Elongated ring polymers get tied up in knots

image of Elongated ring polymers getting tied up in knots

Many polymer liquids flow easily when stretched gently but become viscous and solid-like when stretched rapidly. This phenomenon, known as strain hardening, happens when the liquid is deformed so fast that individual polymer chains become elongated at the molecular scale. Understanding the physics of strain hardening is important for a range of applications, from controlling blood clotting to processing and recycling plastic materials to polymers for 3D printing. Most of the time, strain hardening disappears if a polymer is stretched gently. However, scientists at the Center for Integrated Nanotechnologies, a Department of Energy Office of Science user facility, have used molecular simulations to show that a special type of polymer liquid made of polymer rings defies this rule. No matter how slowly these liquids are stretched, they always grow more viscous and solid-like. The researchers found that stretching, or elongational flow, drives the polymer rings to tie together into long, molecular chains that act like massive molecules and that elongate even when flow is weak. The formation of just a small number of these elongated daisy-chains can produce a massive increase in the fluid viscosity. This means it behaves more like a solid. This characteristic could be harnessed to design intelligent fluids that become highly viscous when elongated but flow easily under different flow conditions. 

Sandia researchers linked to work

  • Gary Grest

Sponsored by

<!-- wp:image {"align":"left","id":11777,"sizeSlug":"full","linkDestination":"none"} --> <div class="wp-block-image"><figure class="alignleft size-full"><img src="https://www.sandia.gov/app/uploads/sites/156/2023/05/Analytic-Solutions.png" alt="A Sandia researcher looks at the camera with a background of zeros and ones behind him." class="wp-image-11777"/></figure></div> <!-- /wp:image --> <!-- wp:paragraph --> <p>Multimaterial problems exist in mission applications such as mechanics and subsurface transport. To capture effects arising from long-range forces at the microscale and mesoscale that aren’t accounted for by classical partial differential equations, the MAThematical foundations for Nonlocal Interface Problems (MATNIP) project team developed a mathematically rigorous interface theory employing nonlocal models that use integral as opposed to differential operators. By applying their theory to domain decomposition methods, the team was able to achieve speedups of up to 7x in solve in solve time in large-scale simulations. The issue of parameter selection for nonlocal models from experimental data was successfully tackled using both adjoint optimization and ML approaches.</p> <!-- /wp:paragraph --> <!-- wp:paragraph --> <p>The Sandia team collaborated with Los Alamos and Oak Ridge National Laboratories, as well as Florida State University, Sandia Alliance partner University of Texas at Austin, and Lehigh University. The project team had fifteen publications, presented talks, and a former team member, Marta D’Elia, was nominated for the SIAM Wilkinson Price in Scientific Computing and Numerical Analysis for contributions to nonlocal modeling.</p> <!-- /wp:paragraph --> <!-- wp:separator {"className":"is-style-wide"} --> <hr class="wp-block-separator is-style-wide"/> <!-- /wp:separator --> <!-- wp:heading --> <h2>Sandia researchers linked to work</h2> <!-- /wp:heading --> <!-- wp:list --> <ul><li>Christian Glusa</li><li>Mamikon Gulian</li><li>Pavel Bochev</li><li>Mario Martinez</li></ul> <!-- /wp:list --> <!-- wp:separator {"className":"is-style-wide"} --> <hr class="wp-block-separator is-style-wide"/> <!-- /wp:separator --> <!-- wp:heading --> <h2><strong>Sponsored by</strong></h2> <!-- /wp:heading --> <!-- wp:columns --> <div class="wp-block-columns"><!-- wp:column --> <div class="wp-block-column"><!-- wp:image {"id":10926,"sizeSlug":"full","linkDestination":"none"} --> <figure class="wp-block-image size-full"><img src="https://www.sandia.gov/app/uploads/sites/156/2023/03/CMYK_Color-Seal_Green-Mark_SC_Vertical.png" alt="" class="wp-image-10926"/></figure> <!-- /wp:image --></div> <!-- /wp:column --> <!-- wp:column --> <div class="wp-block-column"><!-- wp:image {"id":10927,"sizeSlug":"full","linkDestination":"none"} --> <figure class="wp-block-image size-full"><img src="https://www.sandia.gov/app/uploads/sites/156/2023/03/LDRD_Icon-01.png" alt="" class="wp-image-10927"/></figure> <!-- /wp:image --></div> <!-- /wp:column --></div> <!-- /wp:columns --> <!-- wp:separator {"className":"is-style-wide"} --> <hr class="wp-block-separator is-style-wide"/> <!-- /wp:separator -->

About CINT

The Center for Integrated Nanotechnologies is a Department of Energy-funded nanoscience research facility that provides users from around the world with access to state of the art expertise and instrumentation in a collaborative, multidisciplinary environment with a focus on nanoscience integration. Our mission is to provide scientific understanding underlying nanoscale integration through the assembly of diverse materials across multiple length scales, with the ultimate goal of designing and achieving new material properties and functionalities.

