27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 emergent phenomena via molecular dynamics

D. C. Rapaport

Research output: Contribution to journalConference articlepeer-review

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 languageEnglish
Pages (from-to)87-93
Number of pages7
JournalPhysics Procedia
Volume57
Issue numberC
DOIs
StatePublished - 2014
EventWorkshop on Computer Simulation Studies in Condensed Matter Physics, CSP 2014 - Athens, United States
Duration: 24 Feb 201428 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

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