176 citations · 255 across the 7 of their papers we have counts for
8 papers
First principles model for voids decorated by transmutation solutes: Short-range order effects and application to neutron irradiated tungsten
Duc Nguyen-Manh, Jan S. Wrobel, Michael Klimenkov +3
Understanding how properties of materials change due to nuclear transmutations is a major challenge for the design of structural components for a fusion power plant. In this study,…
Outstanding Radiation Resistance of Tungsten-based High Entropy Alloys
O. El-Atwani, N. Li, M. Li +7
A novel W-based refractory high entropy alloy with outstanding radiation resistance has been developed. The alloy was grown as thin films showing a bimodal grain size distribution…
Dynamic Simulation of Structural Phase Transitions in Magnetic Iron
Pui-Wai Ma, S. L. Dudarev, Jan S. Wróbel
The occurrence of bcc-fcc (-) and fcc-bcc (-) phase transitions in magnetic iron stems from the interplay between magnetic excitations and lattice vibrations. However,…
Short-range order in high entropy alloys:Theoretical formulation and application to Mo-Nb-Ta-V-W system
A. Fernandez-Caballero, J. S. Wrobel, P. M. Mummery +1
In high-entropy alloys (HEAs), the local chemical fluctuations from disordered solute solution state into segregation, precipitation and ordering configurations are complex due to…
Radiation-induced segregation in dilute Re-W solid solutions
Jan S. Wrobel, Duc Nguyen-Manh, Krzysztof J. Kurzydlowski +1
The occurrence of segregation in highly dilute alloys under irradiation is an unusual phenomenon that has so far eluded theoretical explanation. Using ab initio calculations, we ar…
Phase stability of ternary fcc and bcc Fe-Cr-Ni alloys
Jan S. Wrobel, Duc Nguyen-Manh, Mikhail Yu. Lavrentiev +2
The phase stability of fcc and bcc magnetic binary Fe-Cr, Fe-Ni, Cr-Ni alloys and ternary Fe-Cr-Ni alloys is investigated using a combination of density functional theory (DFT), Cl…
Magnetic and Thermodynamic properties of face-centered cubic Fe-Ni alloys
M. Yu. Lavrentiev, J. S. Wrobel, D. Nguyen-Manh +1
A model lattice ab initio parameterised Hamiltonian spanning a broad range of alloy compositions and a large variety of chemical and magnetic configurations has been developed for…
A novel Monte Carlo model and simulations of magnetic alloys for nuclear applications
M. Yu. Lavrentiev, D. Nguyen-Manh, J. Wrobel +1
We develop a Magnetic Cluster Expansion (MCE) model for binary bcc and fcc Fe-Cr alloys, as well as for fcc Fe-Ni alloys, and apply it to the investigation of magnetic properties o…