Associated Publications

Nelson Bell, Hannah Narcross, Ashley Bowman, Annika Jansen, Gary Grest, Bryce Thurston, (2022). Anti-Icing Coatings using Ionomer Film Layer Structuring https://doi.org/10.2172/1894425 Publication ID: 80391

Yanfei Tang, John McLaugahan, Gary Grest, shengfeng cheng, (2022). Modeling Solution Drying by Moving a Liquid-Vapor Interface: Method and Applications Polymers https://doi.org/10.3390/polym14193996 Publication ID: 80323

Joseph Monti, Joel Clemmer, Ishan Srivastava, Leonardo Silber, Gary Grest, Jeremy Lechman, (2022). Large-scale frictionless jamming with power-law particle size distributions Physical Review. E https://doi.org/10.1103/physreve.106.034901 Publication ID: 80151

Supun Mohottalalage, Manjula Senanayake, Joel Clemmer, Dvora Perahia, Gary Grest, Thomas O’Connor, (2022). Nonlinear Elongation Flows in Associating Polymer Melts: From Homogeneous to Heterogeneous Flow Physical Review. X https://doi.org/10.1103/physrevx.12.021024 Publication ID: 80665

Jonathan Bollinger, Gary Grest, Mark Stevens, Michael Rubinstein, (2021). Overlap Concentration in Salt-Free Polyelectrolyte Solutions Macromolecules https://doi.org/10.1021/acs.macromol.1c01491 Publication ID: 76210

Thomas O’Connor, Joel Clemmer, Gary Grest, Mark Stevens, (2021). Modeling the Nonlinear Rheology of Polymer Additive Manufacturing https://doi.org/10.2172/1832524 Publication ID: 76891

Andrew Santos, Ishan Srivastava, Leonardo Silbert, Jeremy Lechman, Gary Grest, (2021). Flow Simulations of Size Disperse Granular Particles with Realistic Contact Models https://doi.org/10.2172/1899463 Publication ID: 76759

Ishan Srivastava, Joel Clemmer, Leonardo Silbert, Jeremy Lechman, Gary Grest, (2021). Jamming of bidisperse frictional spheres Physical Review Research https://doi.org/10.1103/PhysRevResearch.3.L032042 Publication ID: 79869

Thomas O’Connor, (2021). Shear rheology of a recyclable ring polymer system https://www.osti.gov/servlets/purl/1884902 Publication ID: 75450

Joel Clemmer, Thomas O’Connor, Dan Bolintineanu, Jeremy Lechman, (2021). Mesoscale models for fluids and solids in LAMMPS https://doi.org/10.2172/1888659 Publication ID: 79586

Manjula Senanayake, Dipak Aryal, Gary Grest, Dvora Perahia, (2021). Interfacial Response and Structural Adaptation of Structured Polyelectrolyte Thin Films Macromolecules https://doi.org/10.1021/acs.macromol.0c02838 Publication ID: 77533

Daniele Parisi, Salvatore Costanzo, Youncheol Jeong, Junyoung Ahn, Taihyun Chang, Dimitris Vlassopoulos, Jonathan Halverson, Kurt Kremer, Ting Ge, Michael Rubinstein, Gary Grest, Watee Srinin, Alexander Grosberg, (2021). Nonlinear Shear Rheology of Entangled Polymer Rings Macromolecules https://doi.org/10.1021/acs.macromol.0c02839 Publication ID: 77539

Joel Clemmer, Ishan Srivastava, Jeremy Lechman, Gary Grest, (2021). Impact of loading geometry on steady-state flow of frictional granular packings https://doi.org/10.2172/1882039 Publication ID: 77575

Gary Grest, (2021). Computer Simulations of Entangled Polymer Melts: From Segmental Dynamics to Viscoelastic Response https://doi.org/10.2172/1855561 Publication ID: 77584

Andrew Santos, Ishan Srivastava, Jeremy Lechman, Leonardo Silbert, Gary Grest, (2021). Flow simulations of size disperse granular particles with realistic contact models https://doi.org/10.2172/1861028 Publication ID: 77865

Andrew Santos, Ishan Srivastava, Leonardo Silbert, Jeremy Lechman, Gary Grest, (2021). Granular rheology with sliding rolling and twisting friction https://doi.org/10.2172/1856090 Publication ID: 77656

Manjula Senanayake, Dvora Perahia, Gary Grest, (2021). Effects of interaction strength of associating groups on linear and star polymer dynamics Journal of Chemical Physics https://doi.org/10.1063/5.0038097 Publication ID: 77482

Andrew Santos, Ishan Srivastava, Leonardo Silbert, Jeremy Lechman, Gary Grest, (2021). Reasons to resist rolling and twisting in granular materials https://doi.org/10.2172/1845185 Publication ID: 76452

J. Lane, Aidan Thompson, I. Srivastava, Gary Grest, Tommy Ao, B. Stoltzfus, K. Austin, H. Fan, D. Morgan, Marcus Knudson, (2020). Scale and rate in CdS pressure-induced phase transition AIP Conference Proceedings https://doi.org/10.1063/12.0001041 Publication ID: 64804

