DEM/CFD-DEM modelling of non-spherical particulate systems: theoretical developments and applications

W Zhong, A Yu, X Liu, Z Tong, H Zhang - Powder technology, 2016 - Elsevier
Particles encountered in nature and engineering practice are normally not spherical but of
irregular shapes. Particle shape plays a key role in determining the behaviour of bulk solids …

Molecular dynamics simulations and applications in computational toxicology and nanotoxicology

C Selvaraj, S Sakkiah, W Tong, H Hong - Food and Chemical Toxicology, 2018 - Elsevier
Nanotoxicology studies toxicity of nanomaterials and has been widely applied in biomedical
researches to explore toxicity of various biological systems. Investigating biological systems …

Tracing the phase boundaries of hard spherocylinders

P Bolhuis, D Frenkel - The Journal of chemical physics, 1997 - pubs.aip.org
We have mapped out the complete phase diagram of hard spherocylinders as a function of
the shape anisotropy L/D. Special computational techniques were required to locate phase …

Phase transitions in lyotropic colloidal and polymer liquid crystals

GJ Vroege, HNW Lekkerkerker - Reports on Progress in Physics, 1992 - iopscience.iop.org
An overview is given of theory and experiments on liquid crystal phases which appear in
solutions of elongated colloidal particles or stiff polymers. The Onsager (1949) virial theory …

[BUKU][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 …

A study on the validity of the multi-sphere Discrete Element Method

H Kruggel-Emden, S Rickelt, S Wirtz, V Scherer - Powder Technology, 2008 - Elsevier
Granular materials in industrial applications or nature usually consist of a wide variety of
differently formed particles. Very often the shape of the involved objects does not even …

An approach to simulate the motion of spherical and non-spherical fuel particles in combustion chambers

A Džiugys, B Peters - Granular matter, 2001 - Springer
The objective of this paper is to identify a numerical method to simulate motion of a packed
or fluidized bed of fuel particles in combustion chambers, such as a grate furnace and a …

Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details

A Donev, S Torquato, FH Stillinger - Journal of computational physics, 2005 - Elsevier
In this first part of a series of two papers, we present in considerable detail a collision-driven
molecular dynamics algorithm for a system of non-spherical particles, within a …

Hard convex body fluids

MP Allen, GT Evans, D Frenkel… - Advances in chemical …, 1993 - Wiley Online Library
The basis of our theoretical understanding of statistical mechanics of dilute gases dates
back to the nineteenth century. The atomistic description of crystalline solids originated in …

Monte Carlo investigations of a Gay—Berne liquid crystal

PJ Andrew - Journal of the Chemical Society, Faraday Transactions, 1993 - pubs.rsc.org
We report extensive Monte Carlo simulations of two systems with 512 and 1000 particles
interacting with a Gay–Berne potential with strength parameters (µ= 1, ν= 3) that enhance …