47 citations · 87 across the 6 of their papers we have counts for
7 papers
Efficient training of machine learning potentials for metallic glasses: CuZrAl validation
Antoni Wadowski, Anshul D. S. Parmar, Filip Kaśkosz +4
Interatomic potentials are key to uncovering microscopic structure-property relationships, essential for multiscale simulations and high-throughput experiments. For metallic glasse…
Segregation, ordering, and precipitation in WTaV-based concentrated refractory alloys
Jesper Byggmästar, Damian Sobieraj, Jan S. Wróbel +4
Tungsten-based low-activation high-entropy alloys are possible candidates for next-generation fusion reactors due to their exceptional tolerance to irradiation, thermal loads, and…
Enhancing Irradiation Resistance in Refractory Medium Entropy Alloys with Simplified Chemistry
M. A. Tunes, D. Parkison, B. Sun +12
Refractory High-Entropy Alloys (RHEAs) hold promising potential to be used as structural materials in future nuclear fusion reactors, where W and its alloys are currently leading c…
An innovative materials design protocol for the development of novel refractory high-entropy alloys for extreme environments
O. El Atwani, H. T. Vo, M. Tunes +16
In the quest of new materials that can withstand severe irradiation and mechanical extremes for advanced applications (e.g. fission reactors, fusion devices, space applications, et…
First-principles analysis of the Al-rich corner of Al-Li-Cu phase diagram
S. Liu, J. S. Wróbel, J. LLorca
The phase diagram of Al-Li-Cu system in the Al-rich region was determined by means of first-principles calculations and statistical mechanics. The mixing enthalpies of many configu…
Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloys
Jan S. Wróbel, Marcin R. Zemła, Duc Nguyen-Manh +5
Point defects in body-centred cubic Fe, Cr and concentrated random magnetic Fe-Cr are investigated using density functional theory and theory of elasticity. The volume of a substit…
Magnetic Cluster Expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys
M. Y. Lavrentiev, J. S. Wróbel, D. Nguyen-Manh +2
A Magnetic Cluster Expansion (MCE) model for ternary face-centered cubic Fe-Ni-Cr alloys has been developed using DFT data spanning binary and ternary alloy configurations. Using t…