Joel Clemmer, Jeremy Lechman, Gary Grest, (2020). Impact of loading geometry on steady-state flow of frictional granular packings https://doi.org/10.2172/1832718 Publication ID: 71874

Anine Borger, Wendi Wang, Thomas O’Connor, Ting Ge, Gary Grest, Grethe Jensen, Junyoung Ahn, Taihyun Chang, Ole Hassager, Kell Mortensen, Dimitris Vlassopoulos, Qian Huang, (2020). Threading-Unthreading Transition of Linear-Ring Polymer Blends in Extensional Flow ACS Macro Letters https://doi.org/10.1021/acsmacrolett.0c00607 Publication ID: 71203

Brandon Peters, K. Salerno, Ting Ge, Dvora Perahia, Gary Grest, (2020). Viscoelastic Response of Dispersed Entangled Polymer Melts Macromolecules https://doi.org/10.1021/acs.macromol.0c01403 Publication ID: 74608

Andrew Santos, Dan Bolintineanu, Gary Grest, Jeremy Lechman, Steven Plimpton, Ishan Srivastava, Leonardo Silbert, (2020). Granular packings with sliding, rolling, and twisting friction Physical Review E https://doi.org/10.1103/physreve.102.032903 Publication ID: 74957

Ting Ge, Michael Rubinstein, Gary Grest, (2020). Effects of Tethered Polymers on Dynamics of Nanoparticles in Unentangled Polymer Melts Macromolecules https://doi.org/10.1021/acs.macromol.9b01921 Publication ID: 74609

Andrew Santos, Ishan Srivastava, Leonardo Silbert, Jeremy Lechman, Gary Grest, (2020). Granular rheology with sliding rolling and twisting friction https://www.osti.gov/servlets/purl/1811978 Publication ID: 74321

Andrew Santos, Gary Grest, Jeremy Lechman, I. Srivastava, Leonardo Silbert, (2020). Granular rheology with sliding rolling and twisting friction https://www.osti.gov/servlets/purl/1776680 Publication ID: 73243

Gary Grest, (2020). Computer Simulations of Entangled Polymer Melts: From Segmental Dynamics to Viscoelastic Response https://www.osti.gov/servlets/purl/1768354 Publication ID: 72822

Mark Stevens, Jonathan Bollinger, Gary Grest, Michael Rubinstein, (2020). The Overlap Concentration in Strong Polyelectrolytes https://www.osti.gov/servlets/purl/1768730 Publication ID: 72834

Andrew Santos, I. Srivastava, Dan Bolintineanu, Jeremy Lechman, Gary Grest, Steven Plimpton, Leonardo Silbert, (2020). Granular packings with sliding rolling and twisting friction https://www.osti.gov/servlets/purl/1783583 Publication ID: 72855

Thomas O’Connor, Gary Grest, Michael Rubinstein, (2020). Topological Linking Drives Anomalous Thickening of Ring Polymers in Weak Extensional Flows Physical Review Letters https://doi.org/10.1103/PhysRevLett.124.027801 Publication ID: 73739

Thomas O’Connor, (2020). Tight-Links In Extensional Flows of Nonconcatenated Ring Polymers https://www.osti.gov/servlets/purl/1760992 Publication ID: 70662

Andrew Santos, I. Srivastava, Dan Bolintineanu, Silbert Leonardo, Jeremy Lechman, Gary Grest, (2019). Granular packings with sliding rolling and twisting friction https://www.osti.gov/servlets/purl/1643478 Publication ID: 66698

Thomas O’Connor, Austin Hopkins, Mark Robbins, (2019). Stress Relaxation in Highly Oriented Melts of Entangled Polymers Macromolecules https://doi.org/10.1021/acs.macromol.9b01161 Publication ID: 66263

Thomas O’Connor, (2019). Relating Solvent Dynamics to the Extensional Viscosity of Entangled Polymer Solutions https://www.osti.gov/servlets/purl/1643266 Publication ID: 66262

Mark Stevens, Jon Bollinger, Gary Grest, Michael Rubinstein, (2019). Recent Results in Polyelectrolyte Simulations https://www.osti.gov/servlets/purl/1642589 Publication ID: 65106

Gary Grest, (2019). Going up in time and length scales in modeling entangled polymers https://www.osti.gov/servlets/purl/1642136 Publication ID: 65238

James Lane, Jason Koski, I. Srivastava, Gary Grest, Tommy Ao, B. Stoltzfus, K. Austin, Hongyou Fan, Dane Morgan, Marcus Knudson, (2019). Scale and rate dependence of phase transition pressure in CdS nanoparticles https://www.osti.gov/servlets/purl/1641927 Publication ID: 64761

Jeremy Lechman, Stephen Bond, Dan Bolintineanu, Gary Grest, C. Yarrington, Leonardo Silbert, (2019). Random walks on jammed networks: Spectral properties Physical Review E https://doi.org/10.1103/PhysRevE.100.012905 Publication ID: 64028

I. Srivastava, Brandon Peters, J. Lane, Hongyou Fan, K. Salerno, Gary Grest, (2019). Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressures Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.9b02438 Publication ID: 69656

