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Molecular simulation guided constitutive modeling of filled rubber: Bridging structural parameters to constitutive equations

https://doi.org/10.1016/j.polymer.2022.125090
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Effects of the type of crosslink on viscoelastic properties of natural rubber
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Deriving effective mesoscale potentials from atomistic simulations
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The theory of rubber elasticity
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Beziehungen zwischen elastischen Konstanten und Dehnungsdoppelbrechung hochelastischer Stoffe
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Rubber elasticity of polymer networks: Theories
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High and low molecular weight crossovers in the longest relaxation time dependence of linear cis-1,4 polyisoprene by dielectric relaxations
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An error-minimizing approach to inverse Langevin approximations
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Primitive path analysis of linear polymer embedded in post array
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A three-dimensional constitutive model for the large stretch behavior of rubber elastic materials
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Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems
inferredcites →https://doi.org/10.1016/j.cpc.2005.03.019openalex-snapshot
Entangled polymer systems
inferredcites →https://doi.org/10.1016/j.cpc.2008.06.011openalex-snapshot
Implementing peridynamics within a molecular dynamics code
inferredcites →https://doi.org/10.1016/j.ijengsci.2014.03.001openalex-snapshot
A visco-hyperelastic constitutive model for rubber-like materials: A rate-dependent relaxation time scheme
inferredcites →https://doi.org/10.1016/j.ijplas.2016.11.010openalex-snapshot
A physically based model of stress softening and hysteresis of filled rubber including rate- and temperature dependency
inferredcites →https://doi.org/10.1016/j.jcp.2011.05.021openalex-snapshot
Pseudo-random number generation for Brownian Dynamics and Dissipative Particle Dynamics simulations on GPU devices
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A nonaffine network model for elastomers undergoing finite deformations
inferredcites →https://doi.org/10.1016/j.jmps.2015.12.007openalex-snapshot
Molecular simulation guided constitutive modeling on finite strain viscoelasticity of elastomers
inferredcites →https://doi.org/10.1016/j.jmps.2016.05.030openalex-snapshot
Analytical network-averaging of the tube model:
inferredcites →https://doi.org/10.1016/j.jmps.2019.04.010openalex-snapshot
A physically based visco-hyperelastic constitutive model for soft materials
inferredcites →https://doi.org/10.1016/j.jnnfm.2012.01.001openalex-snapshot
Modelling of stress and strain amplification effects in filled polymer melts
inferredcites →https://doi.org/10.1016/j.nanoms.2021.07.003openalex-snapshot
A comparative study of 85 hyperelastic constitutive models for both unfilled rubber and highly filled rubber nanocomposite material
inferredcites →https://doi.org/10.1016/j.polymer.2009.03.001openalex-snapshot
New insights into the relationship between network structure and strain-induced crystallization in un-vulcanized and vulcanized natural rubber by synchrotron X-ray diffraction
inferredcites →https://doi.org/10.1016/j.polymer.2011.10.044openalex-snapshot
Primitive chain network study on uncrosslinked and crosslinked cis-polyisoprene polymers
inferredcites →https://doi.org/10.1016/j.polymer.2012.05.020openalex-snapshot
The effects of endlinking network and entanglement to stress–strain relation and strain-induced crystallization of un-vulcanized and vulcanized natural rubber
inferredcites →https://doi.org/10.1016/j.polymer.2012.09.055openalex-snapshot
A predictive multiscale computational framework for viscoelastic properties of linear polymers
inferredcites →https://doi.org/10.1016/j.polymer.2016.08.037openalex-snapshot
Multiscale modeling of a natural rubber: Bridging a coarse-grained molecular model to the rubber network theory
inferredcites →https://doi.org/10.1016/j.polymer.2019.122005openalex-snapshot
Novel reinforcement behavior in nanofilled natural rubber (NR) / butadiene-acrylonitrile rubber (NBR) blends: Filling-polymer network and supernanosphere
inferredcites →https://doi.org/10.1016/j.polymer.2021.124400openalex-snapshot
Effects of silica/carbon black hybrid nanoparticles on the dynamic modulus of uncrosslinked cis-1,4-polyisoprene rubber: Coarse-grained molecular dynamics
inferredcites →https://doi.org/10.1016/j.polymer.2021.124433openalex-snapshot
Structure and dynamics behavior during the glass transition of the polyisoprene in the presence of pressure: A molecular dynamics simulation
inferredcites →https://doi.org/10.1016/s0022-5096(99)00029-0openalex-snapshot
Reformulation of elasticity theory for discontinuities and long-range forces
inferredcites →https://doi.org/10.1021/ma0203849openalex-snapshot
Elasticity of Polymer Networks
inferredcites →https://doi.org/10.1021/ma400504kopenalex-snapshot
Entanglements and Networks to Strain-Induced Crystallization and Stress–Strain Relations in Natural Rubber and Synthetic Polyisoprene at Various Temperatures
