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

Conference · Mon Jul 01 00:00:00 EDT 1985

OSTI ID:5464907

Karo, A M; Hardy, J R; Mehlman, M H

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.

• Research Organization: Lawrence Livermore National Lab., CA (USA); Nebraska Univ., Lincoln (USA). Behlen Lab. of Physics
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 5464907
• Report Number(s): UCRL-91654; CONF-850767-2; ON: DE85015540
• Resource Relation: Conference: 15. international symposium on shock waves and shock tubes, Berkeley, CA, USA, 29 Jul 1985
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
MOLECULAR MODELS
SHOCK WAVES
WAVE PROPAGATION
CANONICAL TRANSFORMATIONS
COMPUTERIZED SIMULATION
FOURIER TRANSFORMATION
SOLIDS
SPALLATION
INTEGRAL TRANSFORMATIONS
MATHEMATICAL MODELS
NUCLEAR REACTIONS
SIMULATION
TRANSFORMATIONS
657006* - Theoretical Physics- Statistical Physics & Thermodynamics- (-1987)