Yanfei Tang, Gary Grest, Shengfeng Cheng, (2019). Stratification of drying particle suspensions: Comparison of implicit and explicit solvent simulations Journal of Chemical Physics https://doi.org/10.1063/1.5066035 Publication ID: 68973

I. Srivastava, Gary Grest, Leonardo Silbert, Jeremy Lechman, (2019). Flow-Arrest Transition and Viscometric Rheology of Granular Materials https://www.osti.gov/servlets/purl/1648847 Publication ID: 69389

I. Srivastava, Gary Grest, Leonardo Silbert, Jeremy Lechman, (2019). Statistical and Continuum Modeling of Dense Granular Flows at the Flow-Arrest Transition https://www.osti.gov/servlets/purl/1640969 Publication ID: 69425

Andrew Santos, I. Srivastava, Dan Bolintineanu, Jeremy Lechman, Leonard Silbert, Gary Grest, (2019). Rolling Twisting and Cohesion in Granular Packings https://www.osti.gov/servlets/purl/1640171 Publication ID: 68783

I. Srivastava, Gary Grest, Jeremy Lechman, Leonardo Silbert, (2019). Normal Stresses in Frictional Granular Flows https://www.osti.gov/servlets/purl/1639302 Publication ID: 67346

Jeremy Lechman, I. Srivastava, Dan Bolintineanu, Gary Grest, (2019). Elucidating Metal Powder Rheology via Discrete Element Simulations and Mechanically Stirred Powder Rheometry https://www.osti.gov/servlets/purl/1639572 Publication ID: 67758

Thomas O’Connor, Gary Grest, Ting Ge, Michael Rubinstein, (2019). Unexpected Extensional Rheology in Ring Polymer Melts https://www.osti.gov/servlets/purl/1639239 Publication ID: 67232

Ishan Srivastava, Brandon Peters, James Lane, Hongyou Fan, Gary Grest, Michael Salerno, (2018). Mechanics of Gold Nanoparticle Superlattices at High Hydrostatic Pressure https://doi.org/10.2172/1476165 Publication ID: 59243

Sidath Wijesinghe, Dvora Perahia, Gary Grest, (2018). Temperature response of soft ionizable polymer nanoparticles Journal of Chemical Physics https://doi.org/10.1063/1.5043226 Publication ID: 64130

Brandon Peters, K. Salerno, Ting Ge, Dvora Perahia, Gary Grest, (2018). Effect of Chain Length Dispersity on the Mobility of Entangled Polymers Physical Review Letters https://doi.org/10.1103/PhysRevLett.121.057802 Publication ID: 63230

Jeremy Lechman, Dan Bolintineanu, Anne Grillet, I. Srivastava, Gary Grest, (2018). Elucidating Metal Powder Rheology via Discrete Element Simulations and Mechanically Stirred Powder Rheometry https://www.osti.gov/servlets/purl/1806773 Publication ID: 63372

I. Srivastava, Leonardo Silbert, Jeremy Lechman, Gary Grest, (2018). Flow-Arrest Transitions and Rheology in Stressed Granular Materials https://www.osti.gov/servlets/purl/1574278 Publication ID: 63483

Gary Grest, K. Salerno, Brandon Peters, Ting Ge, Dvora Perahia, (2018). Resolving Properties of Entangled Polymers Melts through Atomistic Derived Coarse-Grained Models https://doi.org/10.1007/978-3-319-42913-7_34-1 Publication ID: 63229

Yanfei Tang, Gary Grest, Shengfeng Cheng, (2018). Stratification in Drying Films Containing Bidisperse Mixtures of Nanoparticles Langmuir https://doi.org/10.1021/acs.langmuir.8b01334 Publication ID: 62742

I. Srivastava, Gary Grest, Jeremy Lechman, Leonardo Silbert, (2018). Stress-based simulations: predictions of granular flow-arrest transition and continuum rheology https://www.osti.gov/servlets/purl/1531088 Publication ID: 62840

Brandon Peters, Gary Grest, (2018). Effect of polydispersity on the dynamics and structure of entangled lamellae forming block copolymers https://www.osti.gov/servlets/purl/1529480 Publication ID: 62686

I. Srivastava, Jeremy Lechman, Dan Bolintineanu, Leonardo Silbert, Gary Grest, (2018). Deformation and Flow in Dense Granular Matter from Stress-based Discrete Element Simulations https://www.osti.gov/servlets/purl/1512008 Publication ID: 61948

I. Srivastava, Jeremy Lechman, Leionardo Silbert, Gary Grest, (2018). Stress-induced Flow-Arrest Transitions in Frictional Granular Materials https://www.osti.gov/servlets/purl/1498822 Publication ID: 60966

Gary Grest, Brandon Peters, K. Salerno, Ting Ge, Dvora Perahia, (2018). Dynamic of Entangled Dispersed Polymer Melts https://www.osti.gov/servlets/purl/1499851 Publication ID: 61013

