fórum: Külföldi könyvek (https://hhwforum.hu/forumdisplay.php?fid=64)
+---- Téma: Modelling Atomic Arrangements in Multicomponent Alloys (/showthread.php?tid=121254)
RE: Modelling Atomic Arrangements in Multicomponent Alloys - OS9999 - 2024-09-10
![[Kép: 77a317c68c9215e359223e7f45a87878.webp]](https://i124.fastpic.org/big/2024/0910/78/77a317c68c9215e359223e7f45a87878.webp)
Free Download Modelling Atomic Arrangements in Multicomponent Alloys: A Perturbative, First-Principles-Based Approach
English | 2024 | ISBN: 3031620208 | 222 Pages | PDF EPUB (True) | 29 MB
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 direct inference of chemical disorder/order transitions. In addition, the perturbative analysis facilitates extraction of atom-atom effective pair interactions for further atomistic simulations. The connection between the arrangement of atoms in a material and its magnetic properties is also studied. By outlining and applying the proposed modelling techniques to several systems of interest, this book serves as a valuable resource for materials scientists, physicists, and chemists alike, seeking to understand and develop new alloy systems with enhanced materials properties.
Recommend Download Link Hight Speed | Please Say Thanks Keep Topic Live
Idézet:A kódrészlet megtekintéséhez be kell jelentkezned, vagy nincs jogosultságod a tartalom megtekintéséhez.Links are Interchangeable - Single Extraction