Showing 1 - 2 of 2 UKAEA Paper Results
2023
UKAEA-CCFE-PR(24)197
Andrew M. Alvarado Chanho Lee Jan S. Wróbel Damian Sobieraj Duc Nguyen-Manh Jonathan D. Poplawsky Saryu Jindal Fensin Enrique Martinez Osman El-Atwani
Short-range order (SRO) in multicomponent concentrated alloys affects their mechanical response. Hence, is paramount to understand how composition modifies the chemical ordering in the system to design materials with optimal properties. We present here a methodology to predict the SRO and thermodynamic properties in chemically complex systems and a…
Purchase2022
UKAEA-CCFE-PR(22)43
Andrew M. Alvarado Hi Vo Tin Jan S. Wr´obel Damian Sobieraj Duc Nguyen-Manh Saryu Jindal Fensin Enrique Martinez Osman El-Atwani
We present a Density Functional Theory-based cluster expansion model to predict the configurational energy of a multicomponent W-Ta-Cr-V-Hf quinary alloy. Coupled with Monte Carlo simulations we show that the model reproduces experimental observations. We analyze the thermodynamic properties of the W.31Ta.34Cr.05V.27Hf.03 system and observe two ph…
Preprint