James Lane, I. Srivastava, Brandon Peters, Hongyou Fan, Gary Grest, K. Salerno, (2018). Pressure-dependent Structure and Mechanics of Grafted Gold Nanoparticle Superlattices https://www.osti.gov/servlets/purl/1500157 Publication ID: 61035

Jason Koski, Stan Moore, Gary Grest, Mark Stevens, (2017). Effect of an external field on capillary waves in a dipolar fluid Physical Review E https://doi.org/10.1103/PhysRevE.96.063106 Publication ID: 67238

Dong Meng, Sanat Kumar, Gary Grest, Nathan Mahynski, Athanassios Panagiotopoulos, (2017). Reentrant equilibrium disordering in nanoparticle-polymer mixtures npj Computational Materials https://doi.org/10.1038/s41524-016-0005-8 Publication ID: 52749

Brandon Peters, Darin Pike, Michael Rubinstein, Gary Grest, (2017). Polymers at Liquid/Vapor Interface ACS Macro Letters https://doi.org/10.1021/acsmacrolett.7b00466 Publication ID: 59824

Gary Grest, (2017). Effect of polydispersity on the dynamics structure and topology of entangled lamellae forming block copolymers https://www.osti.gov/servlets/purl/1511120 Publication ID: 54181

Dipak Aryal, Anupriya Agrawal, Dvora Perahia, Gary Grest, (2017). Structured Ionomer Thin Films at Water Interface: Molecular Dynamics Simulation Insight Langmuir https://doi.org/10.1021/acs.langmuir.7b02485 Publication ID: 58334

Dipak Aryal, Anupriya Agrawal, Dvora Perahia, Gary Grest, (2017). Structure and Dynamics of Ionic Block Copolymer Melts: Computational Study Macromolecules https://doi.org/10.1021/acs.macromol.7b00724 Publication ID: 53170

I. Srivastava, Dan Bolintineanu, Leonardo Silbert, Jeremy Lechman, Gary Grest, (2017). Flow-Arrest Transition and Compaction of Frictional and Cohesive Granular Materials https://www.osti.gov/servlets/purl/1509627 Publication ID: 53294

Gary Grest, (2017). Resolving Properties of Polymers and Nanoparticle Assembly through Coarse-Grained Computational Studies https://doi.org/10.2172/1395439 Publication ID: 53158

Brandon Peters, Gary Grest, (2017). Dynamics in entangled polyethylene melts using coarse-grained models https://www.osti.gov/servlets/purl/1882125 Publication ID: 58061

Sidath Wijesinghe, Sabina Maskey, Dvora Perahia, Gary Grest, (2017). Luminescent tunable polydots: Charge effects in confined geometry Journal of Chemical Physics https://doi.org/10.1063/1.4990506 Publication ID: 56101

Brandon Peters, K. Salerno, Anupriya Agrawal, Dvora Perahia, Gary Grest, (2017). Coarse-Grained Modeling of Polyethylene Melts: Effect on Dynamics Journal of Chemical Theory and Computation https://doi.org/10.1021/acs.jctc.7b00241 Publication ID: 56833

Gary Grest, (2017). Going up in Time and Length Scales in Modeling Polymers https://www.osti.gov/servlets/purl/1458430 Publication ID: 57035

Gary Grest, (2017). Going up in Time and Length Scales in Modeling Polymers https://www.osti.gov/servlets/purl/1456726 Publication ID: 56100

Binsong Li, Kaifu Bian, J. Lane, K. Salerno, Gary Grest, Tommy Ao, Randy Hickman, J. Wise, Zhongwu Wang, Hongyou Fan, (2017). Superfast assembly and synthesis of gold nanostructures using nanosecond low-temperature compression via magnetic pulsed power Nature Communications https://doi.org/10.1038/ncomms14778 Publication ID: 57725

Brandon Peters, Gary Grest, (2017). Coarse Grained Modeling of Polyethylene Melts: Effect on Dynamics https://doi.org/10.1021/acs.jctc.7b00241 Publication ID: 55574

James Lane, K. Salerno, Gary Grest, Hongyou Fan, (2017). Modeling Ultra-fast assembly and sintering of gold nanostructures https://www.osti.gov/servlets/purl/1427960 Publication ID: 55377

Gary Grest, Jason Koski, (2017). Dynamic of Entangled Polymers: Role of Attractive Interactions https://www.osti.gov/servlets/purl/1456311 Publication ID: 55440

Ting Ge, Jagannathan Kalathi, Jonathan Halverson, Gary Grest, Michael Rubinstein, (2017). Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers Macromolecules https://doi.org/10.1021/acs.macromol.6b02632 Publication ID: 52287

Dipak Aryal, Gary Grest, Dvora Perahia, (2017). Soft nanoparticles: nano ionic networks of associated ionic polymers Nanoscale https://doi.org/10.1039/c6nr09206c Publication ID: 48191

Ting Ge, Michael Rubinstein, Gary Grest, (2017). Nanorheology of entangled polymer melts Poster Sessions 2017 – Core Programming Area at the 2017 AIChE Annual Meeting https://doi.org/10.1103/PhysRevLett.120.057801 Publication ID: 58745

