IMR OpenIR
A mean-field interatomic potential for a multi-component beta-type titanium alloy
Y. X. Liu; H. Wang; H. N. Wu; D. S. Xu; R. Yang
2014
Source PublicationComputational Materials Science
ISSN0927-0256
Volume95Pages:414-419
AbstractBy employing the mean-field concept and the embedded-atom method, an interatomic potential was constructed for a beta-type titanium alloy, Ti-24Nb-4Zr-7.9Sn (Ti2448). The alloy was assumed to consist of one single special "element", and its properties were obtained by averaging the interaction between all elements in the alloy. The lattice parameter, shear modulus, bulk modulus, anisotropy ratio and vacancy formation energy from experiments and the cohesive energy from ab initio calculations were used for fitting the potentials. Verification of the present potential was performed by the calculation of the cohesive energies under various lattice structures, the equation of state and point defect energies. Molecular dynamics simulations showed that the present potential is capable of reproducing various manners of plastic deformation, e.g., dislocation nucleation and propagation, deformation twinning, phase transformation, etc. The results show that for such disordered alloys, while retaining the reliability, the mean-field scheme is much simplified compared with traditional methods of potential construction, hence making it possible to study multi-component engineering alloys, such as Ti2448. (C) 2014 Elsevier B.V. All rights reserved.
description.department[liu, yanxia ; wang, hao ; wu, henan ; xu, dongsheng ; yang, rui] chinese acad sci, inst met res, shenyang 110016, peoples r china. [liu, yanxia] liaoning univ, coll phys, shenyang 110036, peoples r china. ; xu, ds (reprint author), chinese acad sci, inst met res, 72 wenhua rd, shenyang 110016, peoples r china. ; dsxu@imr.ac.cn
KeywordMulti-component Alloy Interatomic Potential Mean-field Ti2448 Embedded-atom-method Multifunctional Alloys Atomistic Simulations Body Potentials Bcc Metals Ni System Mechanism Surfaces Defects Phase
URL查看原文
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/73318
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
Y. X. Liu,H. Wang,H. N. Wu,et al. A mean-field interatomic potential for a multi-component beta-type titanium alloy[J]. Computational Materials Science,2014,95:414-419.
APA Y. X. Liu,H. Wang,H. N. Wu,D. S. Xu,&R. Yang.(2014).A mean-field interatomic potential for a multi-component beta-type titanium alloy.Computational Materials Science,95,414-419.
MLA Y. X. Liu,et al."A mean-field interatomic potential for a multi-component beta-type titanium alloy".Computational Materials Science 95(2014):414-419.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Y. X. Liu]'s Articles
[H. Wang]'s Articles
[H. N. Wu]'s Articles
Baidu academic
Similar articles in Baidu academic
[Y. X. Liu]'s Articles
[H. Wang]'s Articles
[H. N. Wu]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Y. X. Liu]'s Articles
[H. Wang]'s Articles
[H. N. Wu]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.