Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

A data-driven framework is presented for building magneto-elastic machine-learning
interatomic potentials (ML-IAPs) for large-scale spin-lattice dynamics simulations. The …

A unified model of molecular and atomistic spin dynamics is presented enabling simulations
both in microcanonical and canonical ensembles without the necessity of additional …

The magnetic properties of Ni nanoparticles (NPs) with diameter D are investigated using
spin-lattice dynamics (SLD) simulations. Using exchange interactions fitted to ab-initio …

We present an introductory review of concepts behind micromagnetic simulations, in which
magnetic moments representing collections of atomic spins within a material evolve …

We present a methodology based on the Néel model to build a classical spin-lattice
Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin …

Compression of a magnetic material leads to a change in its magnetic properties. We
examine this effect using spin-lattice dynamics for the special case of bcc-Fe, using both …

The spin and lattice dynamics of a ferromagnetic nanoparticle are studied via molecular
dynamics and with semi-classical spin dynamics simulations where spin and lattice degrees …

Iron nanoparticles are among the most promising low-dimensional materials in terms of
applications. This particularity is attributable to the magnetic properties of these …

This work proposes a computationally efficient approach for estimating the magnetization of
Fe 0. 7 Ni 0. 3 body-centered cubic (bcc) nanoparticles (NPs) at room temperature using …