Microscopic simulations of shock propagation in condensed media: comparison between real time and frequency domains

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Computer molecular dynamics (CMD) is now recognized as a very powerful technique for examining the microscopic details of a wide variety of chemical and physical phenomena, including the shock-induced fast decomposition processes that characterize the shock-initiation of energetic materials. The purpose of the present paper is to describe some results obtained by new methods of post processing of CMD data. First we present a pictorial history of a canonical system which is bonded with identical potentials and has identical atomic masses. We then present Fourier transforms of the energy components of different units judiciously chosen to show the ''frequency fingerprint'' ... continued below

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Pages: 9

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Karo, A.M.; Hardy, J.R. & Mehlman, M.H. July 1, 1985.

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Description

Computer molecular dynamics (CMD) is now recognized as a very powerful technique for examining the microscopic details of a wide variety of chemical and physical phenomena, including the shock-induced fast decomposition processes that characterize the shock-initiation of energetic materials. The purpose of the present paper is to describe some results obtained by new methods of post processing of CMD data. First we present a pictorial history of a canonical system which is bonded with identical potentials and has identical atomic masses. We then present Fourier transforms of the energy components of different units judiciously chosen to show the ''frequency fingerprint'' of the shock impact and passage through specific units of the system, including, e.g., the behavior of spalled fragments. To complement these studies, we also display the behavior of our canonical system when defect (point or line) are present. In these studies we monitor the motion of diatoms above and below a line defect consisting of heavy masses. The Fourier transform techniques provide optimum compromise histories which present neither too much nor too little detail.

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Pages: 9

Notes

NTIS, PC A02/MF A01.

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  • 15. international symposium on shock waves and shock tubes, Berkeley, CA, USA, 29 Jul 1985

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  • Other: DE85015540
  • Report No.: UCRL-91654
  • Report No.: CONF-850767-2
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 5464907
  • Archival Resource Key: ark:/67531/metadc1093724

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  • July 1, 1985

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  • Feb. 10, 2018, 10:06 p.m.

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  • March 20, 2018, 6:01 p.m.

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Karo, A.M.; Hardy, J.R. & Mehlman, M.H. Microscopic simulations of shock propagation in condensed media: comparison between real time and frequency domains, article, July 1, 1985; United States. (digital.library.unt.edu/ark:/67531/metadc1093724/: accessed November 19, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.