3 papers
physics.chem-ph2026
Preparation sequence controls oxygen partitioning between boron and lithium on tungsten
Predrag S Krstic, Meral Sharkass, Swarit Dwivedi +3
Classical reactive molecular dynamics of boron- and lithium-conditioned tungsten surfaces show that the order in which boron and oxygen are introduced - not the boron inventory - c…
physics.chem-ph2025
Suitability of ReaxFF potential for MD modelling of lithium across low and high temperatures
Predrag S. Krstic, Swarit Dwivedi, Adri C. T. van Duin +1
Modeling lithium's atomic-scale behavior is critical for its roles in plasma-facing fusion components and lithium-ion batteries, yet it remains challenging across phase regimes. Th…
physics.plasm-ph2024
Effects of size of an oxide layer on the surface properties of lithium irradiated by deuterium plasma
P. S. Krstic, A. Maan. R. Majeski, B. E. Koel
We investigate how growth of an oxide film will influence the deuterium recycling properties of Li on plasma facing surfaces. Lithium films on the walls or plasma-facing material s…