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cond-mat.mtrl-sci2026
Surface segregation of liquid metal plasma-facing component alloys: A ReaxFF investigation
Md Adnan Mahathir Munshi, Abdul Aziz Shuvo, Mike Kotschenreuther +2
Engineering liquid metal alloys offers a transformative pathway for plasma-facing components (PFC) by enabling chemically tailored surfaces that can simultaneously optimize plasma-…
cond-mat.mtrl-sci2025
Third-Body Stabilization of Supercritical CO2 in CO Oxidation: Development and Application of a ReaxFF Force Field for the CO/O/CO2 System
Emdadul Haque Chowdhury, Masoud Aryanpour, Yun Kyung Shin +3
Supercritical CO2 (scCO2) plays a crucial role as a solvent in separation processes, advanced power cycles, and materials processing. Nonetheless, the atomistic comprehension of ho…