Advanced search
Publication Cover
Molecular Simulation Volume 42, 2016 - Issue 5
Submit an article Journal homepage
634
Views
33
CrossRef citations to date
0
Altmetric
Articles

Periodic boundary conditions for the simulation of uniaxial extensional flow of arbitrary duration

Thomas A. HuntD3-Computation, Istituto Italiano di Tecnologia, via Morego 30, Genova16163, Italy;Department of Physics, University of Rome “La Sapienza”, Ple A. Moro 5, 00185Rome, Italy;Computational Biophysics, University of Twente, P.O. Box 217, 7500 AEEnschede, The NetherlandsCorrespondence[email protected]
View further author information
Pages 347-352 | Received 09 Sep 2014, Accepted 11 May 2015, Published online: 07 Jul 2015

Citations (33)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (1)

Matthew Dobson & Abdel Kader Geraldo. (2019) Strong convergence of integrators for nonequilibrium Langevin dynamics. Molecular Simulation 45:11, pages 912-920.
Read now

Articles from other publishers (32)

Matthew Dobson & Abdel Kader A. Geraldo. (2023) Convergence of Nonequilibrium Langevin Dynamics for Planar Flows. Journal of Statistical Physics 190:5.
Crossref
Nuofei Jiang & Evelyne van Ruymbeke. (2023) Variation of Spring Stiffness, Monomeric Friction, and Brownian Intensity in the Simulation System of Unentangled Melt under Steady Flow. Macromolecules 56:8, pages 2911-2929.
Crossref
Mohammad Hadi Nafar Sefiddashti, Brian J. Edwards & Bamin Khomami. (2023) Atomistic Simulation of Flow-Induced Microphase Separation and Crystallization of an Entangled Polyethylene Melt Undergoing Uniaxial Elongational Flow and the Role of Kuhn Segment Extension. Polymers 15:8, pages 1831.
Crossref
Matthew Dobson & Abdel Kader A. Geraldo. (2023) Simple periodic boundary conditions for molecular simulation of uniaxial flow. Journal of Computational Physics 473, pages 111740.
Crossref
Yexin Zheng, Mesfin Tsige & Shi‐Qing Wang. (2022) Molecular Dynamics Simulation of Entangled Melts at High Rates: Identifying Entanglement Lockup Mechanism Leading to True Strain Hardening. Macromolecular Rapid Communications 44:1.
Crossref
Takahiro Murashima, Katsumi Hagita & Toshihiro Kawakatsu. (2022) Topological Transition in Multicyclic Chains with Structural Symmetry Inducing Stress-Overshoot Phenomena in Multicyclic/Linear Blends under Biaxial Elongational Flow. Macromolecules 55:21, pages 9358-9372.
Crossref
Joel T. Clemmer & Mark O. Robbins. (2022) Critical Scaling of Solid Fragmentation at Quasistatic and Finite Strain Rates. Physical Review Letters 129:7.
Crossref
Zhiqiang Shen, Jan-Michael Y. Carrillo, Bobby G. Sumpter & Yangyang Wang. (2022) Fingerprinting Brownian Motions of Polymers under Flow. Physical Review Letters 129:5.
Crossref
Francesca Tedeschi, Giulio G. Giusteri, Leonid Yelash & Mária Lukáčová-Medvid'ová. (2022) A multi-scale method for complex flows of non-Newtonian fluids. Mathematics in Engineering 4:6, pages 1-22.
Crossref
Joel T. Clemmer, Ishan Srivastava, Gary S. Grest & Jeremy B. Lechman. (2021) Shear Is Not Always Simple: Rate-Dependent Effects of Flow Type on Granular Rheology. Physical Review Letters 127:26.
Crossref
Takahiro Murashima, Katsumi Hagita & Toshihiro Kawakatsu. (2021) Viscosity Overshoot in Biaxial Elongational Flow: Coarse-Grained Molecular Dynamics Simulation of Ring–Linear Polymer Mixtures. Macromolecules 54:15, pages 7210-7225.
Crossref
Daria Lazarenko & Fardin Khabaz. (2021) Thermodynamics and Rheology of Imidazolium-Based Ionic Liquid–Oil Mixtures: A Molecular Simulation Study. The Journal of Physical Chemistry B 125:22, pages 5897-5908.
Crossref
Paul L. Barclay & Duan Z. Zhang. (2021) Periodic boundary conditions for arbitrary deformations in molecular dynamics simulations. Journal of Computational Physics 435, pages 110238.
