Calculating shock Hugoniots with LAMMPS

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Authors
  1. McIntosh, G.W.J.
Corporate Authors
Defence Research and Development Canada, Valcartier Research Centre, Quebec QC (CAN)
Abstract
The molecular modelling program LAMMPS was used to predict the shock Hugoniot relationship (pressure-volume) of aluminum and two explosives, RDX and PETN. The method worked successfully for aluminum but uncertainties in the intermolecular potential and simplifications in crystal model yielded results of the right form and order of magnitude but inaccurate for the two explosives.

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Keywords
molecular modelling;shock Hugoniot
Report Number
DRDC-RDDC-2016-R152 — Scientific Report
Date of publication
01 Aug 2016
Number of Pages
32
DSTKIM No
CA043222
CANDIS No
804516
Format(s):
Electronic Document(PDF)

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