Rational design of two-dimensional nanofillers for polymer nanocomposites toward multifunctional applications

X Shen, Q Zheng, JK Kim - Progress in Materials Science, 2021‏ - Elsevier
Nanocomposites consisting of two-dimensional (2D) nanostructured fillers embedded in a
polymer matrix find ample opportunities to design multifunctional materials for new …

CHARMM: the biomolecular simulation program

BR Brooks, CL Brooks III… - Journal of …, 2009‏ - Wiley Online Library
Abstract CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and
widely used molecular simulation program. It has been developed over the last three …

HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations

JA Anderson, J Glaser, SC Glotzer - Computational Materials Science, 2020‏ - Elsevier
HOOMD-blue is a particle simulation engine designed for nano-and colloidal-scale
molecular dynamics and hard particle Monte Carlo simulations. It has been actively …

Numerical calculation of the rate of crystal nucleation in a Lennard‐Jones system at moderate undercooling

P Rein ten Wolde, MJ Ruiz‐Montero… - The Journal of chemical …, 1996‏ - pubs.aip.org
We report a computer‐simulation study of the rate of homogeneous crystal nucleation and
the structure of crystal nuclei in a Lennard‐Jones system at moderate undercooling. The …

Spontaneous formation of liquid crystals in ultralarge graphene oxide dispersions

SH Aboutalebi, MM Gudarzi… - Advanced Functional …, 2011‏ - Wiley Online Library
A novel process is developed to synthesize graphene oxide sheets with an ultralarge size
based on a solution‐phase method involving pre‐exfoliation of graphite flakes …

Highly Ordered Nanoassemblies of Janus Spherocylindrical Nanoparticles Adhering to Lipid Vesicles

A Sharma, Y Zhu, EJ Spangler, TB Hoang, M Laradji - ACS nano, 2024‏ - ACS Publications
In recent years, there has been a heightened interest in the self-assembly of nanoparticles
(NPs) that is mediated by their adsorption onto lipid membranes. The interplay between the …

[ספר][B] Liquid crystals: fundamentals

S Singh - 2002‏ - books.google.com
Liquid crystals are partially ordered systems without a rigid, long-range structure. The study
of these materials covers a wide area: chemical structure, physical properties and technical …

Phase transitions in liquid crystals

S Singh - Physics Reports, 2000‏ - Elsevier
Mesogenic materials exhibit a multitude of transitions involving new phases. Studies of
these phases are of importance in a wide range of scientific fields and as such have …

Water in porous carbons

JK Brennan, TJ Bandosz, KT Thomson… - Colloids and surfaces A …, 2001‏ - Elsevier
We present an overview of progress in understanding the behavior of water in porous
carbons at the molecular level. We survey experimental investigations, semi-empirical …

Phase behavior of disklike hard-core mesogens

JAC Veerman, D Frenkel - Physical Review A, 1992‏ - APS
We report a computer-simulation study of a system of ''hard cut spheres,''oblate particles that
are obtained by slicing off the top and bottom caps of a sphere at a distance L/2 from the …