Atomistic simulations of metallic microstructures

D Farkas - Current Opinion in Solid State and Materials Science, 2013 - Elsevier
This paper reviews recent results in the simulation of the mechanical response of metallic
microstructures at the atomic level. The role of the grain boundary network in deformation …

The role of grain boundary character in solute segregation and thermal stability of nanocrystalline Pt–Au

CM Barr, SM Foiles, M Alkayyali, Y Mahmood, PM Price… - Nanoscale, 2021 - pubs.rsc.org
Nanocrystalline (NC) metals suffer from an intrinsic thermal instability; their crystalline grains
undergo rapid coarsening during processing treatments or under service conditions. Grain …

Study of nanoindentation mechanical response of nanocrystalline structures using molecular dynamics simulations

J Li, J Guo, H Luo, Q Fang, H Wu, L Zhang, Y Liu - Applied Surface Science, 2016 - Elsevier
Molecular dynamics (MD) simulations are performed to study the nanoindentation onto three
different crystal structures including the single crystalline, polycrystalline, and nanotwinned …

Atomistic simulation of tantalum nanoindentation: Effects of indenter diameter, penetration velocity, and interatomic potentials on defect mechanisms and evolution

CJ Ruestes, A Stukowski, Y Tang… - Materials Science and …, 2014 - Elsevier
Nanoindentation simulations are a helpful complement to experiments. There is a dearth of
nanoindentation simulations for bcc metals, partly due to the lack of computationally efficient …

Deformation mechanisms and mechanical properties of nanocrystalline CuxNi100− x alloys during indentation using molecular dynamics

TN Vu, VT Pham, TH Fang - Materials Today Communications, 2022 - Elsevier
The mechanical property of polycrystal CuNi alloys under the indentation process is studied
using molecular dynamics (MD) simulation. The effects of the grain size, temperature, and …

A brief overview on grain growth of bulk electrodeposited nanocrystalline nickel and nickel-iron alloys

H Ni, J Zhu, Z Wang, H Lv, Y Su… - Reviews on Advanced …, 2019 - degruyter.com
This review focuses on grain growth behaviors and the underlying mechanisms of bulk
electrodeposited nanocrystalline nickel and nickel-iron alloys. Effects of some important …

Nanoindentation response of nanocrystalline copper via molecular dynamics: Grain-size effect

J Li, B Lu, Y Zhang, H Zhou, G Hu, R Xia - Materials Chemistry and Physics, 2020 - Elsevier
This paper is aimed at investigating the mechanical properties and deformation mechanisms
of nanocrystalline copper under nanoindentation. The Voronoi tessellation method is …

Role of grain boundary character and its evolution on interfacial solute segregation behavior in nanocrystalline Ni-P

A Gupta, X Zhou, GB Thompson, GJ Tucker - Acta Materialia, 2020 - Elsevier
Interfacial solute segregation behavior of P in nanocrystalline (NC) Ni alloys is investigated
at the atomic scale using cross-correlative PED-APT measurements and atomistic …

Stress-assisted grain growth in nanocrystalline metals: Grain boundary mediated mechanisms and stabilization through alloying

Y Zhang, GJ Tucker, JR Trelewicz - Acta Materialia, 2017 - Elsevier
The mechanisms of stress-assisted grain growth are explored using molecular dynamics
simulations of nanoindentation in nanocrystalline Ni and Ni-1 at.% P as a function of grain …

Effects of grain and twin boundary on friction and contact characteristics of CuZrAl nanocrystallines

DQ Doan, TH Fang, TH Chen - Applied Surface Science, 2020 - Elsevier
Molecular dynamics (MD) simulation is applied to study the plastic deformation response of
the nanoscratching process via the investigation of an indenter sliding on the surface of …