Thusitha Etampawala, Dipak Aryal, Naresh Osti, Lilin He, William Heller, Carl Willis, Gary Grest, Dvora Perahia, (2016). Association of a multifunctional ionic block copolymer in a selective solvent Journal of Chemical Physics https://doi.org/10.1063/1.4967291 Publication ID: 47750

Gary Grest, (2016). Communication: Polymer entanglement dynamics: Role of attractive interactions Journal of Chemical Physics https://doi.org/10.1063/1.4964617 Publication ID: 52286

Kenneth Salerno, Anupriya Agrawal, Brandon Peters, Dvora Perahia, Gary Grest, (2016). Dynamics in entangled polyethylene melts [Multi time scale dynamics in entangled polyethylene melts] European Physical Journal. Special Topics https://doi.org/10.1140/epjst/e2016-60142-7 Publication ID: 49820

Dong Meng, Sanat Kumar, Ting Ge, Mark Robbins, Gary Grest, (2016). Crazing of nanocomposites with polymer-tethered nanoparticles Journal of Chemical Physics https://doi.org/10.1063/1.4961872 Publication ID: 50629

Shengfeng Cheng, Gary Grest, (2016). Dispersing Nanoparticles in a Polymer Film via Solvent Evaporation ACS Macro Letters https://doi.org/10.1021/acsmacrolett.6b00263 Publication ID: 50086

Gary Grest, (2016). Thrust Overview Theory & Simulation of Nanoscale Phenomena (TSNP) https://www.osti.gov/servlets/purl/1514482 Publication ID: 49819

Kenneth Salerno, Gary Grest, Dan Bolintineanu, James Lane, (2016). Influence of Nanostructure and Environment on Nanoparticle Membrane Mechanical Properties https://www.osti.gov/servlets/purl/1367044 Publication ID: 49834

Anupriya Agrawal, Dvora Perahia, Gary Grest, (2016). Cluster morphology-polymer dynamics correlations in sulfonated polystyrene melts: Computational study Physical Review Letters https://doi.org/10.1103/PhysRevLett.116.158001 Publication ID: 49204

Gary Grest, (2016). Theory and Simulation of Nanoscale Phenomena https://doi.org/10.2172/1561201 Publication ID: 49350

Sabina Maskey, Naresh Osti, Gary Grest, Dvora Perahia, (2016). Dynamics of Polydots: Soft Luminescent Polymeric Nanoparticles Macromolecules https://doi.org/10.1021/acs.macromol.5b02776 Publication ID: 48676

Gary Leuty, Mesfin Tsige, Gary Grest, Michael Rubinstein, (2016). Tension Amplification in Tethered Layers of Bottle-Brush Polymers Macromolecules https://doi.org/10.1021/acs.macromol.5b02305 Publication ID: 48659

Sabina Maskey, J. Lane, Dvora Perahia, Gary Grest, (2016). Structure of Rigid Polymers Confined to Nanoparticles: Molecular Dynamics Simulations Insight Langmuir https://doi.org/10.1021/acs.langmuir.5b04568 Publication ID: 48658

Sidath Wijesinghe, Sabina Maskey, Dvora Perahia, Gary Grest, (2016). Conformation of ionizable poly Para phenylene ethynylene in dilute solutions Journal of Polymer Science, Part B: Polymer Physics https://doi.org/10.1002/polb.23949 Publication ID: 45459

K. Salerno, Anupriya Agrawal, Dvora Perahia, Gary Grest, (2016). Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies Physical Review Letters https://doi.org/10.1103/PhysRevLett.116.058302 Publication ID: 48699

Anupriya Agrawal, Dvora Perahia, Gary Grest, (2015). Clustering effects in ionic polymers: Molecular dynamics simulations Physical Review E – Statistical, Nonlinear, and Soft Matter Physics https://doi.org/10.1103/PhysRevE.92.022601 Publication ID: 45127

K. Salerno, Dan Bolintineanu, J. Lane, Gary Grest, (2015). Ligand structure and mechanical properties of single-nanoparticle-thick membranes Physical Review E – Statistical, Nonlinear, and Soft Matter Physics https://doi.org/10.1103/PhysRevE.91.062403 Publication ID: 42183

Gary Grest, (2015). Nanoparticle Diffusion in a Polymer Matrix https://www.osti.gov/servlets/purl/1256572 Publication ID: 43838

Jagannathan Kalathi, Sanat Kumar, Michael Rubinstein, Gary Grest, (2015). Rouse mode analysis of chain relaxation in polymer nanocomposites Soft Matter https://doi.org/10.1039/c5sm00754b Publication ID: 39492

Dipak Aryal, Dvora Perahia, Gary Grest, (2015). Conformation of Single Pentablock Ionomer Chains in Dilute Solutions Sandia journal manuscript; Not yet accepted for publication https://www.osti.gov/servlets/purl/1427257 Publication ID: 42900

Dan Bolintineanu, Jeremy Lechman, Gary Grest, Leonardo Silbert, (2015). Diffusion in jammed particle packs https://www.osti.gov/servlets/purl/1240999 Publication ID: 42333

