Controlling crystal self-assembly using a real-time feedback scheme

J Chem Phys. 2013 Mar 7;138(9):094502. doi: 10.1063/1.4793527.

Abstract

We simulate crystallisation of hard spheres with short-ranged attractive potentials as a model self-assembling system. Using measurements of correlation and response functions, we develop a method whereby the interaction parameters between the particles are automatically tuned during the assembly process, in order to obtain high-quality crystals and avoid kinetic traps. The method we use is independent of the details of the interaction potential and of the structure of the final crystal-we propose that it can be applied to a wide range of self-assembling systems.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation*
  • Crystallization
  • Time Factors