Revealing the deformation mechanisms of< 110> symmetric tilt grain boundaries in CoCrNi medium-entropy alloy

D Hua, Q Zhou, Y Shi, S Li, K Hua, H Wang, S Li… - International Journal of …, 2023 - Elsevier
The synergy of multiple deformation mechanisms responsible for the excellent mechanical
properties attracts an increasing interest in CoCrNi medium entropy alloy (MEA). In this …

Effects of short range ordering on the generalized stacking fault energy and deformation mechanisms in FCC multiprincipal element alloys

L Zhu, Z Wu - Acta Materialia, 2023 - Elsevier
Abstract Equiatomic FCC CrCoNi, VCoNi and CrCoNiFeMn exhibit distinctly different
deformation mechanisms where twinning is prevalent in CrCoNi and CrCoNiFeMn, but not …

Basics of density functional theory, molecular dynamics, and monte carlo simulation techniques in materials science

SK Singh, A Chaurasia, A Verma - Coating materials: Computational …, 2023 - Springer
Materials science is an important part of engineering to discover new materials for various
applications. Computational techniques are the essential tool to identify and analyze various …

Optimizing high-entropy alloys using deep neural networks

S Papanikolaou, DJ Armaghani, AS Mohammed… - Materialia, 2024 - Elsevier
Exceptional mechanical properties of multi-principal element alloys have been typically
achieved through manual trial-and-error approaches. The advances in artificial neural …

[HTML][HTML] The Fe addition as an effective treatment for improving the radiation resistance of fcc NixFe1-x single-crystal alloys

E Wyszkowska, C Mieszczynski, A Azarov… - Journal of Nuclear …, 2023 - Elsevier
In this work, five different compositions of fcc Ni and Ni x Fe 1-x single crystal alloys namely
Ni, Ni 0.88 Fe 0.12, Ni 0.77 Fe 0.23, Ni 0.62 Fe 0.38, Ni 0.38 Fe 0.62 were irradiated by 1.5 …

Unbiased Atomistic Predictions of Crystal Dislocation Dynamics using Bayesian Force Fields

CJ Owen, AD Naghdi, A Johansson, D Massa… - arxiv preprint arxiv …, 2024 - arxiv.org
Crystal dislocation dynamics, especially at high temperatures, represents a subject where
experimental phenomenological input is commonly required, and parameter-free …

[HTML][HTML] High Entropy Alloy Composition Design for Mechanical Properties

AH Naghdi, D Massa, K Karimi, S Papanikolaou - 2024 - intechopen.com
Multi-component high-entropy alloys (HEAs) are a novel class of materials exhibiting
outstanding material properties that often surpassing their traditional counterparts. Despite …