期刊
JOURNAL OF CHEMICAL PHYSICS
卷 144, 期 1, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4939238
关键词
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资金
- U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials, Materials Science and Engineering Division
- US DOE by Iowa State University [DE-AC02-07CH11358]
Driven by the hypothesis that a sufficiently continuous short-ranged potential is able to account for shell flexibility and phonon modes and therefore provides a more realistic description of nanoparticle interactions than a hard sphere model, we compute the solid phase diagram of particles of different radii interacting with an inverse power law potential. From a pool of 24 candidate lattices, the free energy is optimized with respect to additional internal parameters and the p-exponent, determining the short-range properties of the potential, is varied between p = 12 and p = 6. The phase diagrams contain the phases found in ongoing self-assembly experiments, including DNA programmable self-assembly and nanoparticles with capping ligands assembled by evaporation from an organic solvent. The resulting phase diagrams can be mapped quantitatively to existing experiments as a function of only two parameters: Nanoparticle radius ratio (gamma) and softness asymmetry. (C) 2016 AIP Publishing LLC.
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