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Journal Articles

Elucidating the role of network topology dynamics on the coil-stretch transition hysteresis in extensional flow of entangled polymer melts

Mahdi Boudaghi, M. Hadi Nafar Seddashti, Brian J. Edwards, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 66, 551–569 (2022)
https://doi.org/10.1122/8.0000422
Published: May 2022
View article titled, Elucidating the role of network topology dynamics on the coil-stretch transition hysteresis in extensional flow of entangled polymer melts
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Journal Articles

Atomistic simulation of shear flow of linear alkane and polyethylene liquids: A 50-year retrospective

Featured
Brian J. Edwards, M. Hadi Nafar Sefiddashti, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 66, 415–489 (2022)
https://doi.org/10.1122/8.0000365
Published: March 2022
View article titled, Atomistic simulation of shear flow of linear alkane and polyethylene liquids: A 50-year retrospective
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Journal Articles

A method for calculating the nonequilibrium entropy of a flowing polymer melt via atomistic simulation

Brian J. Edwards, M. Hadi Nafar Sefiddashti, Bamin Khomami
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 111101 (2021)
https://doi.org/10.1063/5.0056547
Published: September 2021
View article titled, A method for calculating the nonequilibrium entropy of a flowing polymer melt via atomistic simulation
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Includes: Supplementary data
Journal Articles

A theory for the coexistence of coiled and stretched configurational phases in the extensional flow of entangled polymer melts

Mohammad Hadi Nafar Sefiddashti, Brian J. Edwards, Bamin Khomami, Eric S. G. Shaqfeh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 204907 (2021)
https://doi.org/10.1063/5.0047467
Published: May 2021
View article titled, A theory for the coexistence of coiled and stretched configurational phases in the extensional flow of entangled polymer melts
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Journal Articles

Communication: A coil-stretch transition in planar elongational flow of an entangled polymeric melt

Editor’s Pick
Mohammad H. Nafar Sefiddashti, Brian J. Edwards, Bamin Khomami
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 141103 (2018)
https://doi.org/10.1063/1.5026792
Published: April 2018
View article titled, Communication: A coil-stretch transition in planar elongational flow of an entangled polymeric melt
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Includes: Supplementary data
Journal Articles

Letter to the Editor: BDpack, an open source parallel Brownian dynamics simulation package

Amir Saadat, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 61, 147–149 (2017)
https://doi.org/10.1122/1.4971994
Published: January 2017
View article titled, Letter to the Editor: BDpack, an open source parallel Brownian dynamics simulation package
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Journal Articles

A new bead-spring model for simulation of semi-flexible macromolecules

Amir Saadat, Bamin Khomami
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 204902 (2016)
https://doi.org/10.1063/1.4968020
Published: November 2016
View article titled, A new bead-spring model for simulation of semi-flexible macromolecules
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Journal Articles

Elucidating the flow-microstructure coupling in the entangled polymer melts. Part I: Single chain dynamics in shear flow

Mouge Mohagheghi, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 60, 849–859 (2016)
https://doi.org/10.1122/1.4961481
Published: September 2016
View article titled, Elucidating the flow-microstructure coupling in the entangled polymer melts. Part I: Single chain dynamics in shear flow
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Journal Articles

Elucidating the flow-microstructure coupling in entangled polymer melts. Part II: Molecular mechanism of shear banding

Mouge Mohagheghi, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 60, 861–872 (2016)
https://doi.org/10.1122/1.4961525
Published: September 2016
View article titled, Elucidating the flow-microstructure coupling in entangled polymer melts. Part II: Molecular mechanism of shear banding
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Journal Articles

Flexible polyelectrolyte chain in a strong electrolyte solution: Insight into equilibrium properties and force-extension behavior from mesoscale simulation

Mahdy Malekzadeh Moghani, Bamin Khomami
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 024903 (2016)
https://doi.org/10.1063/1.4939720
Published: January 2016
View article titled, Flexible polyelectrolyte chain in a strong electrolyte solution: Insight into equilibrium properties and force-extension behavior from mesoscale simulation
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Journal Articles

Direct numerical simulation of Taylor-Couette flow subjected to a radial temperature gradient

