Atomistic-Scale Simulations on Grain Boundary Migration Mechanisms Involved in Metals and Alloys: A Critical Review

NK Rawat, N Jain, AK Mishra, A Verma - Archives of Computational …, 2024 - Springer
The mechanical properties of a material are affected by the kinetics and thermodynamics of
the grain boundaries (GBs) present in their domain. Various research works, both …

Deformation and boundary motion analysis of a faceted twin grain boundary

TL Dora, SK Singh, RR Mishra, ER Homer… - International Journal of …, 2024 - Elsevier
In this article, molecular dynamics simulations are used to understand how a nickel bicrystal
with faceted incoherent Σ3 grain boundaries responds to uniaxial tensile loading. The …

Transitioning of deformation mode in bicrystalline Al-Mg alloy with Σ3 [1 1 1] 60°{11 8 5} faceted grain boundary

A Verma, SK Singh, S Ogata - Materials Letters, 2024 - Elsevier
In this letter, the authors have elucidated the effect of alloying biocompatible and lighter
magnesium (Mg) solute atoms in a bicrystalline aluminium (Al) solvent incorporated with a …

Molecular Dynamics Study on Tensile Strength of Ni-10Cu Alloy with Pre-existing Σ3 Grain Boundary

TL Dora, SK Singh, A Verma, RR Mishra - International Conference on …, 2023 - Springer
Molecular dynamics simulations were performed to understand the mechanical properties of
Ni-10Cu alloy with pre-existing faceted Σ3 [111] 60°{11 8 5} grain boundary under uniaxial …

Molecular Dynamics Study on Tensile Strength of Ni-10Cu Alloy with Pre-existing∑ 3 Grain Boundary

TL Dora, SK Singh, A Verma, RR Mishra - Recent Developments in …, 2023 - Springer
Nickel (Ni)–copper (Cu) alloys are one of the highly versatile materials that found various
applications in different fields such as in the chemical industry, petrochemical, marine, oil …