-

 

 

 




Optimization Online





 

Fast Generation of Potentials for Self-Assembly of Particles

Philip du Toit(pdutoit***at***cds.caltech.edu)
Katalin Grubits(katalin***at***cds.caltech.edu)
Jerrold Marsden(marsden***at***cds.caltech.edu)
Sorin Costiner(CostinS***at***utrc.utc.com)

Abstract: We address the inverse problem of designing isotropic pairwise particle interaction potentials that lead to the formation of a desired lattice when a system of particles is cooled. The design problem is motivated by the desire to produce materials with pre-specified structure and properties. We present a heuristic computation-free geometric method, as well as a fast and robust trend optimization method that lead to the formation of high quality honeycomb lattices. The trend optimization method is particularly successful since it is well-suited to efficient optimization of the noisy and expensive objective functions encountered in the self-assembly design problem. We also present anisotropic potentials that robustly lead to the formation of the kagome lattice, a lattice that has not previously been obtained with isotropic potentials.

Keywords: Self-Assembly, Trend optimization

Category 1: Applications -- Science and Engineering (Basic Sciences Applications )

Citation:

Download: [PDF]

Entry Submitted: 05/12/2009
Entry Accepted: 05/12/2009
Entry Last Modified: 05/12/2009

Modify/Update this entry


  Visitors Authors More about us Links
  Subscribe, Unsubscribe
Digest Archive
Search, Browse the Repository

 

Submit
Update
Policies
Coordinator's Board
Classification Scheme
Credits
Give us feedback
Optimization Journals, Sites, Societies
Mathematical Programming Society