Parametric Study of ReaxFF Simulation Parameters for Molecular Dynamics Modeling of Reactive Carbon Gases-Reference-Cited by-同舟云学术

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Parametric Study of ReaxFF Simulation Parameters for Molecular Dynamics Modeling of Reactive Carbon Gases

Published:2012-08-07 Issue:9 Volume:8 Page:3003-3008
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jensen Benjamin D.¹,Bandyopadhyay Ananyo¹,Wise Kristopher E.²,Odegard Gregory M.¹

Affiliation:

1. Department of Mechanical Engineering—Engineering Mechanics, Michigan Technological University, Houghton, Michigan 49931, United States

2. Advanced Materials and Processing Branch, NASA Langley Research Center, Hampton, Virginia 23681, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300491d

Reference30 articles.

1. In situmechanical property measurements of amorphous carbon–boron nitride nanotube nanostructures

2. Insights in the Plasma-Assisted Growth of Carbon Nanotubes through Atomic Scale Simulations: Effect of Electric Field

3. Effect of the carbon ion energy on the microstructure of ta-C/Cr multilayers

4. Fullerenes as precursors for diamond film growth without hydrogen or oxygen additions

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