Heating rate effects for the melting transition of Pt-Ag-Au nanoalloys

作     者：Huseyin Yıldırım Ali Kemal Garip Huseyin Yildirim;Ali Kemal Garip

作者机构：Yenice Vocational SchoolKarabuk UniversityKarabukTurkey Department of PhysicsZonguldak Bulent Ecevit UniversityZonguldakTurkey 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2021年第30卷第10期

页      面：638-644页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

主　　题：chemical ordering melting optimization nanoalloys 

摘      要：The classical molecular dynamics simulations in canonical NVT ensemble conditions are used to investigate the melting transition in different heating rates of Pt-Ag-Au ternary *** order to obtain the initial configurations used in the molecular dynamics simulations,optimizing the chemical ordering of Pt_(13)AgnAu_(42−n)(n=0-42)ternary nanoalloys was performed using the Basin-Hopping algorithm which would not allow changes in the icosahedron *** Gupta many-body potential was used to model interatomic interactions in both molecular dynamics simulations and optimization *** melting transitions of selected Pt-Ag-Au nanoalloys were explored using caloric curves and Lindemann *** have been two identified types of melting mechanisms,one includes sudden jump behavior in the caloric curve and the other is an isomerization while melting *** temperature range in which the isomerization takes place depends on the heating rate value.