Projects per year
The particle-continuum hybrid Laplacian method is extended as a framework for modeling all transport phenomena in fluids at the micro and nanoscale including multicomponent mass transfer and chemical reactions. The method is explained, and the micro-to-macro and macro-to-micro coupling steps are discussed. Two techniques for noise reduction (namely, the bonsai box (BB) and the seamless strategy) are discussed. Comparisons with benchmark full-molecular dynamics (MD) cases for micro and nano thermal and reacting flows show excellent agreement and good computational efficiency.
- atomistic-continuum hybrid methods
- molecular dynamics
- computational fluid dynamics
- heat transfer
- GRAND-CANONICAL ENSEMBLE
- MOLECULAR-DYNAMICS SIMULATIONS
- MULTISCALE METHOD
Reese, J. & Borg, M.
1/10/13 → 31/03/18
Reese, J., Lockerby, D. A., Emerson, D. R. & Borg, M.
1/01/11 → 16/02/16
Project: Project from a former institution