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Updated: Jan 21, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten
Luis Sandoval1, Danny Perez1, Blas P Uberuaga2
1Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.
Abstract:
One of the most critical challenges for the successful adoption of nuclear fusion power corresponds to plasma-facing materials. Due to its favorable properties in this context (low sputtering yield, high thermal conductivity, high melting point, among others), tungsten is a leading candidate material. Nevertheless, tungsten is affected by the plasma and fusion byproducts. Irradiation by helium nuclei, in particular, strongly modifies the surface structure by a synergy of processes, whose origin is the nucleation and growth of helium bubbles. In this review, we present recent advances in the understanding of helium effects in tungsten from a simulational approach based on accelerated molecular dynamics, which emphasizes the use of realistic parameters, as are expected in experimental and operational fusion power conditions.
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