inferredcites →https://doi.org/10.1038/pj.2012.112openalex-snapshot
Mechanical properties and cross-linking structure of cross-linked natural rubber
inferredcites →https://doi.org/10.1063/1.1290134openalex-snapshot
Dynamic mechanical response of polymer networks
inferredcites →https://doi.org/10.1063/1.1481859openalex-snapshot
Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations
inferredcites →https://doi.org/10.1080/00268970601075238openalex-snapshot
Expressions for forces and torques in molecular simulations using rigid bodies
inferredcites →https://doi.org/10.1080/08927022.2018.1538559openalex-snapshot
Multiscale analysis of large-strain deformation behaviour of random cross-linked elastomers
inferredcites →https://doi.org/10.1088/0953-8984/23/23/233101openalex-snapshot
Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology
inferredcites →https://doi.org/10.1088/0965-0393/17/7/073001openalex-snapshot
Phase-field models in materials science
inferredcites →https://doi.org/10.1088/1361-651x/abfeaeopenalex-snapshot
Coarse-grained molecular dynamics simulation of cis-1,4-polyisoprene with silica nanoparticles under extreme uniaxial tension
inferredcites →https://doi.org/10.1103/physreve.57.7192openalex-snapshot
Dynamics of viscoplastic deformation in amorphous solids
inferredcites →https://doi.org/10.1103/physreve.89.022604openalex-snapshot
Constitutive modeling of strain-induced crystallization in filled rubbers
inferredcites →https://doi.org/10.1126/science.1091215openalex-snapshot
Rheology and Microscopic Topology of Entangled Polymeric Liquids
inferredcites →https://doi.org/10.2320/matertrans.mj200769openalex-snapshot
Theory of Shear Banding in Metallic Glasses and Molecular Dynamics Calculations
inferredcites →https://doi.org/10.3390/ijms10115054openalex-snapshot
Combined Molecular Algorithms for the Generation, Equilibration and Topological Analysis of Entangled Polymers: Methodology and Performance
inferredcites →https://doi.org/10.3390/polym8060230openalex-snapshot
A Phase Field Technique for Modeling and Predicting Flow Induced Crystallization Morphology of Semi-Crystalline Polymers
inferredcites →https://doi.org/10.4208/cicp.301110.040811aopenalex-snapshot
Phase-Field Models for Multi-Component Fluid Flows
inferredcites →https://doi.org/10.5254/1.3538429openalex-snapshot
Structure and Properties of Reinforcing Fractal Filler Networks in Elastomers
inferredcites →https://doi.org/10.5254/1.3546701openalex-snapshot
Stress-Strain Data for Vulcanized Rubber under Various Types of Deformation
inferredcites →https://doi.org/10.5254/1.3548230openalex-snapshot
Strain-Induced Crystallization of Natural Rubber: Effect of Proteins and Phospholipids

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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inferred← citeshttps://doi.org/10.1002/pc.28117openalex-snapshot
Analysis of static and dynamic mechanical properties of carbon black/carbon nanotubes hybrid filled natural rubber nanocomposites using coarse‐grained molecular dynamics
inferred← citeshttps://doi.org/10.1002/pi.70204openalex-snapshot
Development and characterization of a polycaprolactone/chitosan hydrogel dressing loaded with Echinophora platyloba extract and amphotericin B for enhanced antifungal activity
inferred← citeshttps://doi.org/10.1007/s00894-026-06906-1openalex-snapshot
Multiscale analysis of sulfur-bridge topology and linear mechanical response in natural rubber
inferred← citeshttps://doi.org/10.1016/j.carbon.2026.121823openalex-snapshot
Radiation aging behavior of CNTs-filled silicone rubber composites: Microscopic mechanism and constitutive modeling
inferred← citeshttps://doi.org/10.1016/j.commatsci.2025.114167openalex-snapshot
A coarse-grained molecular dynamics study on the mechanical behavior of carbon black reinforced natural rubber composites
inferred← citeshttps://doi.org/10.1016/j.conbuildmat.2024.137406openalex-snapshot
Modification technologies and constitutive models of viscoelastic damping materials: Progress and future trends
inferred← citeshttps://doi.org/10.1016/j.conbuildmat.2025.143342openalex-snapshot
Strain rate effect and cushioning performance of nitrile butadiene rubber under high-speed impact
inferred← citeshttps://doi.org/10.1016/j.ijmecsci.2025.110807openalex-snapshot
Nonlinear mechanical behavior and dynamic analysis of small-module helical belts
inferred← citeshttps://doi.org/10.1016/j.jmrt.2026.05.206openalex-snapshot
A molecular-informed multiscale framework for constitutive modeling of rubber materials: From coarse-grained molecular dynamics to finite element implementation
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Applicability of Kroon network theory for biaxial mechanics in rubber through multiscale approach
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Multiscale modeling of nanofiber-filled cross-linked natural rubber composites guided by molecular dynamics simulations
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Significantly enhanced bonding strength in Al2O3/HfO2 using nanolaminate interfaces
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A Pseudo-Hyperelastic Model for Rubber-like Materials: Modeling and Validation
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