Journal ArticleDOI
Multiscale modeling and simulation of polymer nanocomposites
Reads0
Chats0
TLDR
In this article, a review of the recent advances in the fundamental understanding of polymer nanocomposites reinforced by nanofillers is presented, including the thermodynamics and kinetics of formation, molecular structure and dynamics, morphology, processing behaviors, and mechanical properties.About:
This article is published in Progress in Polymer Science.The article was published on 2008-02-01. It has received 598 citations till now. The article focuses on the topics: Multiscale modeling & Polymer nanocomposite.read more
Citations
More filters
Multiscale Modeling of Heterogeneous Material Systems
TL;DR: In this paper, the authors developed multiscale modeling approaches and associated damage criteria for the estimation of damage evolution which is essential to damage detection, and addressed important issues regarding different length and time scales, statistical material properties and mechanical behavior.
Book ChapterDOI
Nanopolymeric systems to improve brain cancer treatment outcomes
Luiza Steffens,Mabilly Cox Holanda de Barros Dias,Pablo Ricardo Arantes,Jeferson Gustavo Henn,Michael J.D. Nugent,Dinara Jaqueline Moura +5 more
TL;DR: This chapter will focus on nanopolymeric systems, its various types, their efficacy and impact on brain cancer therapy, more specifically on GB treatment, how they can bring enhancements in the efficiency of traditional chemotherapy drugs and how to study polymeric interactions with drugs with multiscale computational methods.
Dissertation
Ab initio modelling of interfaces in nanocomposites for high voltage insulation
TL;DR: In this paper, the properties of dielectric nanocomposite materials have been experimentally proven to have properties that are beneficial in applications for efficient energy transport, however, today there are still no empirical studies on these materials.
Book ChapterDOI
Physical Properties of Fibres and Matrix
TL;DR: In this article, the basic concepts related to the physical properties of the fibres and matrix at the fibre length scale and how these properties connect to the bulk properties of a DFRC are discussed.
References
More filters
Journal ArticleDOI
Equation of state calculations by fast computing machines
TL;DR: In this article, a modified Monte Carlo integration over configuration space is used to investigate the properties of a two-dimensional rigid-sphere system with a set of interacting individual molecules, and the results are compared to free volume equations of state and a four-term virial coefficient expansion.
Book
Computer Simulation of Liquids
Michael P. Allen,D. J. Tildesley +1 more
TL;DR: In this paper, the gear predictor -corrector is used to calculate forces and torques in a non-equilibrium molecular dynamics simulation using Monte Carlo methods. But it is not suitable for the gear prediction problem.
Journal ArticleDOI
Fuzzy Nanoassemblies: Toward Layered Polymeric Multicomposites
TL;DR: In this article, a general approach for multilayers by consecutive adsorption of polyanions and polycations has been proposed and has been extended to other materials such as proteins or colloids.
Book
Understanding Molecular Simulation: From Algorithms to Applications
Daan Frenkel,Berend Smit +1 more
TL;DR: In this paper, the physics behind molecular simulation for materials science is explained, and the implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.
Journal ArticleDOI
Lattice boltzmann method for fluid flows
Shiyi Chen,Gary D. Doolen +1 more
TL;DR: An overview of the lattice Boltzmann method, a parallel and efficient algorithm for simulating single-phase and multiphase fluid flows and for incorporating additional physical complexities, is presented.
Related Papers (5)
Polymer/layered silicate nanocomposites: a review from preparation to processing
Average stress in matrix and average elastic energy of materials with misfitting inclusions
Trevor A. Mori,K Tanaka +1 more