Coarse-Grained Molecular Dynamics Simulations of Oxidative Aging and Stabilization in Polymer Melts with Primary Antioxidants: Effects of Antioxidant Concentration and Molecular Architecture
Fuente:
arXiv
Saved in:
| Main Authors: | Ishida, Takato, Richaud, Emmanuel |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Coarse-Grained Molecular Dynamics Simulations for Oxidative Aging of Polymers under Various O2 Concentration
by: Ishida, Takato, et al.
Published: (2025)
by: Ishida, Takato, et al.
Published: (2025)
Coarse‐Grained Molecular Dynamics Simulations of Oxidative Aging and Stabilization in Polymer Melts With Primary Antioxidants: Effects of Antioxidant Concentration and Molecular Architecture
by: Takato Ishida, et al.
Published: (2026)
by: Takato Ishida, et al.
Published: (2026)
A Review on Molecular Simulations for the Rupture of Polymer Networks
by: Masubuchi, Yuichi, et al.
Published: (2025)
by: Masubuchi, Yuichi, et al.
Published: (2025)
Dynamics of Polyalkylfluorene Conjugated Polymers: Insights from Neutron Spectroscopy and Molecular Dynamics Simulations
by: Zbiri, Mohamed, et al.
Published: (2024)
by: Zbiri, Mohamed, et al.
Published: (2024)
From Connectivity to Rupture: A Coarse-Grained Stochastic Network Dynamics Approach to Polymer Network Mechanics
by: Mohanty, Shaswat, et al.
Published: (2026)
by: Mohanty, Shaswat, et al.
Published: (2026)
Competitive Adsorption in Polymer Nanocomposites: The Molecular Weight and End-Group Effect Revealed by SANS and MD Simulations
by: Kong, Tae Yeon, et al.
Published: (2025)
by: Kong, Tae Yeon, et al.
Published: (2025)
Molecular Dynamics Simulations of Anisotropic Particles Accelerated by Neural-Net Predicted Interactions
by: Argun, B. Rusen, et al.
Published: (2024)
by: Argun, B. Rusen, et al.
Published: (2024)
Effects of Stirring Time on Formation of Microplastics Fragmented from Photo-aged Polypropylene
by: Haremaki, Kazuya, et al.
Published: (2025)
by: Haremaki, Kazuya, et al.
Published: (2025)
Relaxation Dynamics of Entangled Linear Polymer Melts via Molecular Dynamics Simulations
by: Behbahani, Alireza F., et al.
Published: (2024)
by: Behbahani, Alireza F., et al.
Published: (2024)
ToPolyAgent: AI Agents for Coarse-Grained Topological Polymer Simulations
by: Ding, Lijie, et al.
Published: (2025)
by: Ding, Lijie, et al.
Published: (2025)
Scaling of Structure and Dynamics in Molecular Liquids: Insights from Pressure Experiments and Molecular Dynamics
by: Lørup, Erik
Published: (2025)
by: Lørup, Erik
Published: (2025)
Active Sparse Bayesian Committee Machine Potential for Isothermal-Isobaric Molecular Dynamics Simulations
by: Willow, Soohaeng Yoo, et al.
Published: (2024)
by: Willow, Soohaeng Yoo, et al.
Published: (2024)
Rouse Mode Analysis of Chain Relaxation in Reversibly Crosslinked Polymer Melts
by: Karmakar, Rahul, et al.
Published: (2025)
by: Karmakar, Rahul, et al.
Published: (2025)
Anomalous Molecular Weight Dependence Reveals the Origin of Mechanical Enhancement in Polymer Nanocomposite
by: Kong, Tae Yeon, et al.
Published: (2025)
by: Kong, Tae Yeon, et al.
Published: (2025)
Hydroxide Transport and Mechanical Properties of Polyolefin-Based Anion Exchange Membranes from Atomistic Molecular Dynamics Simulations
by: Otmi, Mohammed Al, et al.
Published: (2024)
by: Otmi, Mohammed Al, et al.
Published: (2024)
Effects of Epoxy Composition on the Thermal and Network Properties of Crosslinked Thermosets: A Molecular-Dynamics Study
by: Pola, Venkata Rama Manoj, et al.
Published: (2025)
by: Pola, Venkata Rama Manoj, et al.
Published: (2025)
Devitrification and Melting Dynamics in Vapor Deposited Water Ice
by: Leoni, Fabio, et al.
Published: (2025)
by: Leoni, Fabio, et al.
Published: (2025)
Molecular Simulations of Quantized Lamellar Thickening in Polyethylenes with Regularly Spaced Brominated Groups
by: Gabana, Kutlwano, et al.
Published: (2024)
by: Gabana, Kutlwano, et al.
Published: (2024)
The Influence of Crosslinking and Deformation on Polymer Crystallization and Melting: A Molecular Dynamics Study
by: Bhardwaj, Atmika, et al.
Published: (2026)
by: Bhardwaj, Atmika, et al.
Published: (2026)
Molecular Dynamics Simulations of Membrane Selectivity of Star Peptides Across Different Bacterial and Mammalian Bilipids
by: Jayawardena, Amal, et al.
Published: (2025)
by: Jayawardena, Amal, et al.
Published: (2025)
Interaction Controlled Molecular Probing of Length Scale Dependent Glassy Dynamics in Polymer Melts
by: Kim, Suyeon, et al.