Gary Grest, Mark Stevens, Amalie Frischknecht, (2015). Nanoparticle Simulations & Theory https://www.osti.gov/servlets/purl/1238552 Publication ID: 41458

K. Salerno, Gary Grest, (2015). Temperature effects on nanostructure and mechanical properties of single-nanoparticle thick membranes Faraday Discussions https://doi.org/10.1039/C4FD00249K Publication ID: 41403

Anupriya Agrawal, Dvora Perahia, Gary Grest, (2014). Clustering Morphology in Ionic Polymers Physical Review Letters https://www.osti.gov/biblio/1185025 Publication ID: 39945

Dipak Aryal, Thusitha Etampawala, Dvora Perahia, Gary Grest, (2014). Phase behavior of a single structured ionomer chain in solutiona Macromolecular Theory and Simulations https://doi.org/10.1002/mats.201400046 Publication ID: 37517

Gary Grest, Meng. Dong, Sanat Kumar, Nathan Mahynski, Athanassios Panagiotopoulos, (2014). Equilibrium Route to Gelation in Nanoparticle/Polymer Mixtures Nature Communications https://www.osti.gov/biblio/1184586 Publication ID: 39368

Ting Ge, Gary Grest, Mark Robbins, (2014). Tensile fracture of welded polymer interfaces: Miscibility, entanglements, and crazing Macromolecules https://doi.org/10.1021/ma501473q Publication ID: 38331

Dan Bolintineanu, J. Lane, Gary Grest, (2014). Effects of functional groups and ionization on the structure of alkanethiol-coated gold nanoparticles Langmuir https://doi.org/10.1021/la502795z Publication ID: 37253

Gary Grest, (2014). Rouse mode analysis of chain relaxation in homopolymer melts Macromolecules https://doi.org/10.1021/ma500900b Publication ID: 40751

Dan Bolintineanu, Gary Grest, Jeremy Lechman, Flint Pierce, Steven Plimpton, Peter Schunk, (2014). Particle dynamics modeling methods for colloid suspensions Computational Particle Mechanics https://doi.org/10.1007/s40571-014-0007-6 Publication ID: 36804

Ting Ge, Mark Robbins, Dvora Perahia, Gary Grest, (2014). Healing of polymer interfaces: Interfacial dynamics, entanglements, and strength Physical Review E – Statistical, Nonlinear, and Soft Matter Physics https://doi.org/10.1103/PhysRevE.90.012602 Publication ID: 40347

James Lane, Dan Bolintineanu, Gary Grest, (2014). Mechanical properties of nanoparticle membranes Small https://www.osti.gov/biblio/1146683 Publication ID: 40969

Gary Grest, (2014). Association of a Multifunctional Ionic Block Copolymer in a Selective Solvent Soft Matter https://www.osti.gov/biblio/1143261 Publication ID: 40497

Gary Grest, (2014). Nano Segregation: Structured Ionomers in Solution ACS Macro Letters https://www.osti.gov/biblio/1141408 Publication ID: 40232

Gary Grest, (2014). Coarse graining atatic polystyrene and its analogues Macromolecules https://www.osti.gov/biblio/1140573 Publication ID: 36923

Kenneth Salerno, James Lane, Gary Grest, (2014). Coating thickness and coverage effects on the forces between silica nanoparticles in water Journal of Chemical Physics https://doi.org/10.1063/1.4874638 Publication ID: 37026

James Lane, Gary Grest, T. Mattsson, (2013). Hot spot and temperature analysis of shocked hydrocarbon polymer foams using molecular dynamics simulation Computational Materials Science https://doi.org/10.1016/j.commatsci.2013.06.044 Publication ID: 31237

Todd Heinrichs, Gary Grest, (2013). CINT Computer Simulation Guide for Designing Polymeric Nanoparticles Published https://www.osti.gov/servlets/purl/1673656 Publication ID: 36427

Gary Grest, (2013). Entropically-Driven Destabilization of Nanoparticle Crystals Physical Review Letters https://www.osti.gov/biblio/1116673 Publication ID: 36448

Gary Grest, (2013). Self-Healing of polymers: Interfacial dynamics entanglements and strength Journal of Chemical Physics https://www.osti.gov/biblio/1116605 Publication ID: 36449

Gary Grest, (2013). Theory & Simulation of Nanoscale Phenomena – Triennial Presentation https://www.osti.gov/servlets/purl/1109066 Publication ID: 35528

Gary Grest, (2013). Simulations of Nanoparticle Ordering in Polymers via Solvent Evaporation https://www.osti.gov/servlets/purl/1111355 Publication ID: 35811

Gary Grest, (2013). Internal Correlations and Stability of Poly-Dots Soft Conjugated Polymeric Nanoparticles ACS Macro Letters https://www.osti.gov/biblio/1106033 Publication ID: 35092

Gary Grest, (2013). Structure and Strength at Immiscible Polymer Interfaces ACS Macro Letters https://www.osti.gov/biblio/1106240 Publication ID: 35093

