Cuckoo searching optimal composition of multicomponent alloys by molecular simulations

SCRIPTA MATERIALIA

卷:130

Article

Sharma, Aayush¹  Singh, Rahul¹  Liaw, Peter K.²  Balasubramanian, Ganesh^1,3 

[1] Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA

[2] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA

[3] Iowa State Univ, Microelect Res Ctr, Ames, IA 50011 USA

关键词: Cuckoo search;    Molecular dynamics;    Metaheuristic optimization;    High-entropy alloy;    Ultimate tensile strength;    Multicomponent alloy;   

DOI  :  10.1016/j.scriptamat.2016.12.022

来源: Elsevier

【 摘 要 】

A robust computational design framework that couples the metaheuristic cuckoo search technique with classical molecular dynamics simulations is employed to optimize the composition of multicomponent alloys for increased tensile strength. Model binary, ternary, and quinary multi-principal element alloys are chosen as test beds to predict the influence of atomic concentration of one constituent element (design variable) on the ultimate tensile strength (objective function) of the material. The design solutions that correlate the elemental atomic fraction to strength over a number of computational search cycles are in qualitative agreement with earlier experiments. The predictive scheme explores a vast materials landscape and accelerates the elemental selection for discovery of novel multicomponent alloys. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

【 授权许可】

Free