Complex crystal structures formed by the self assembly of di-tethered nanospheres

Local Ordering Of Polymer-Tethered Nanospheres And Nanorods And The Stabilization Of The Double Gyroid Phase

We present results of Brownian dynamics simulations of tethered nanospheres and tethered nanorods. Immiscibility between tether and nanoparticle facilitates microphase separation into the bicontinuous, double gyroid structure (first reported by Iacovella et al. [Phys. Rev. E 75 (2007)] and Horsch et al. [J. Chem. Phys. 125 (2006)] respectively). We demonstrate the ability of these nanoparticles to adopt distinct, minimal energy local packings, in which nanospheres form icosahedral-like clusters and nanorods form splayed hexagonal bundles. These local structures reduce packing frustration withi…

Icosahedral packing of polymer-tethered nanospheres and stabilization of the gyroid phase

We present results of molecular simulations that predict the phases formed by the self-assembly of model nanospheres functionalized with a single polymer "tether", including double gyroid, perforated lamella and crystalline bilayer phases. We show that microphase separation of the immiscible tethers and nanospheres causes confinement of the nanoparticles, which promotes local icosahedral packing that stabilizes the gyroid and perforated lamella phases. We present a new metric for determining the local arrangement of particles based on spherical harmonic "fingerprints", which we use to quantify…

球形限域下溶液态二嵌段共聚物自组装形成的具有多面体排布补丁的纳米球

Nanospheres with Patches Arranged in Polyhedrons from Self-Assembly of Solution-State Diblock Copolymers under Spherical Confinement

本研究通过模拟退火技术探究球形纳米孔限域下两亲性二嵌段共聚物的自组装，获得多种补丁纳米球结构并构建相图，揭示了补丁排布的多面体规律及相互作用对结构的调控机制。

Theoretical description of a DNA-linked nanoparticle self-assembly

Nanoparticles tethered with DNA strands are promising building blocks for bottom-up nanotechnology, and a theoretical understanding is important for future development. Here we build on approaches developed in polymer physics to provide theoretical descriptions for the equilibrium clustering and dynamics, as well as the self-assembly kinetics of DNA-linked nanoparticles. Striking agreement is observed between the theory and molecular modeling of DNA tethered nanoparticles.

Phase behavior of ditethered nanospheres

We report the results from a computational study of the self-assembly of amphiphilic ditethered nanospheres using molecular simulation. We explore the phase behavior as a function of nanosphere diameter, interaction strength, and directionality of the tether-tether interactions. We predict the formation of seven distinct ordered phases. We compare these structures with those observed in linear and star triblock copolymer systems.

几何失稳引导具有结晶配体束的纳米粒子自组装

Geometric Frustration Directs the Self-Assembly of Nanoparticles with Crystallized Ligand Bundles

本文提出由吸引性杆与排斥性球构成的极简粗粒化模型，以描述带结晶配体束的纳米粒子，并揭示几何失稳如何调控自限制团簇及低维介观结构。