Application of molecular dynamics to macroscopic particles
Molecular dynamics research is reviewed with emphasis on current nonequilibrium calculational techniques used to calculate transport coefficients in systems of polyatomic molecules. Many of the numerical methods and numerical-experiment evaluation techniques of that field could be adapted to macroscopic granular material studies. There are, however, significant differences between macroscopic and molecular interactions - differences that considerably modify some of the computational methods and also the interpretation of the calculational results. Macroscopic particles interact with nonconservative interaction forces. Macroscopically available energy is lost from the system during most dynamic interactions - through plastic deformation, friction and breakage. Cundall and Strack are using simplified models of the interaction forces acting between essentially rigid macroscopic particles to study quasi-static deformations in assemblies of two-dimensional circular particles. We are using somewhat similar two-dimensional models in a study of nonequilibrium shearing flow of granular materials. Several verification calculations and tests have confirmed the ability of these computer models to predict the dynamic interactions of macroscopic particles. Preliminary results from shearing flow calculations and corresponding laboratory tests are also in qualitative agreement. Plans for a quantitative study of shear stress dependence on shear rate and other parameters are discussed.
- Research Organization:
- Lawrence Livermore National Lab., CA (USA)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 6914019
- Report Number(s):
- UCRL-90234; CONF-830141-5; ON: DE84011066
- Country of Publication:
- United States
- Language:
- English
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