New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions-Reference-Cited by-同舟云学术

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New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions

Published:2024-03-07 Issue:4 Volume:69 Page:1526-1545
ISSN:0021-9568
Container-title:Journal of Chemical & Engineering Data
language:en
Short-container-title:J. Chem. Eng. Data

Author:

Kroonblawd Matthew P.¹^ORCID,Lafourcade Paul²³^ORCID,Fried Laurence E.¹^ORCID,Maillet Jean-Bernard²³^ORCID,Sewell Tommy⁴^ORCID

Affiliation:

1. Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States

2. CEA DAM DIF, F-91297 Arpajon, France

3. LMCE, Université Paris-Saclay, F-91689 Bruyères-le-Châtel, France

4. Department of Chemistry and Materials Science and Engineering Institute, University of Missouri, Columbia, Missouri 65211, United States

Funder

Lawrence Livermore National Laboratory

Air Force Office of Scientific Research

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jced.3c00756

Reference97 articles.

1. The crystal structure of 1,3,5-triamino-2,4,6-trinitrobenzene

2. Dobratz, B. M. insensitive high explosive triaminotrinitrobenzene (TATB): Development and characterization, 1888 to 1994. 1995; https://www.osti.gov/biblio/90370.

3. Rice, S. F.; Simpson, R. L. The unusual stability of TATB (1,3,5-triamino-2,4,6-trinitrobenzene): A review of the scientific literature. 1990. https://www.osti.gov/biblio/6426268.

4. Östmark, H.; Langlet, A.; Bergman, H.; Wingborg, N.; Wellmar, U.; Bemm, U. FOX-7 - A new explosive with low sensitivity and high performance. In 11th Int. Detonation Symposium, 2000.

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