Sensitivity Analysis of ReaxFF Potential: The Case of Si/O System
Author:
Affiliation:
1. DSM, Applied Science Center, P.O. Box 1066, 6160 BB Geleen, The Netherlands
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c03620
Reference47 articles.
1. ReaxFF: A Reactive Force Field for Hydrocarbons
2. ReaxFFSiO Reactive Force Field for Silicon and Silicon Oxide Systems
3. A reactive molecular dynamics simulation of the silica-water interface
4. Modified embedded-atom potentials for cubic materials and impurities
5. Second-generation charge-optimized many-body potential forSi/SiO2and amorphous silica
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1. Probing the tribological behaviors of a-C films in CO2 environment based on ReaxFF molecular dynamics simulation;Computational Materials Science;2024-02
2. Interfacial Friction Evolution of DLC Films on the Fracturing Pump Plungers During the CO2 Fracturing Process: An Atomic Understanding from ReaxFF Simulations;Tribology Letters;2023-11-14
3. Probing Friction Properties of Hydrogen-Free DLC Films in a Nitrogen Environment Based on ReaxFF Molecular Dynamics;Langmuir;2022-10-21
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