Abstract
Emergent phenomena are unusual because they are not obvious consequences of the design of the systems in which they appear, a feature no less relevant when they are being simulated. Several systems that exhibit surprisingly rich emergent behavior, each studied by molecular dynamics (MD) simulation, are described: (i) Modeling self-assembly processes associated with virus growth reveals the ability to achieve error-free assembly, where paradoxically, near-maximum yields are due to reversible bond formation. (ii) In fluids studied at the atomistic level, complex hydrodynamic phenomena in rotating and convecting fluids - The Taylor- Couette and Rayleigh-Benard instabilities - can be reproduced, despite the limited length and time scales accessible by MD. (iii) Segregation studies of granular mixtures in a rotating drum reproduce the expected, but counterintuitive, axial and radial segregation, while for the case of a vertically vibrated layer a novel form of horizontal segregation is revealed.
Original language | English |
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Pages (from-to) | 87-93 |
Number of pages | 7 |
Journal | Physics Procedia |
Volume | 57 |
Issue number | C |
DOIs | |
State | Published - 2014 |
Event | Workshop on Computer Simulation Studies in Condensed Matter Physics, CSP 2014 - Athens, United States Duration: 24 Feb 2014 → 28 Feb 2014 |
Bibliographical note
Publisher Copyright:© 2014 The Authors. Published by Elsevier B.V.
Keywords
- Atomistic hydrodynamics
- Emergent phenomena
- Granular segregation
- Molecular dynamics simulation
- Self-assembly