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Title: Final Report for Grant # DE-FG02-02ER46000 Simulations of Self-Assembly of Tethered Nanoparticle Shape Amphiphiles

Self-assembly of nanoparticle building blocks including nanospheres, nanorods, nanocubes, nano plates, nanoprisms, etc., may provide a promising means for manipulating these building blocks into functional and useful materials. One increasingly popular method for self-assembly involves functionalizing nanoparticles and nanostructured molecules with “tethers” of organic polymers or biomolecules with specific or nonspecific interactions to facilitate their assembly. However, there is little theory and little understanding of the general principles underlying self-assembly in these complex materials. Using computer simulation to elucidate the principles of self-assembly and develop a predictive theoretical framework was the central goal of this project.
  1. The University of Michigan
Publication Date:
OSTI Identifier:
Report Number(s):
DOE Contract Number:
Resource Type:
Technical Report
Research Org:
The University of Michigan, Ann Arbor MI 48109
Sponsoring Org:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
77 NANOSCIENCE AND NANOTECHNOLOGY self-assembly; polymer-tethered nanoparticles; patchy particles; digital colloids; molecular dynamics; quasicrystals; directional entropic forces; Dissipative Particle Dynamics simulations; shape matching