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Publications

2020

Shen, K.-H.; Hall, L.M. "Ion Conductivity and Correlations in Model Salt-Doped Polymers: Effects of Interaction Strength and Concentration" 2020, arxiv:2001.09554

2019

Seo, Y.; Shen, K.-H.;Brown, J.R.; Hall, L.M. "Role of solvation on diffusion of ions in diblock copolymers: understanding the molecular weight effect through modeling", Journal of the American Chemical Society 2019, 141, 46, 18455-18466

Ethier, J.G.; Drummy, L. F.; Vaia, R. A.; Hall, L.M. "Uniaxial Deformation and Crazing in Glassy Polymer-Grafted Nanoparticle Ultrathin Films", ACS  Nano 2019Advance Article

Ketkar, P.M.; Shen, K.-H.; Hall, L.M.; Epps, T.H. "Charging toward improved lithium-ion polymer electrolytes: exploiting synergistic experimental and computational approaches to facilitate materials design", Molecular Systems Design & Engineering 2019, 4, 223-238.

Trazkovich, A.J.; Wendt, M.F.; Hall, L.M. "Effect of Copolymer Sequence on Local Viscoelastic Properties near a Nanoparticle", Macromolecules 201952, 513-527.

2018

Ethier, J.G.; Hall, L.M. "Structure and Entanglement Network of Model Polymer-Grafted Nanoparticle Monolayers"Macromolecules 2018, 51, 9878–9889.

Shen, K.-H.; Brown, J.R.; Hall, L.M. "Diffusion in Lamellae, Cylinders, and Double Gyroid Block Copolymer Nanostructures", ACS Macro Letters 2018, 7, 1092–1098.

Sampath, J.; Hall, L.M. "Impact of ion content and electric field on mechanical properties of coarse-grained ionomers", The Journal of Chemical Physics 2018, 149, 163313.

Trazkovich, A.J.; Wendt, M.F.; Hall, L.M. "Effect of copolymer sequence on structure and relaxation times near a nanoparticle surface", Soft Matter 2018, 14, 5913–5921.

Sampath, J.; Hall, L.M. "Influence of a nanoparticle on the structure and dynamics of model ionomer melts", Soft Matter 2018, 14, 4621–4632.

Brown, J.R.; Seo, Y.; Hall, L.M. "Ion Correlation Effects in Salt-Doped Block Copolymers", Physical Review Letters 2018, 120, 127801.

Sampath, J.; Hall, L.M. "Effect of Neutralization on the Structure and Dynamics of Model Ionomer Melts"Macromolecules 2018, 51, 626–637.

Ethier, J.G.; Hall, L.M. "Modeling individual and pairs of adsorbed polymer-grafted nanoparticles: structure and entanglements"Soft Matter 201814, 643-652.

2017

Sampath, J.; Hall, L.M. "Impact of ionic aggregate structure on ionomer mechanical properties from coarse-grained molecular dynamics simulations"The Journal of Chemical Physics 2017147, 134901.

Gartner, T.E., III; Kubo, T.; Seo, Y.; Tansky, M.; Hall, L.M.; Sumerlin, B.S.; Epps, T.H., III "Domain Spacing and Composition Profile Behavior in Salt-Doped Cyclic vs Linear Block Polymer Thin Films: A Joint Experimental and Simulation Study"Macromolecules 2017, 50, 7169-7176.

Brown, J.R.; Seo, Y.; Sides, S.W.; Hall, L.M. "Unique Phase Behavior of Inverse Tapered Block Copolymers: Self-Consistent Field Theory and Molecular Dynamics Simulations", Macromolecules 2017, 50, 5619-5626.

Prasad, I.; Seo, Y.; Hall, L. M.; Grason, G. M. "Intradomain Textures in Block Copolymers: Multizone Alignment and Biaxiality", Physical Review Letters 2017118, 247801.

Seo, Y.; Brown, J. R.; Hall, L. M. "Diffusion of selective penetrants in interfacially modified block copolymers from molecular dynamics simulations"ACS Macro Letters 20176, 375-380.

2016

Levine, W. G.; Seo, Y.; Brown, J. R.; Hall, L. M. "Effect of sequence dispersity on morphology of tapered diblock copolymers from molecular dynamics simulations"The Journal of Chemical Physics 2016, 145, 234907.

Myint, K. H.; Brown, J. R.; Shim, A. R.; Wyslouzil, B. E.; Hall, L. M. "Encapsulation of Nanoparticles During Polymer Micelle Formation: A Dissipative Particle Dynamics Study", The Journal of Physical Chemistry B 2016, 120, 11582-11594.

