Machine-learned interatomic potentials for accurate analysis of the mechanical properties of boron nitride sheets

Machine-learned interatomic potentials for accurate analysis of the mechanical properties of boron nitride sheets

We introduced a novel machine-learned interatomic potential (MLIP) by thoroughly discussing the step–by–step MLIP creation process using precise but limited data. This study explored the mechanical properties of hexagonal boron nitride (hBN) nanosheets and addressed the challenges of accurately pred...

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Bibliographic Details
Main Authors: Vijay Choyal, Mahesh Patil, Nitin Luhadiya, S I Kundalwal
Format: Article
Language:English
Published: IOP Publishing 2024-01-01
Series:JPhys Materials
Subjects:
ab initio molecular dynamics
boron nitride
classical molecular dynamics
density functional theory
machine learning
mechanical properties
Online Access:https://doi.org/10.1088/2515-7639/ad9635

Internet

https://doi.org/10.1088/2515-7639/ad9635

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