Simulation study of the elastic mechanical properties of HMX

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Results of calculations of the elastic mechanical response of crystalline HMX polymorphs are summarized. The work is based on atomistic molecular dynamics and Monte Carlo simulations. Principal achievements are: (1) prediction of room temperature and pressure elastic tensors for {beta}-, {alpha}- and {delta}-HMX; (2) calculation of room temperature isotherms for each polymorph; (3) extraction of initial bulk modulus and pressure derivative from the isotherm; and (4) 'discovery' of a pressure induced phase transition in {alpha}-HMX (preliminary result). Details of the work, and implications, will be discussed.

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16 p.

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Sewell, T. D. (Thomas D.) January 1, 2002.

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Description

Results of calculations of the elastic mechanical response of crystalline HMX polymorphs are summarized. The work is based on atomistic molecular dynamics and Monte Carlo simulations. Principal achievements are: (1) prediction of room temperature and pressure elastic tensors for {beta}-, {alpha}- and {delta}-HMX; (2) calculation of room temperature isotherms for each polymorph; (3) extraction of initial bulk modulus and pressure derivative from the isotherm; and (4) 'discovery' of a pressure induced phase transition in {alpha}-HMX (preliminary result). Details of the work, and implications, will be discussed.

Physical Description

16 p.

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  • Submitted to: 12th Detonation Symposium, August 11-16, 2002, San Diego, CA

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  • Report No.: LA-UR-02-5015
  • Grant Number: none
  • Office of Scientific & Technical Information Report Number: 976276
  • Archival Resource Key: ark:/67531/metadc931163

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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  • January 1, 2002

Added to The UNT Digital Library

  • Nov. 13, 2016, 7:26 p.m.

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  • Dec. 12, 2016, 4:49 p.m.

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Sewell, T. D. (Thomas D.). Simulation study of the elastic mechanical properties of HMX, article, January 1, 2002; United States. (digital.library.unt.edu/ark:/67531/metadc931163/: accessed September 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.