LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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 …
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …
Spin-lattice-dynamics analysis of magnetic properties of iron under compression
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 …
examine this effect using spin-lattice dynamics for the special case of bcc-Fe, using both …
Computational study of elastic waves generated by ultrafast demagnetization in fcc Ni
Picosecond ultrasonics is a fast growing and advanced research field with broad application
to the imaging and characterization of nanostructured materials as well as at a fundamental …
to the imaging and characterization of nanostructured materials as well as at a fundamental …
MAELAS: MAgneto-ELAStic properties calculation via computational high-throughput approach
In this work, we present the program MAELAS to calculate magnetocrystalline anisotropy
energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an …
energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an …
Elastic anisotropy and its temperature dependence for cubic crystals revealed by molecular dynamics simulations
H Mei, F Wang, J Li, L Kong - Modelling and Simulation in …, 2023 - iopscience.iop.org
The temperature dependent phonon dispersions of BCC iron and tungsten were measured
by running molecular dynamics simulations, based on which the elastic constants and …
by running molecular dynamics simulations, based on which the elastic constants and …
Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron
Computational tools to study thermodynamic properties of magnetic materials have, until
recently, been limited to phenomenological modeling or to small domain sizes limiting our …
recently, been limited to phenomenological modeling or to small domain sizes limiting our …
[HTML][HTML] Spin-lattice dynamics simulation of the Einstein–de Haas effect
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 …
dynamics and with semi-classical spin dynamics simulations where spin and lattice degrees …
Angular momentum conservation in spin-lattice dynamics simulations
JR Cooke III, JR Lukes - Physical Review B, 2023 - APS
Kuzkin's angular momentum balance method is implemented in the LAMMPS SPIN package
for atomistic spin-lattice dynamics, along with shifted-force exchange and Néel Hamiltonians …
for atomistic spin-lattice dynamics, along with shifted-force exchange and Néel Hamiltonians …
Atomistic simulations of magnetoelastic effects on sound velocity
In this work, we leverage atomistic spin-lattice simulations to examine how magnetic
interactions impact the propagation of sound waves through a ferromagnetic material. To …
interactions impact the propagation of sound waves through a ferromagnetic material. To …
Automated calculations of exchange magnetostriction
We present a methodology based on deformations of the unit cell that allows to compute the
isotropic magnetoelastic constants, isotropic magnetostrictive coefficients and spontaneous …
isotropic magnetoelastic constants, isotropic magnetostrictive coefficients and spontaneous …