56 citations · 130 across the 5 of their papers we have counts for
5 papers
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…
A feasibility analysis towards the simulation of hysteresis with spin-lattice dynamics
G. dos Santos, F. Romá, J. Tranchida +3
We use spin-lattice dynamics simulations to study the possibility of modeling the magnetic hysteresis behavior of a ferromagnetic material. The temporal evolution of the magnetic a…
Quantum-accurate magneto-elastic predictions with classical spin-lattice dynamics
Svetoslav Nikolov, Mitchell A. Wood, Attila Cangi +5
A data-driven framework is presented for building magneto-elastic machine-learning interatomic potentials (ML-IAPs) for large-scale spin-lattice dynamics simulations. The magneto-e…
Size and temperature dependent magnetization of iron nanoclusters
G. Dos Santos, R. Aparicio, D. Linares +4
The magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics (SD) simulations coupled to molecular dynamics (MD-SD),…
Efficient Optimization Method for Finding Minimum Energy Paths of Magnetic Transitions
Aleksei V. Ivanov, Damjan Dagbartsson, Julien Tranchida +2
Efficient algorithms for the calculation of minimum energy paths of magnetic transitions are implemented within the geodesic nudged elastic band (GNEB) approach. While an objective…