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

[摘要] 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.

[发布日期] 2014-08-25

[学科分类] 纳米科学和纳米技术

[关键词] self-assembly;polymer-tethered nanoparticles;patchy particles;digital colloids;molecular dynamics;quasicrystals;directional entropic forces;Dissipative Particle Dynamics simulations;shape matching