Coalescence of Al0.3CoCrFeNi polycrystalline high-entropy alloy in hot-pressed sintering: a molecular dynamics and phase-field study

被引：104

作者：

Guo, Qingwei ^{[1
]}

Hou, Hua ^{[1
,2
]}

Wang, Kaile ^{[1
]}

Li, Muxi ^{[1
]}

Liaw, Peter K. ^{[3
]}

Zhao, Yuhong ^{[1
,4
,5
]}

机构：

[1] North Univ China, Collaborat Innovat Ctr, Sch Mat Sci & Engn, Minist Educ & Shanxi Prov High performance Al Mg A, Taiyuan 030051, Peoples R China

[2] Taiyuan Univ Sci & Technol, Sch Mat Sci & Engn, Taiyuan 030024, Peoples R China

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

[4] Univ Sci & Technol Beijing, Beijing Adv Innovat Ctr Mat Genome Engn, Beijing 100083, Peoples R China

[5] Liaoning Acad Mat, Inst Mat Intelligent Technol, Shenyang 110004, Peoples R China

来源：

NPJ COMPUTATIONAL MATERIALS | 2023年 / 9卷 / 01期

基金：

中国国家自然科学基金;

关键词：

MECHANICAL-PROPERTIES; MICROSTRUCTURE; NANOPARTICLES; NANO; PRECIPITATION; SIMULATION; BEHAVIORS; PARTICLES; STRENGTH;

D O I：

10.1038/s41524-023-01139-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Existing hot sintering models based on molecular dynamics focus on single-crystal alloys. This work proposes a new multiparticle model based on molecular dynamics to investigate coalescence kinetics during the hot-pressed sintering of a polycrystalline Al0.3CoCrFeNi high-entropy alloy. The accuracy and effectiveness of the multiparticle model are verified by a phase-field model. Using this model, it is found that when the particle contact zones undergo pressure-induced evolution into exponential power creep zones, the occurrences of phenomena, such as necking, pore formation/filling, dislocation accumulation/decomposition, and particle rotation/rearrangement are accelerated. Based on tensile test results, Young's modulus of the as-sintered Al0.3CoCrFeNi high-entropy alloy is calculated to be 214.11 +/- 1.03 GPa, which deviates only 0.82% from the experimental value, thus further validating the feasibility and accuracy of the multiparticle model.

引用

页数：13

共 58 条

[1] Mechanical properties are affected by coalescence mechanisms during sintering of metal powders: Case study of Al-Cu nanoparticles by molecular dynamics simulation [J].