3 papers
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-…
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…
A review of heat transport in solvated gold nanoparticles: Molecular dynamics modeling and experimental perspectives
Md Adnan Mahathir Munshi, Emdadul Haque Chowdhury, Luis E. Paniagua-Guerra +3
Turning gold nanoparticles (AuNPs) into nanoscale heat sources via light irradiation has prompted significant research interest, particularly for biomedical applications over the p…