Bond-order potentials: derivation and parameterization for refractory elements-Reference-Cited by-同舟云学术

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Bond-order potentials: derivation and parameterization for refractory elements

Published:2015-09-18 Issue:7 Volume:23 Page:074004
ISSN:0965-0393
Container-title:Modelling and Simulation in Materials Science and Engineering
language:
Short-container-title:Modelling Simul. Mater. Sci. Eng.

Author:

Drautz Ralf,Hammerschmidt Thomas,Čák Miroslav,Pettifor D G

Funder

Deutsche Forschungsgemeinschaft

Publisher

IOP Publishing

Subject

Computer Science Applications,Mechanics of Materials,Condensed Matter Physics,General Materials Science,Modeling and Simulation

Link

http://stacks.iop.org/0965-0393/23/i=7/a=074004/pdf

Reference72 articles.

1. Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals

2. A simple empirical N-body potential for transition metals

3. New empirical model for the structural properties of silicon

4. Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

5. Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

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1. Complexity of many-body interactions in transition metals via machine-learned force fields from the TM23 data set;npj Computational Materials;2024-05-07

2. Parametrization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re;Physical Review Materials;2024-01-17

3. Simulation of mechanical effects of hydrogen in bicrystalline Cu using DFT and bond order potentials;Procedia Structural Integrity;2024

4. Atomic Cluster Expansion for Quantum-Accurate Large-Scale Simulations of Carbon;Journal of Chemical Theory and Computation;2023-06-22

5. Magnetic bond-order potential for iron-cobalt alloys;Physical Review Materials;2023-04-10

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