First-principles approaches to magnetoelectric multiferroics
Magnetoelectric multiferroics, which display both ferroelectric and magnetic orders, are
appealing because of their rich fundamental physics and promising technological …
appealing because of their rich fundamental physics and promising technological …
Interatomic Interaction Models for Magnetic Materials: Recent Advances
TS Kostiuchenko, AV Shapeev… - Chinese Physics …, 2024 - iopscience.iop.org
Atomistic modeling is a widely employed theoretical method of computational materials
science. It has found particular utility in the study of magnetic materials. Initially, magnetic …
science. It has found particular utility in the study of magnetic materials. Initially, magnetic …
An accurate machine learning interatomic potential for FCC and HCP nickel
Nickel (Ni) is a commonly used metal and critical component in various structural alloys such
as superalloys. It exhibits two allotropy phases, namely stable face-centered cubic (FCC) …
as superalloys. It exhibits two allotropy phases, namely stable face-centered cubic (FCC) …
Core structure of dislocations in ordered ferromagnetic FeCo
We elucidated the core structure of screw dislocations in ordered B2 FeCo using a recent
magnetic bond-order potential (BOP)[Egorov, Phys. Rev. Mater. 7, 044403 (2023) 2475 …
magnetic bond-order potential (BOP)[Egorov, Phys. Rev. Mater. 7, 044403 (2023) 2475 …
Parametrization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re
Interatomic potentials provide a means to simulate extended length and time scales that are
outside the reach of ab initio calculations. The development of an interatomic potential for a …
outside the reach of ab initio calculations. The development of an interatomic potential for a …
Molecular dynamics study on the deformation and fracture of FeCo-based alloys
MA Hernandez Muralles - 2024 - dr.ntu.edu.sg
In this research, we primarily formulated interatomic potentials for the Fe-Co system using
the formalism of the second nearest-neighbor modified embedded-atom method (2NN …
the formalism of the second nearest-neighbor modified embedded-atom method (2NN …
Atomistic simulation of partitioning in superalloys
I Pietka - 2024 - hss-opus.ub.ruhr-uni-bochum.de
RUB-Repository - Atomistic simulation of partitioning in superalloys Deutsch OPUS UB Bochum
RUB » Bibliotheksportal Home Search Browse Publish FAQ OPUS UB Bochum Atomistic …
RUB » Bibliotheksportal Home Search Browse Publish FAQ OPUS UB Bochum Atomistic …