Overview of polymer nanocomposites: Computer simulation understanding of physical properties

J Zhao, L Wu, C Zhan, Q Shao, Z Guo, L Zhang - Polymer, 2017 - Elsevier
Computer simulations are an important implementation to experimental methods working on
polymer nanocomposites (PNCs), which have advanced properties because of their unique …

Molecular dynamics simulations of glassy polymers

JL Barrat, J Baschnagel, A Lyulin - Soft Matter, 2010 - pubs.rsc.org
We review recent results from computer simulation studies of polymer glasses, from the
chain dynamics around the glass transition temperature Tg to the mechanical behaviour …

Disentanglement effects on welding behaviour of polymer melts during the fused-filament-fabrication method for additive manufacturing

C McIlroy, PD Olmsted - Polymer, 2017 - Elsevier
Although 3D printing has the potential to transform manufacturing processes, the strength of
printed parts often does not rival that of traditionally-manufactured parts. The fused-filament …

[책][B] The equilibrium theory of inhomogeneous polymers

G Fredrickson - 2006 - books.google.com
The Equilibrium Theory of Inhomogeneous Polymers provides an introduction to the field-
theoretic methods and computer simulation techniques that are used in the design of …

Finite-element analysis of contact between elastic self-affine surfaces

S Hyun, L Pei, JF Molinari, MO Robbins - Physical Review E—Statistical …, 2004 - APS
Finite-element methods are used to study nonadhesive, frictionless contact between elastic
solids with self-affine surfaces. We find that the total contact area rises linearly with the load …

Load-bearing entanglements in polymer glasses

C Bukowski, T Zhang, RA Riggleman, AJ Crosby - Science Advances, 2021 - science.org
Through a combined approach of experiment and simulation, this study quantifies the role of
entanglements in determining the mechanical properties of glassy polymer blends. Uniaxial …

Progressive damage and rupture in polymers

B Talamini, Y Mao, L Anand - Journal of the Mechanics and Physics of …, 2018 - Elsevier
Progressive damage, which eventually leads to failure, is ubiquitous in biological and
synthetic polymers. The simplest case to consider is that of elastomeric materials which can …

Hamiltonian adaptive resolution simulation for molecular liquids

R Potestio, S Fritsch, P Espanol, R Delgado-Buscalioni… - Physical review …, 2013 - APS
Adaptive resolution schemes allow the simulation of a molecular fluid treating
simultaneously different subregions of the system at different levels of resolution. In this work …

Growth, microstructure, and failure of crazes in glassy polymers

J Rottler, MO Robbins - Physical Review E, 2003 - APS
We report on an extensive study of craze formation in glassy polymers. Molecular dynamics
simulations of a coarse-grained bead-spring model were employed to investigate the …

Multiscale simulation of soft matter systems

C Peter, K Kremer - Faraday discussions, 2010 - pubs.rsc.org
This paper gives a short introduction to multiscale simulation approaches in soft matter
science. This paper is based on and extended from a previous review. 1 (1. C. Peter and K …