Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session T24: Matter at Extreme Conditions: Carbon and Related Materials
11:30 AM–2:18 PM,
Thursday, March 17, 2022
Room: McCormick Place W-186C
Sponsoring
Unit:
GSCCM
Chair: Romain Perriot, Los Alamos National Laboratory
Abstract: T24.00008 : Kinetics of Diamond Formation from Temperature Extrapolatable Kinetics Model built using Molecular Dynamics Simulations*
1:18 PM–1:30 PM
Presenter:
Vincent Dufour Decieux
(Stanford University Materials Science and Engineering)
Authors:
Vincent Dufour Decieux
(Stanford University Materials Science and Engineering)
Evan J Reed
(Stanford Rsch Lab)
Brandi Ransom
(Stanford University Materials Science and Engineering)
Jose Blanchet
(Stanford University Management Science and Engineering Department)
In this work, we present a detailed kinetics model of this mechanism built using molecular dynamics simulations. To correctly describe the reactions between small molecules, but also the growth of long carbon particles, microscopic reactions were defined in terms of atoms and their local environment. This description also allowed us to build a kinetics model that can be accurately extrapolated in time and temperature, so predictions are made on a wide range of temperature and are not limited by the computational cost of molecular dynamics simulations.
We found that additional demixing or dihydrogen absorption mechanisms are necessary to explain the observation of diamond in static compression experiments, and shockwave experiments may be too short to form diamond.
*Material in this presentation is based upon work supported by the Air Force Office of Scientific Research under award number FA9550-20-1-0397.
Follow Us |
Engage
Become an APS Member |
My APS
Renew Membership |
Information for |
About APSThe American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics. |
© 2025 American Physical Society
| All rights reserved | Terms of Use
| Contact Us
Headquarters
1 Physics Ellipse, College Park, MD 20740-3844
(301) 209-3200
Editorial Office
100 Motor Pkwy, Suite 110, Hauppauge, NY 11788
(631) 591-4000
Office of Public Affairs
529 14th St NW, Suite 1050, Washington, D.C. 20045-2001
(202) 662-8700