Hao Teng, Nansheng Liu, Xiyun Lu, Bamin Khomami
Journal: Physics of Fluids
Physics of Fluids 27, 125101 (2015)
https://doi.org/10.1063/1.4935700
Published: December 2015
View article titled, Direct numerical simulation of Taylor-Couette flow subjected to a radial temperature gradient
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Journal Articles

Molecular based prediction of the extensional rheology of high molecular weight polystyrene dilute solutions: A hi-fidelity Brownian dynamics approach

Amir Saadat, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 59, 1507–1525 (2015)
https://doi.org/10.1122/1.4933320
Published: November 2015
View article titled, Molecular based prediction of the extensional rheology of high molecular weight polystyrene dilute solutions: A hi-fidelity Brownian dynamics approach
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Journal Articles

Computationally efficient algorithms for incorporation of hydrodynamic and excluded volume interactions in Brownian dynamics simulations: A comparative study of the Krylov subspace and Chebyshev based techniques

Amir Saadat, Bamin Khomami
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 184903 (2014)
https://doi.org/10.1063/1.4873999
Published: May 2014
View article titled, Computationally efficient algorithms for incorporation of hydrodynamic and excluded volume interactions in Brownian dynamics simulations: A comparative study of the Krylov subspace and Chebyshev based techniques
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Journal Articles

Dynamic simulations of individual macromolecules in oscillatory shear flow

Dennis G. Thomas, Ryan J. DePuit, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 53, 275–291 (2009)
https://doi.org/10.1122/1.3072013
Published: March 2009
View article titled, Dynamic simulations of individual macromolecules in oscillatory shear flow
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Includes: Supplementary data
Journal Articles

Dynamics of Branched Polymer Melts in Complex Kinematics Flows: A Computational/Experimental Study

Arash Abedijaberi, Johannes Soulages, Hans Christian Öttinger, Martin Kröger, Bamin Khomami
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1027, 237–239 (2008)
https://doi.org/10.1063/1.2964647
Published: July 2008
View article titled, Dynamics of Branched Polymer Melts in Complex Kinematics Flows: A Computational/Experimental Study
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Journal Articles

Reversible and Irreversible Flow‐Induced Phase Transitions in Micellar Solutions

Mukund Vasudevan, Eric Buse, Hare Krishna, Ramki Kalyanaraman, Amy Shen, Bamin Khomami, Radhakrishna Sureshkumar
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1027, 976–978 (2008)
https://doi.org/10.1063/1.2964914
Published: July 2008
View article titled, Reversible and Irreversible Flow‐Induced Phase Transitions in Micellar Solutions
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Journal Articles

Self-similar shear thickening behavior in CTAB/ NaSal surfactant solutions

Mukund Vasudevan, Amy Shen, Bamin Khomami, Radhakrishna Sureshkumar
Journal: Journal of Rheology
J. Rheol. 52, 527–550 (2008)
https://doi.org/10.1122/1.2833594
Published: March 2008
View article titled, Self-similar shear thickening behavior in CTAB/ NaSal surfactant solutions
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Journal Articles

The influence of polymer concentration and chain architecture on free surface displacement flows of polymeric fluids

Gandharv Bhatara, Eric S. G. Shaqfeh, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 49, 929–962 (2005)
https://doi.org/10.1122/1.2000969
Published: September 2005
View article titled, The influence of polymer concentration and chain architecture on free surface displacement flows of polymeric fluids
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Journal Articles

Effect of confinement on dynamics and rheology of dilute DNA solutions. I. Entropic spring force under confinement and a numerical algorithm

Nathanael J. Woo, Eric S. G. Shaqfeh, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 48, 281–298 (2004)
https://doi.org/10.1122/1.1648642
Published: March 2004
View article titled, Effect of confinement on dynamics and rheology of dilute DNA solutions. I. Entropic spring force under confinement and a numerical algorithm
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Journal Articles

The effect of confinement on dynamics and rheology of dilute deoxyribose nucleic acid solutions. II. Effective rheology and single chain dynamics

Nathanael J. Woo, Eric S. G. Shaqfeh, Bamin Khomami
Journal: Journal of Rheology
J. Rheol. 48, 299–318 (2004)
https://doi.org/10.1122/1.1648643
Published: March 2004
View article titled, The effect of confinement on dynamics and rheology of dilute deoxyribose nucleic acid solutions. II. Effective rheology and single chain dynamics
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