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Articles

Polymer Dynamics in a Polymer-Solid Interphase: Molecular Dynamics Simulations of 1,4-Polybutadiene At a Graphite Surface

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Pages S80-S89 | Received 28 Mar 2014, Accepted 18 Jun 2014, Published online: 18 Nov 2014

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Mária Lbadaoui-Darvas, Giovanni Garberoglio, Katerina S. Karadima, M. Natália D. S. Cordeiro, Athanasios Nenes & Satoshi Takahama. (2023) Molecular simulations of interfacial systems: challenges, applications and future perspectives. Molecular Simulation 49:12, pages 1229-1266.
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Nikolaos Patsalidis, George Papamokos, George Floudas & Vagelis Harmandaris. (2023) Structure and Dynamics of a Polybutadiene Melt Confined between Alumina Substrates. Macromolecules.
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Nikolaos Patsalidis, George Papamokos, George Floudas & Vagelis Harmandaris. (2022) Understanding the Interaction between Polybutadiene and Alumina via Density Functional Theory Calculations and Machine-Learned Atomistic Simulations. The Journal of Physical Chemistry C 126:39, pages 16792-16803.
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L. Tannoury, M. Solar & W. Paul. (2022) Structure and dynamics of a 1,4-polybutadiene melt in an alumina nanopore: A molecular dynamics simulation. The Journal of Chemical Physics 157:12.
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Bolin Li, Shuqing Zhang, John S. Andre & Zhan Chen. (2021) Relaxation behavior of polymer thin films: Effects of free surface, buried interface, and geometrical confinement. Progress in Polymer Science 120, pages 101431.
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Argyrios V. Karatrantos & Nigel Clarke. 2021. Theory and Modeling of Polymer Nanocomposites. Theory and Modeling of Polymer Nanocomposites 81 100 .
Dieter Richter & Margarita Kruteva. (2019) Polymer dynamics under confinement. Soft Matter 15:37, pages 7316-7349.
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I.V. Volgin, S.V. Larin, A.V. Lyulin & S.V. Lyulin. (2018) Coarse-grained molecular-dynamics simulations of nanoparticle diffusion in polymer nanocomposites. Polymer 145, pages 80-87.
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Hui Wu, Yuji Higaki & Atsushi Takahara. (2018) Molecular self-assembly of one-dimensional polymer nanostructures in nanopores of anodic alumina oxide templates. Progress in Polymer Science 77, pages 95-117.
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Omar Azzaroni & Igal SzleiferK. Binder, S.A. Egorov & A. Milchev. 2017. Polymer and Biopolymer Brushes. Polymer and Biopolymer Brushes 141 159 .
M. Solar, K. Binder & W. Paul. (2017) Relaxation processes and glass transition of confined polymer melts: A molecular dynamics simulation of 1,4-polybutadiene between graphite walls. The Journal of Chemical Physics 146:20.
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M. Krutyeva, S. Pasini, M. Monkenbusch, J. Allgaier, J. Maiz, C. Mijangos, B. Hartmann-Azanza, M. Steinhart, N. Jalarvo & D. Richter. (2017) Polymer dynamics under cylindrical confinement featuring a locally repulsive surface: A quasielastic neutron scattering study. The Journal of Chemical Physics 146:20.
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Jack Kirk & Patrick Ilg. (2017) Chain Dynamics in Polymer Melts at Flat Surfaces. Macromolecules 50:9, pages 3703-3718.
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R.?J. Masurel, P. Gelineau, S. Cantournet, A. Dequidt, D.?R. Long, F. Lequeux & H. Montes. (2017) Role of Dynamical Heterogeneities on the Mechanical Response of Confined Polymer. Physical Review Letters 118:4.
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Mathieu Solar & Wolfgang Paul. (2017) Chain relaxation in thin polymer films: turning a dielectric type-B polymer into a type-A′ one. Soft Matter 13:8, pages 1646-1653.
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Stelios Alexandris, Periklis Papadopoulos, Georgios Sakellariou, Martin Steinhart, Hans-Jürgen Butt & George Floudas. (2016) Interfacial Energy and Glass Temperature of Polymers Confined to Nanoporous Alumina. Macromolecules 49:19, pages 7400-7414.
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S. V. Lyulin, S. V. Larin, V. M. Nazarychev, S. G. Fal’kovich & J. M. Kenny. (2016) Multiscale computer simulation of polymer nanocomposites based on thermoplastics. Polymer Science Series C 58:1, pages 2-15.
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Cornelius Franz, Frank Lange, Yury Golitsyn, Brigitte Hartmann-Azanza, Martin Steinhart, Margarita Krutyeva & Kay Saalwächter. (2015) Chain Dynamics and Segmental Orientation in Polymer Melts Confined to Nanochannels. Macromolecules 49:1, pages 244-256.
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M. Solar & W. Paul. (2015) Dielectric α-relaxation of 1,4-polybutadiene confined between graphite walls. The European Physical Journal E 38:5.
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