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
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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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