Published: (2026)
by: Kim, Suyeon, et al.
Published: (2026)
Phantom-Chain Simulations for the Effect of Node Functionality on the Fracture of Star-Polymer Networks
by: Masubuchi, Yuichi, et al.
Published: (2023)
by: Masubuchi, Yuichi, et al.
Published: (2023)
Design Principles for Fluid Molecular Ferroelectrics
by: Gibb, Calum J, et al.
Published: (2026)
by: Gibb, Calum J, et al.
Published: (2026)
Unveiling the Face-Dependent Ice Growth Kinetics: Insights from Molecular Dynamics on the Basal and Prism Surfaces
by: Shi, Jihong, et al.
Published: (2024)
by: Shi, Jihong, et al.
Published: (2024)
Molecular Mechanisms of Polymer Crosslinking via Thermal Activation
by: Akhtar, Javed, et al.
Published: (2025)
by: Akhtar, Javed, et al.
Published: (2025)
Molecular Dynamics simulations of Al-Ti metallic alloy melts using a transferable machine-learning potential
by: Kato, Yuna, et al.
Published: (2026)
by: Kato, Yuna, et al.
Published: (2026)
A Piezoelectric Molecular Cocrystal with Unconventional $π$-Stacking
by: Dunning, Samuel G., et al.
Published: (2025)
by: Dunning, Samuel G., et al.
Published: (2025)
Stress Relaxation in Monodisperse Entangled Polymer Melts: Correlation Between Viscoelastic Response and Single-Chain Relaxation via Molecular Dynamics Simulations
by: Behbahani, Alireza F.
Published: (2026)
by: Behbahani, Alireza F.
Published: (2026)
Structural Relaxation and Anisotropic Elasticity of Ordered Block Copolymer Melts
by: Schoonover, Krista G., et al.
Published: (2025)
by: Schoonover, Krista G., et al.
Published: (2025)
Impact of Resin Molecular Weight on Drying Kinetics and Sag of Coatings
by: Issa, Marola W., et al.
Published: (2024)
by: Issa, Marola W., et al.
Published: (2024)
Molecular Dynamics Investigation of Static and Dynamic Interfacial Properties in Ice-Polymer Premelting Layers
by: Sato, Takumi, et al.
Published: (2025)
by: Sato, Takumi, et al.
Published: (2025)
Molecular simulation of methane hydrate growth confined into a silica pore
by: Fernández-Fernández, Ángel M., et al.
Published: (2026)
by: Fernández-Fernández, Ángel M., et al.
Published: (2026)
Ferroelectric Nematic and Smectic Liquid Crystals with Sub-Molecular Spatial Correlations
by: Guragain, Parikshit, et al.
Published: (2025)
by: Guragain, Parikshit, et al.
Published: (2025)
Universality of Dynamic and Thermodynamic Behavior of Polymers near their Glass Transition
by: Ginzburg, Valeriy V., et al.
Published: (2024)
by: Ginzburg, Valeriy V., et al.
Published: (2024)
Impact of Lipid Structural Variations on Bilayer Properties: A Coarse-Grained Molecular Dynamics Study
by: Phuntsho, Sonam
Published: (2024)
by: Phuntsho, Sonam
Published: (2024)
Molecular dynamics simulations reveal internal tension in native state collagen fibrils
by: Steiakakis, Konstantinos, et al.
Published: (2025)
by: Steiakakis, Konstantinos, et al.
Published: (2025)
Influence of Stretching Boundary Conditions on Fracture in Phantom Star Polymer Networks: From Volume to Cross-sectional Area Conservation
by: Masubuchi, Yuichi, et al.
Published: (2025)
by: Masubuchi, Yuichi, et al.
Published: (2025)
Coarse-grained graph architectures for all-atom force predictions
by: Kang, Sungwoo, et al.
Published: (2025)
by: Kang, Sungwoo, et al.
Published: (2025)
Machine Learning-integrated Multiscale Simulation Framework: Bridging Scales in Associative Polymer-Colloid Suspensions
by: Abdolahi, Jalal, et al.
Published: (2026)
by: Abdolahi, Jalal, et al.
Published: (2026)
Accelerating Structure Prediction of Molecular Crystals using Actively Trained Moment Tensor Potential
by: Rybin, Nikita, et al.
Published: (2024)
by: Rybin, Nikita, et al.
Published: (2024)
Similar Items
-
Coarse-Grained Molecular Dynamics Simulations for Oxidative Aging of Polymers under Various O2 Concentration
by: Ishida, Takato, et al.
Published: (2025) -
Coarse‐Grained Molecular Dynamics Simulations of Oxidative Aging and Stabilization in Polymer Melts With Primary Antioxidants: Effects of Antioxidant Concentration and Molecular Architecture
by: Takato Ishida, et al.
Published: (2026) -
A Review on Molecular Simulations for the Rupture of Polymer Networks
by: Masubuchi, Yuichi, et al.
Published: (2025) -
Dynamics of Polyalkylfluorene Conjugated Polymers: Insights from Neutron Spectroscopy and Molecular Dynamics Simulations
by: Zbiri, Mohamed, et al.
Published: (2024) -
From Connectivity to Rupture: A Coarse-Grained Stochastic Network Dynamics Approach to Polymer Network Mechanics
by: Mohanty, Shaswat, et al.
Published: (2026)