Mechanical and fracture behaviour of pristine and defective single/ bi-crystal graphene/Ti nanocomposites using molecular dynamics simulations

被引：3
作者：
Singh, Jashveer [1 ]
Kumar, Rajesh [1 ,2 ]
机构：
[1] Natl Inst Technol, Dept Mech Engn, Hamirpur 177005, Himachal Prades, India
[2] Natl Inst Technol, Dept Mech Engn, Kurukshetra 136118, Haryana, India
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2024年 / 233卷
关键词：
Single-crystal graphene nanosheets (GrNSs); Bi-crystalline graphenenanosheets(5|7GrNSs); Titanium (Ti); Single-crystal graphene-titanium nano-composites (TiGrNCs); Bi-crystal graphene-titanium nanocomposites; (5|7TiGrNCs); Embedded atom model (EAM); Adaptive intermolecular reactive empirical; bond order (AIREBO); Lennard-Jones (LJ); Mechanical properties; Molecular dynamics (MD); METAL-MATRIX COMPOSITES; THERMAL-CONDUCTIVITY; TITANIUM-ALLOY; STRENGTH; MICROSTRUCTURE; FUNCTIONALIZATION; FILMS;
D O I：
10.1016/j.commatsci.2023.112726
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Metal matrix nanocomposites (MMNCs) are emerging as lightweight but strong propositions with high specific strength and elastic modulus for specific design applications. In the present paper, single-crystal (GrNSs) and bi-crystalline graphene nanosheets (5|7GrNSs) were reinforced into titanium (Ti) matrices to investigate the mechanical and fracture characteristics of Ti-based MMNCs i.e. TiGrNCs and 5|7TiGrNCs, using molecular dynamics (MD). Based on our findings it can be observed that the use of GrNSs helps improve the strength of Ti in a significant manner. The results further demonstrate that the presence of grain boundaries (GBs) did not exert a significant impact on the mechanical properties of nanocomposites (NCs). Moreover, the presence of vacancies and grain boundaries did not deteriorate the mechanical properties of NCs in a deleterious manner. These outcomes will help in the development of NCs that are both lightweight and structurally stronger for the automotive, marine, and aerospace industries.
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页数：13
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