Molecular dynamics simulations of the structure and dynamics of confined polymer melts (original) (raw)

Molecular Dynamics Studies of Stress−Strain Behavior of Silica Glass under a Tensile Load

Gianluca Malavasi

Chemistry of Materials, 2008

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Effect of Domain Size, Boundary, and Loading Conditions on Mechanical Properties of Amorphous Silica: A Reactive Molecular Dynamics Study

Truong Minh Vo

Nanomaterials, 2019

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Molecular dynamics simulation of amorphous silica under uniaxial tension: From bulk to nanowire

Michael Papka

Journal of Non-Crystalline Solids, 2012

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Strain softening and hardening of amorphous polymers: Atomistic simulation of bulk mechanics and local dynamics

N. Balabaev, Mikhail Mazo

Europhysics Letters (EPL), 2005

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Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations

Yunfeng Liang

Physical Review B, 2007

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Effects of surface crack on the mechanical properties of Silica: A molecular dynamics simulation study

Raja Ganesh

Engineering Fracture Mechanics, 2019

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Molecular dynamics simulations of SiO 2 melt and glass; ionic and covalent models

Antonio Lasaga

American Mineralogist, 1988

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Molecular dynamics studies of brittle failure in silica: effect of thermal vibrations

Romulo Ochoa

Journal of Non-crystalline Solids, 1991

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Microscopic scale simulations of soda-lime-silica using molecular dynamics

János Török

2013

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Computer simulations of true stress development and viscoelastic behavior in amorphous polymeric materials

Witold Brostow

Computational materials science, 2006

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Study of Structure Transition and Crystallization of Amorphous Silica under Compression

Pham Kien

VNU Journal of Science: Mathematics - Physics, 2020

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Molecular dynamics studies of brittle failure in silica: bond fracture

Romulo Ochoa

Journal of Non-crystalline Solids, 1991

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Impact of melt-deformation on molecular structure and mechanical behavior of glassy polymers

Shi-qing Wang

Bulletin of the American Physical Society, 2017

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New Insight in Understanding the~mechanical responses of polymer glasses using molecular dynamic simulation

Shi-qing Wang

Bulletin of the American Physical Society, 2017

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Silica molecular dynamic force fields—A practical assessment

James Stolken, George Gilmer

Journal of Non-Crystalline Solids, 2011

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Molecular Dynamics Simulation of the Structure and Hydroxylation of Silica Glass Surfaces

Kimmo Kaski

Journal of the American Ceramic Society, 2005

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Molecular dynamics simulations of glassy polymers

Alexey Lyulin

Soft Matter, 2010

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Predicting the mechanical behavior of amorphous polymeric materials under strain through multi-scale simulation

Mohsen Mirkhalaf

Applied Surface Science, 2014

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Molecular dynamics simulations of sodium silicate glasses: Optimization and limits of the computational procedure

Alfonso Pedone, Marina Cocchi, Maria Cristina Menziani, Gianluca Malavasi

Computational Materials Science, 2010

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A New Solid-State Constitutive Model for Melt-state Processed Amorphous Polymer Products

C. Paul Buckley

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Molecular-dynamics simulations of the thermal glass transition in polymer melts: α-relaxation behavior

Wolfgang Paul

Physical Review E, 1998

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Thermodynamic properties and atomistic structure of the dry amorphous silica surface from a reactive force field model

Dr. Raffaela Cabriolu

Physical Review B, 2010

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Molecular dynamics study of defect in amorphous silica; generation and migration

J. Manuel Perlado

Journal of Physics: Conference Series, 2008

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Toward the constitutive modeling of epoxy matrix: Temperature-accelerated quasi-static molecular simulations consistent with the experimental test

Seunghwa Yang

Composites Part B-engineering, 2018

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Investigating the influence of different thermodynamic paths on the structural relaxation in a glass-forming polymer melt

Wolfgang Paul

Journal of Physics: Condensed Matter, 1999

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Molecular-dynamics simulation of amorphous polymers in the isotropic state and under uniaxial deformation

Alexey Lyulin

2004

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Nature of polymerization and properties of silicate melts and glasses at high pressure

Yingwei Fei

Geochimica et Cosmochimica Acta, 2004

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Plasticity-Induced Structural Anisotropy of Silica Glass

Stephane Roux

Physical Review Letters, 2009

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An internal state variable material model for predicting the time, thermomechanical, and stress state dependence of amorphous glassy polymers under large deformation

Mark Horstemeyer

2012

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Elastic and structural properties of low silica calcium aluminosilicate glasses from molecular dynamics simulations

Hicham JABRAOUI

Journal of Non-Crystalline Solids, 2018

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Investigation by molecular dynamics simulation of the glass transition temperature and elastic properties of amorphous polymers PMMA, PMAAM and PMMA co PMAAM copolymers

S. Hiadsi

Polymer Bulletin, 2016

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Simulation of the plastic behavior of amorphous glassy bis-phenol-A-polycarbonate

claudio geloni

Chemical Physics, 2004

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