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.
|Number of pages||7|
|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 notePublisher Copyright:
© 2014 The Authors. Published by Elsevier B.V.
- Atomistic hydrodynamics
- Emergent phenomena
- Granular segregation
- Molecular dynamics simulation