Crossref
Joel T. Clemmer, K. Michael Salerno & Mark O. Robbins. (2021) Criticality in sheared, disordered solids. II. Correlations in avalanche dynamics. Physical Review E 103:4.
Crossref
Joel T. Clemmer, K. Michael Salerno & Mark O. Robbins. (2021) Criticality in sheared, disordered solids. I. Rate effects in stress and diffusion. Physical Review E 103:4.
Crossref
N. Moreno & M. Ellero. (2021) Arbitrary flow boundary conditions in smoothed dissipative particle dynamics: A generalized virtual rheometer. Physics of Fluids 33:1.
Crossref
David A. Nicholson & Gregory C. Rutledge. (2020) Flow-induced inhomogeneity and enhanced nucleation in a long alkane melt. Polymer 200, pages 122605.
Crossref
Alberto Castellanos Campillo, Juan Pablo Aguayo Vallejo, Rafael Herrera Nájera & Ángel Enrique Chávez Castellanos. (2020) Theoretical predictions for upper-convected Maxwell fluids in mixed shear and planar extensional flows. AIP Advances 10:5.
Crossref
Thomas C. O’Connor, Austin Hopkins & Mark O. Robbins. (2019) Stress Relaxation in Highly Oriented Melts of Entangled Polymers. Macromolecules 52:22, pages 8540-8550.
Crossref
J. Ravi Prakash. (2019) Universal dynamics of dilute and semidilute solutions of flexible linear polymers. Current Opinion in Colloid & Interface Science 43, pages 63-79.
Crossref
Charles D. Young & Charles E. Sing. (2019) Simulation of semidilute polymer solutions in planar extensional flow via conformationally averaged Brownian noise. The Journal of Chemical Physics 151:12.
Crossref
David A. Nicholson & Gregory C. Rutledge. (2019) An assessment of models for flow-enhanced nucleation in an n -alkane melt by molecular simulation . Journal of Rheology 63:3, pages 465-475.
Crossref
Richard S. Graham. (2019) Understanding flow-induced crystallization in polymers: A perspective on the role of molecular simulations. Journal of Rheology 63:1, pages 203-214.
Crossref
Takahiro Murashima, Katsumi Hagita & Toshihiro Kawakatsu. (2018) Elongational Viscosity of Weakly Entangled Polymer Melt via Coarse-Grained Molecular Dynamics Simulation. Nihon Reoroji Gakkaishi 46:5, pages 207-220.
Crossref
Giulio G. Giusteri & Ryohei Seto. (2018) A theoretical framework for steady-state rheometry in generic flow conditions. Journal of Rheology 62:3, pages 713-723.
Crossref
Oliver Cheal & Christopher Ness. (2018) Rheology of dense granular suspensions under extensional flow. Journal of Rheology 62:2, pages 501-512.
Crossref
Myfanwy E Evans, Gerd E Schröder-Turk & Andrew M Kraynik. (2017) A geometric exploration of stress in deformed liquid foams. Journal of Physics: Condensed Matter 29:12, pages 124004.
Crossref
David A. Nicholson & Gregory C. Rutledge. (2016) Molecular simulation of flow-enhanced nucleation in n -eicosane melts under steady shear and uniaxial extension . The Journal of Chemical Physics 145:24.
Crossref
Ryuya Mitsuhashi, Hideyuki Kawashima, Takahiro Nishimichi & Osamu Tatebe. (2016) Three-dimensional spatial join count exploiting CPU optimized STR R-tree. Three-dimensional spatial join count exploiting CPU optimized STR R-tree.
Matthew Dobson, Ian Fox & Alexandra Saracino. (2016) Cell list algorithms for nonequilibrium molecular dynamics. Journal of Computational Physics 315, pages 211-220.
Crossref
Zygmunt Gburski & Przemysław Raczyński. 2016. Nanophysics, Nanophotonics, Surface Studies, and Applications. Nanophysics, Nanophotonics, Surface Studies, and Applications 313 320 .
Abdel Kader Geraldo & Matthew Dobson. (2021) Simple Periodic Boundary Conditions for Molecular Simulation of Uniaxial Flow. SSRN Electronic Journal.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.