首页> 外文期刊>The Journal of Chemical Physics >Prediction of binary nanoparticle superlattices from soft potentials
【24h】

Prediction of binary nanoparticle superlattices from soft potentials

机译:从软势预测二元纳米颗粒超晶格

获取原文
获取原文并翻译 | 示例
           

摘要

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.
机译:在足够连续的短程电势能够解释壳的柔韧性和声子模式的假设的驱使下,我们提供了比硬球模型更真实的纳米粒子相互作用描述,我们计算了不同半径相互作用的粒子的固相图具有逆幂定律的潜力。从24个候选晶格的池中,相对于其他内部参数优化了自由能,并且p指数(确定电势的短程属性)在p = 12和p = 6之间变化。相图包含正在进行的自组装实验中发现的各个阶段,包括DNA可编程自组装和通过从有机溶剂中蒸发而组装的具有封端配体的纳米粒子。所得相图可以仅作为两个参数的函数而定量映射到现有实验中:纳米粒子半径比(γ)和柔软性不对称性。 (C)2016 AIP出版有限责任公司。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号