First‐Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine‐Learning Interatomic Potentials-Reference-Cited by-同舟云学术

First‐Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine‐Learning Interatomic Potentials

Published:2021-07-23 Issue:35 Volume:33 Page:2102807
ISSN:0935-9648
Container-title:Advanced Materials
language:en
Short-container-title:Adv. Mater.

Author:

Mortazavi Bohayra¹²^ORCID,Silani Mohammad³,Podryabinkin Evgeny V.⁴,Rabczuk Timon⁵,Zhuang Xiaoying¹,Shapeev Alexander V.⁴

Affiliation:

1. Chair of Computational Science and Simulation Technology Institute of Photonics Department of Mathematics and Physics Leibniz Universität Hannover Appelstraße 11 30167 Hannover Germany

2. Cluster of Excellence PhoenixD (Photonics, Optics, and Engineering–Innovation Across Disciplines) Gottfried Wilhelm Leibniz Universität Hannover 30169 Hannover Germany

3. Department of Mechanical Engineering Isfahan University of Technology Isfahan 84156‐83111 Iran

4. Skolkovo Institute of Science and Technology Skolkovo Innovation Center Nobel St. 3 Moscow 143026 Russia

5. College of Civil Engineering Department of Geotechnical Engineering Tongji University Shanghai 1239 China

Publisher

Wiley

Subject

Mechanical Engineering,Mechanics of Materials,General Materials Science

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adma.202102807

Reference56 articles.

1. Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

2. Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

3. A reactive potential for hydrocarbons with intermolecular interactions

4. Development of a ReaxFF Potential for Carbon Condensed Phases and Its Application to the Thermal Fragmentation of a Large Fullerene

5. Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene

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