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 …

MultiSOM: Multi-layer Self Organizing Maps for local structure identification in crystalline structures

F Aquistapace, N Amigo, JF Troncoso, O Deluigi… - Computational Materials …, 2023 - Elsevier
Identification of defects in crystalline structures is of vital importance when describing the
plastic behavior of metals. Despite the increasing number of tools available in the literature …

Enhanced energy absorption in high entropy alloys with octet lattice nanostructures

VL Nguyen, MQ Doan, HT Dang, DTH Hue… - International Journal of …, 2024 - Elsevier
The work focuses on the numerical investigation of compressive mechanical behaviors and
energy absorption properties of high entropy alloys (HEAs) with stochastic bicontinuous …

Uniaxial deformation of nanowires in 16 refractory multi-principal element alloys

S Xu, A Al Mamun, S Mu, Y Su - Journal of Alloys and Compounds, 2023 - Elsevier
Metallic nanowires are widely employed as small-scale structural materials due to their
characteristically small volume and high strength compared with their bulk counterparts …

Exploring deformation mechanisms in a refractory high entropy alloy (MoNbTaW)

TL Dora, SK Singh, RR Mishra, H Yu, NK Rawat… - International Journal of …, 2025 - Elsevier
Understanding the deformation behaviour of refractory high-entropy alloy (rHEA) at elevated
temperatures are crucial due to their potential for high-temperature applications. In this …

[HTML][HTML] Unravelling the atomistic-scale insights into tensile response of equiatomic cupronickel alloy with pre-existing faceted grain boundary interface

TL Dora, SK Singh, RR Mishra, R Das, J Gupta… - Results in Surfaces and …, 2024 - Elsevier
The aim of this research work is to investigate the effect of strain rates and temperatures on
the mechanical properties of an equiatomic copper-nickel (Cu–Ni) alloy with a pre-existing …

Interface-dependent dynamic deformation behavior in FCC/BCC high-entropy alloy nanolaminates

H Xie, Z Ma, W Zhang, C Zhu, X Cai, H Zhao… - Applied Surface …, 2025 - Elsevier
Dual-phase high-entropy alloys (DP-HEAs), characterized by an alternation of soft and hard
phases, are expected as promising candidates for structural applications, owing to their …

Mechanical behavior of high entropy alloys with gyroid nanostructures

VL Nguyen, MQ Doan, DTH Hue, VH Dinh - Intermetallics, 2024 - Elsevier
High-entropy alloys have attracted growing attention due to their outstanding mechanical
properties. Recent advances in nanofabrication offer novel avenues for customizing material …

Plastic behavior of a nanoporous high-entropy alloy under compression

O Deluigi, N Amigo, FJ Valencia, F Aquistapace… - Computational Materials …, 2023 - Elsevier
Nanoporous High-entropy alloys (HEA) have attracted increasing attention in recent years
due to their remarkable mechanical properties and their capability as storage devices …

Synergistic effects of temperature and strain rate on tensile properties of simulated Ni-6Cu alloy with Σ3 non-Arrhenius grain boundary

TL Dora, SK Singh, Kriti, RR Mishra… - Molecular Simulation, 2024 - Taylor & Francis
Comprehending the mechanical response of materials on an atomic level is pivotal in the
optimisation of advanced materials with superior mechanical properties. This research …