70 citations · 164 across the 5 of their papers we have counts for
5 papers
Thermal Transport in SiC with Intrinsic Defects and Mg Transmutation Products
Chen Shen, Yang Su, Maciej P. Polak +5
Silicon carbide is a leading candidate material for advanced nuclear energy systems, but irradiation-induced defects and transmutation products can severely degrade its thermal con…
Dynamic Formation of Preferentially Lattice Oriented, Self Trapped Hydrogen Clusters
M. A. Cusentino, E. L. Sikorski, M. J. McCarthy +2
A series of MD and DFT simulations were performed to investigate hydrogen self-clustering and retention in tungsten. Using a newly develop machine learned interatomic potential, sp…
Machine Learned Interatomic Potential for Dispersion Strengthened Plasma Facing Components
E. L. Sikorski, M. A. Cusentino, M. J. McCarthy +3
Tungsten (W) is a material of choice for the divertor material due to its high melting temperature, thermal conductivity, and sputtering threshold. However, W has a very high britt…
Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems
Mary Alice Cusentino, Mitchell A. Wood, Aidan P. Thompson
A natural extension of the descriptors used in the Spectral Neighbor Analysis Potential (SNAP) method is derived to treat atomic interactions in chemically complex systems. Atomic…
Data-driven Material Models for Atomistic Simulation
Mitchell A. Wood, Mary Alice Cusentino, Brian D. Wirth +1
The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and inge…