Search Results - "Karimi‐Varzaneh, Hossein Ali"
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How Good Are Coarse-Grained Polymer Models? A Comparison for Atactic Polystyrene
Published in Chemphyschem (22-10-2012)“…This review provides an overview of the various coarse‐grained models that have been developed in the past few years for amorphous polystyrene. Different…”
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Rigidity of plasticizers and their miscibility in silica‐filled polybutadiene rubber by broadband dielectric spectroscopy
Published in Journal of applied polymer science (05-06-2022)“…An efficient use of plasticizers in rubber compounds requires an understanding of their miscibility behavior. Besides the chemical properties of both rubber…”
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3
A CFD‐DEM approach to study the breakup of fractal agglomerates in an internal mixer
Published in Canadian journal of chemical engineering (01-09-2020)“…In this work we present a method to investigate the breakup of filler agglomerates in an internal mixer during a compounding operation. The method employs…”
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4
Impact of Plasticizer Addition on Molecular Properties of Polybutadiene Rubber and its Manifestations to Glass Transition Temperature
Published in Macromolecular theory and simulations (01-07-2019)“…Effect of blending low and high Tg polymer on the structural, spatial, and temporal properties of the polybutadiene rubber are investigated using molecular…”
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5
IBIsCO: A molecular dynamics simulation package for coarse-grained simulation
Published in Journal of computational chemistry (01-05-2011)“…IBIsCO is a parallel molecular dynamics simulation package developed specially for coarse‐grained simulations with numerical potentials derived by the…”
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CFD-DEM characterization and population balance modelling of a dispersive mixing process
Published in Chemical engineering science (12-10-2022)“…•A numerical method to study dispersive mixing in an internal mixer is presented.•CFD simulations are used to compute the flow field in an internal mixer.•A…”
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7
Computational Study of Cross-Link and Entanglement Contributions to the Elastic Properties of Model PDMS Networks
Published in Macromolecules (25-08-2020)“…We built randomly cross-linked model poly(dimethylsiloxane) (PDMS) networks and used molecular dynamics methods to obtain stress–strain curves. The…”
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8
Cavity formation in silica‐filled rubber compounds observed during deformation by ultra small‐angle x‐ray scattering
Published in Journal of applied polymer science (30-10-2024)“…When silica‐filled rubber compounds are deformed, structural modifications in the material's bulk lead to irreversible damage, the most significant of which is…”
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9
Simulation of Elastomers by Slip-Spring Dissipative Particle Dynamics
Published in Macromolecules (08-06-2021)“…We study elastomeric networks using dissipative-particle-dynamics simulations. This soft-core method gives access to mesoscopic time and length scales and is…”
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10
Transferability of coarse-grained force fields: the polymer case
Published in The Journal of chemical physics (14-02-2008)“…A key question for all coarse-graining methodologies is the degree of transferability of the resulting force field between various systems and thermodynamic…”
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11
A nano-mechanical instability as primary contribution to rolling resistance
Published in Scientific reports (12-09-2017)“…Rolling resistance ranks among the top ten automobile megatrends, because it is directly linked to fuel efficiency and emissions reduction. The mechanisms…”
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12
Author Correction: A nano-mechanical instability as primary contribution to rolling resistance
Published in Scientific reports (28-08-2019)“…An amendment to this paper has been published and can be accessed via a link at the top of the paper…”
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13
Large-scale state-dependent membrane remodeling by a transporter protein
Published in eLife (19-12-2019)“…That channels and transporters can influence the membrane morphology is increasingly recognized. Less appreciated is that the extent and free-energy cost of…”
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14
Phase Morphology of NR/SBR Blends: Effect of Curing Temperature and Curing Time
Published in Polymers (08-05-2018)“…The morphology of natural rubber/styrene⁻butadiene rubber blends (NR/SBR) was characterized by atomic force microscopy (AFM), with regard to curing temperature…”
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15
Cavity Formation in Silica-Filled Rubber Compounds Observed During Deformation by Ultra Small-Angle X-Ray Scattering
Published 11-07-2024“…When silica-filled rubber compounds are deformed, structural modifications in the material's bulk lead to irreversible damage, the most significant of which is…”
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16
Validation of Force Fields of Rubber through Glass-Transition Temperature Calculation by Microsecond Atomic-Scale Molecular Dynamics Simulation
Published in The journal of physical chemistry. B (25-02-2016)“…Microsecond atomic-scale molecular dynamics simulation has been employed to calculate the glass-transition temperature (T g) of cis- and…”
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17
Computational study of the cross-link and the entanglement contributions to the elastic properties of model PDMS networks
Published 29-06-2020“…We built randomly cross-linked model PDMS networks and used Molecular Dynamics Methods to obtain stress-strain curves. Mooney-Rivlin (MR) analysis was used to…”
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18
Framework for a High-Throughput Screening Method to Assess Polymer/Plasticizer Miscibility: The Case of Hydrocarbons in Polyolefins
Published in Macromolecules (28-05-2024)“…Polymer composite materials require softening to reduce their glass transition temperature and improve processability. To this end, plasticizers (PLs), which…”
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19
Piezo-Electric Shear Rheometry: Further developments in experimental implementation and data extraction
Published 15-09-2022“…Journal of Rheology 66, 983 (2022) The Piezo-electric Shear Gauge (PSG) [Christensen & Olsen, Rev. Sci. Instrum. 66, 5019, 1995] is a rheometric technique…”
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20
Kremer-Grest models for commodity polymer melts: Linking theory, experiment and simulation at the Kuhn scale
Published 11-12-2019“…Macromolecules 2020 The Kremer-Grest (KG) polymer model is a standard model for studying generic polymer properties in Molecular Dynamics simulations. It owes…”
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