Luo, M.; Brown, J. R.; Remy, R. A.; Scott, D. M.; Mackay, M. E.; Hall, L. M.; Epps, T. H. "Determination of Interfacial Mixing in Tapered Block Polymer Thin Films: Experimental and Theoretical Investigations"Macromolecules 201649, 5213–5222.

Brown, J. R.; Seo, Y.; Maula, T. A. D.; Hall, L. M. "Fluids density functional theory and initializing molecular dynamics simulations of block copolymers."The Journal of Chemical Physics 2016144, 124904.

Vijayaraghavan, P.; Brown, J. R.; Hall, L. M. "Modeling the Effect of Polymer Composition on Ionic Aggregation in Poly (propylene glycol)‐Based Ionenes." Macromolecular Chemistry and Physics 2016, 217, 930-939.

2015

Seo, Y.; Brown, J. R.; Hall, L. M. "Effect of Tapering on Morphology and Interfacial Behavior of Diblock Copolymers from Molecular Dynamics Simulations"Macromolecules 2015, 48, 4974-4982.

2013

Brown, J. R.; Sides, S. W.; Hall, L. M. "Phase Behavior of Tapered Diblock Copolymers from Self-Consistent Field Theory"ACS Macro Letters 2013, 2, 1105-1109. 

2012

Hall, L. M.; Stevens, M. J.; Frischknecht, A. L. "Dynamics of Model Ionomer Melts of Various Architectures", Macromolecules 2012, 45, 8097-8108.

2011

Hall, L. M.; Schweizer, K. S. "Impact of Monomer Sequence, Composition and Chemical Heterogeneity on Copolymer-Mediated Effective Interactions between Nanoparticles in Melts", Macromolecules 2011, 44, 3149-3160.

Hall, L. M.; Stevens, M. J.; Frischknecht, A. L. "Effect of Polymer Architecture and Ionic Aggregation on the Scattering Peak in Model Ionomers", Physical Review Letters 2011, 106, 127801.

Hall, L. M.; Seitz, M. E.; Winey, K. I.; Opper, K. L.; Wagener, K. B.; Stevens, M. J.; Frischknecht, A. L. "Ionic Aggregate Structure in Ionomer Melts: Effect of Molecular Architecture on Aggregates and the Ionomer Peak", Journal of the American Chemical Society 2011, 134, 574-587.

2010

Hall, L. M.; Jayaraman, A.; Schweizer, K. S. "Molecular Theories of Polymer Nanocomposites", Current Opinion in Solid State and Materials Science 2010, 14, 38-48.

Hall, L. M.; Schweizer, K. S. "Structure, Scattering Patterns and Phase Behavior of Polymer Nanocomposites with Nonspherical Fillers", Soft Matter 2010, 6, 1015-1025.

Kim, S. Y.; Hall, L. M.; Schweizer, K. S.; Zukoski, C. F. "Long Wavelength Concentration Fluctuations and Cage Scale Ordering of Nanoparticles in Concentrated Polymer Solutions", Macromolecules 2010, 43, 10123-10131.

2009

Hall, L. M.; Anderson, B. J.; Zukoski, C. F.; Schweizer, K. S. "Concentration Fluctuations, Local Order, and the Collective Structure of Polymer Nanocomposites", Macromolecules 2009, 42, 8435-8442.

2008

Hall, L. M.; Schweizer, K. S. "Many Body Effects on the Phase Separation and Structure of Dense Polymer-Particle Melts", The Jornal of Chemical Physics  2008, 128, 234901.

2007

Sen, S.; Xie, Y.; Kumar, S. K.; Yang, H.; Bansal, A.; Ho, D. L.; Hall, L. M.; Hooper, J. B.; Schweizer, K. S. "Chain Conformations and Bound-Layer Correlations in Polymer Nanocomposites" Physical Review Letters 2007, 98, 128302.

2005

Jain, A.; Toombes, G. ES.; Hall, L. M.; Mahajan, S.; Garcia, C. BW.; Probst, W.; Gruner, S. M.; Wiesner, U. "Direct Access to Bicontinuous Skeletal Inorganic Plumber's Nightmare Networks from Block Copolymers", Angewandte Chemie International Edition 2005, 44, 1226-1229.

Jain, A.; Hall, L. M.; Garcia, C. BW.; Gruner, S. M.; Wiesner, U. "Flow-induced Alignment of Block Copolymer-sol Nanoparticle Coassemblies toward Oriented Bulk Polymer-Silica Hybrids", Macromolecules 2005, 38, 10095-10100.