Simulations of Self-Assembly of Tethered Nanoparticle Shape Amphiphiles. Final Report.

Glotzer, S. C.

Technical Information Center Oak Ridge Tennessee

关键词: Nanoparticles;    Polymers;    Biomolecules;    Computerized simulation;    Interactions;   

RP-ID  :  DE141150856

学科分类：工程和技术（综合）

美国|英语

来源: National Technical Reports Library

【 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.