Energy landscape in NiCoCr-based middle-entropy alloys

NA Zarkevich, TM Smith, JW Lawson - Journal of Alloys and Compounds, 2023 - Elsevier
NiCoCr middle-entropy alloy is known for its exceptional strength at both low and elevated
operating temperatures. Mechanical properties of NiCoCr-based alloys are affected by …

Local-concentration-based descriptor predicting the stacking fault energy of refractory high-entropy alloys

C Ma, W Gao - Physical Review Materials, 2023 - APS
Refractory high-entropy alloys (RHEAs) show the potential for high-temperature structural
materials, but their brittleness and low ductility at room temperature prohibit the processing …

Influence of Mn Doping on Local Spin Moments and Stacking Fault Energies in Co (Mn) Alloys

K Cole-Piepke, P Nakarmi, A Koenig, GB Thompson… - Magnetochemistry, 2023 - mdpi.com
We report on the results of first principles calculations investigating the influences of Mn
doping on the local moments and stacking fault energies (SFEs) in the Co 95.8 Mn 4.2 and …

Structure and thermal expansion of coordination shells in solid and liquid Invar alloys by molecular dynamics study

C Fu, X Zhang, Y Duan, Y Xia, T Li, X Dai… - Journal of Applied …, 2020 - pubs.aip.org
Classical molecular dynamics simulations have been performed to study the atomic
structures and thermal expansion of coordination shells in solid and liquid Invar alloys …

Chemically controlled radiation resistance of single-phase fcc Ni-Fe-Cr concentrated solid solutions

AV Korchuganov, OA Berezikov - Letters on Materials, 2024 - lettersonmaterials.com
Chemically controlled size distribution of point defect clusters generated by single
displacement cascades determines amount and sizes of radiation defects under prolonged …

[PDF][PDF] Chemical ordering and magnetism in face-centered cubic CrCoNi alloy

S Ghosh, K Ueltzen, J George, J Neugebauer… - 2024 - opus4.kobv.de
The impact of magnetism on chemical ordering in face-centered cubic CrCoNi medium
entropy alloy is studied by a combination of ab initio simulations, machine learning …

Simulated nanoindentation into single-phase fcc Fe [Formula: see text] Ni [Formula: see text] alloys predicts maximum hardness for equiatomic stoichiometry.

A Alhafez, OR Deluigi, D Tramontina, CJ Ruestes… - Scientific …, 2023 - europepmc.org
We investigate by molecular dynamics simulation the mechanical behavior of concentrated
alloys under nanoindentation for the special example of single-phase fcc Fe x Ni 1-x alloys …

[图书][B] Defect Properties in High Entropy Alloys from Atomistic Calculations and Machine Learning

G Arora - 2022 - search.proquest.com
Over the past decade, high entropy alloys (HEAs) have gathered extensive attention due to
their exceptional mechanical properties. The properties include thermal stability, improved …

An optimized random structures generator governed by chemical short-range order for multi-component solid solutions

P Yu, JP Chou, YC Lo, A Hu - Modelling and Simulation in …, 2019 - iopscience.iop.org
Multi-component random solid solutions have caused much interest for research because
they often exhibit excellent mechanical properties. Many computational efforts have been …

Computational Investigation of Planar Fault Structures in Ni-based Concentrated Alloys

L Xu - 2022 - trace.tennessee.edu
Abstract The Nickel-based Cantor-type concentrated alloys have drawn tremendous
research interest as they exhibit great potential for advanced structural materials. The origins …