[HTML][HTML] Chemical short-range orders in high-/medium-entropy alloys

X Wu - Journal of Materials Science & Technology, 2023 - Elsevier
High (or medium)-entropy alloys (H/MEAs) are complex concentrated solid solutions prone
to develop the chemical short-range orders (CSROs), as an indispensable structural …

[HTML][HTML] Recent progress in our understanding of phase stability, atomic structures and mechanical and functional properties of high-entropy alloys

H Inui, K Kishida, Z Chen - Materials Transactions, 2022 - jstage.jst.go.jp
This paper reviews a current trend and recent progress in research on phase stability,
atomic structures, mechanical and functional properties of high-entropy alloys. The survey is …

[HTML][HTML] Atomistic simulation of chemical short-range order in HfNbTaZr high entropy alloy based on a newly-developed interatomic potential

X Huang, L Liu, X Duan, W Liao, J Huang, H Sun… - Materials & Design, 2021 - Elsevier
Chemical short-range order (CSRO) in high entropy alloys (HEAs) has attracted interests
recently and is believed to be capable for tuning their mechanical properties. However, the …

Atomistic simulations of the local slip resistances in four refractory multi-principal element alloys

RA Romero, S Xu, WR Jian, IJ Beyerlein… - International Journal of …, 2022 - Elsevier
The design and development of structural materials that can survive under the extreme
conditions of operation are critical to next generation aerospace and energy technologies …

Effect of lattice distortion and nanovoids on the shock compression behavior of (Co-Cr-Cu-Fe-Ni) high entropy alloy

SK Singh, A Parashar - Computational Materials Science, 2022 - Elsevier
In this article, non-equilibrium molecular dynamics-based simulations were performed to
study the effect of shock compression on the deformation governing mechanism of high …

[HTML][HTML] Theory of history-dependent multi-layer generalized stacking fault energy—A modeling of the micro-substructure evolution kinetics in chemically ordered …

P Yu, JP Du, S Shinzato, FS Meng, S Ogata - Acta Materialia, 2022 - Elsevier
In this study, a chemical order related concept “history-dependent multi-layer generalized
stacking fault energy”(HDML-GSFE) was proposed, and it was then demonstrated by …

Effect of lattice distortion and grain size on the crack tip behaviour in Co-Cr-Cu-Fe-Ni under mode-I and mode-II loading

SK Singh, A Parashar - Engineering Fracture Mechanics, 2022 - Elsevier
In this article, molecular dynamics (MD) based simulations were performed to study the
crack tip behaviour in single and polycrystalline configurations of five elemental (Co-Cr-Cu …

Effects of grain boundary and chemical short-range order on mechanical properties of NiCoCr multi-principal element alloys: A molecular dynamics simulations

R Akter, M Khan, MNM Nobin, MS Ali… - Materials Today …, 2023 - Elsevier
Due to their outstanding mechanical properties, multi-principal element alloys (MPEAs) are
attracting exceptional interest. In this work, we used molecular dynamics (MD) simulations to …

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 …

Highly pressurized helium nanobubbles promote stacking-fault-mediated deformation in FeNiCoCr high-entropy alloy

WT Lin, D Chen, CQ Dang, PJ Yu, G Wang, JH Lin… - Acta Materialia, 2021 - Elsevier
Tailoring nanoscale defect structures for desirable deformation behaviors is crucial to
designing and optimizing the mechanical properties of alloys. Distinguishing from the …