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Surface segregation in high-entropy alloys from alchemical machine learning: ...
High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently,... -
Surface segregation in high-entropy alloys from alchemical machine learning: ...
High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently,... -
Analytical models of short-range order in FCC and BCC alloys
A statistical-mechanics analysis is used to create analytic estimates for the short-range order (SRO) parameters in FCC and BCC solid solution alloys as a function of... -
Modeling high-entropy transition-metal alloys with alchemical compression: da...
Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar... -
Theory-guided design of high-strength, high-melting point, ductile, low-densi...
The search for new high-temperature alloys that can enable higher-efficiency/lower-emissions power generation has accelerated with the discovery of body-centered cubic (bcc)... -
Special quasi-random structures for the 6-component high entropy alloys
We propose a general method to calculate the average misfit volumes of atoms in any random alloy via DFT calculations. The method is validated with an example of a 6-component... -
Vanadium is an optimal element for strengthening in both fcc and bcc high-ent...
The element Vanadium (V) appears unique among alloying elements for providing high strengthening in both the fcc Co-Cr-Fe-Mn-Ni-V and bcc Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr high-entropy... -
A ductility criterion for bcc high entropy alloys
A current goal driving alloy development is the identification of alloy compositions for high temperature applications but with the additional requirement of sufficient... -
EAM potential for Hf-Nb-Ta-Zr high-entropy alloy
This is a LAMMPS readable EAM type potential file for Hf-Nb-Ta-Zr based high-entropy alloys (HEAs). In this potential file the elements are sequenced as Hf, Nb, Ta and Zr,...