Gary Grest, (2013). Molecular Dynamics Simulations of a Single Pentablock Ionomer Chain in Dilute Solutions Journal of Chemical Physics https://www.osti.gov/biblio/1108193 Publication ID: 35385

James Lane, Gary Grest, (2013). Aggregation of responsively-shaped coated nanoparticles at water/vapor interfaces Small https://www.osti.gov/biblio/1107679 Publication ID: 35298

Shengfeng Cheng, Gary Grest, Mark Stevens, (2013). Molecular Dynamics simulations of Nanoparticle Organization in Polymer/Solvent Mixtures https://www.osti.gov/servlets/purl/1661544 Publication ID: 34339

Gary Grest, (2013). Coated Nanoparticles in Solution and at Interface https://www.osti.gov/servlets/purl/1661771 Publication ID: 34182

Gary Grest, (2013). Coated Nanoparticles in Solution and at Interfaces https://www.osti.gov/servlets/purl/1661772 Publication ID: 34183

Shengfeng Cheng, Gary Grest, Mark Stevens, (2013). Simulations of Nanoparticle Ordering in Polymers via Solvent Evaporation https://www.osti.gov/biblio/1072597 Publication ID: 32774

James Lane, Gary Grest, (2013). Effects of functional groups and ionization on the structure of alkanethiol coated gold nanoparticles https://www.osti.gov/servlets/purl/1145294 Publication ID: 32599

Shengfeng Cheng, Gary Grest, Mark Stevens, (2013). Simulations of nanoparticle Ordering in Polymers via Solvent Evaporation https://www.osti.gov/servlets/purl/1145222 Publication ID: 32632

Gary Grest, (2012). Viscosity of nanoconfined water between hydroxyl basal surfaces of kaolinite – classical simulation results Proposed for publication in Journal of Physical Chemistry C. https://www.osti.gov/biblio/1063484 Publication ID: 26442

Dan Bolintineanu, Gary Grest, James Lane, (2012). Effects of functional groups and ionization on the structure of alkanethiol-coated gold nanoparticles https://doi.org/10.1021/la502795z Publication ID: 30980

James Lane, Gary Grest, T. Mattsson, (2012). Classical and first-principles molecular dynamics simulation of shocked hydrocarbon polymers foams and nanocomposites https://www.osti.gov/biblio/1061163 Publication ID: 30220

Timothy Boyle, Nelson Bell, Kathleen Martin, Bryan Kaehr, C. Brinker, Cody Washburn, Michael Brumbach, Todd Alam, Timothy Lambert, James Lane, Gary Grest, Sarah Pratt, Christopher Apblett, Gregory White II, (2012). Resposive nanocomposites https://doi.org/10.2172/1055915 Publication ID: 30012

James Lane, Gary Grest, T. Mattsson, (2012). Molecular Dynamics simulation of shock-compressed hydrocarbon polymers and foams https://www.osti.gov/biblio/1064292 Publication ID: 28739

Shengfeng Cheng, Mark Stevens, Gary Grest, (2012). Evaporation-Induced Nanoparticle Assembly: Molecular Dynamics Studies https://www.osti.gov/biblio/1073424 Publication ID: 28310

James Lane, Gary Grest, T. Mattsson, (2012). Molecular dynamics simulation of shock-compressed hydrocarbon polymers and foams https://www.osti.gov/biblio/1067573 Publication ID: 28082

Shengfeng Cheng, Gary Grest, (2012). Evaporation-Induced nanoparticle Assembly: Molecular Dynamics Studies https://www.osti.gov/servlets/purl/1078488 Publication ID: 27694

Gary Grest, (2012). Dispersion of Grafted Nanoparticles in a Polymer Matrix https://www.osti.gov/biblio/1067683 Publication ID: 27561

Shengfeng Cheng, Gary Grest, (2012). Structure and Diffusion of Nanoparticle Monolayers Floating at Liquid/Vapor Interfaces: A Molecular Dynamics Study Journal of Chemical Physics https://doi.org/10.1063/1.4725543 Publication ID: 27863

Shengfeng Cheng, Gary Grest, (2012). Structure and Diffusion of Nanoparticles at the Liquid/Vapor Interface: Molecular Dynamics Simulations https://www.osti.gov/servlets/purl/1078750 Publication ID: 26851

Michael Chandross, Gary Grest, (2012). Molecular scale modeling of polymer imprint nanolithography Langmuir https://www.osti.gov/biblio/1106513 Publication ID: 24911

James Lane, Gary Grest, (2012). Effective Interactions between Grafted Nanoparticles in a Polymer Matrix Proposed for publication in Soft Matter. https://doi.org/10.1039/c2sm07395a Publication ID: 25813

Seth Root, Thomas Haill, James Lane, Aidan Thompson, Gary Grest, T. Mattsson, (2011). Shock compression of hydrocarbon foam to 200 GPa: experiments mesoscale modeling and atomistic simulations Physical Review B https://www.osti.gov/biblio/1113327 Publication ID: 25637

Peter Schunk, Gary Grest, Michael Chandross, E. Reedy, James Cox, Hongyou Fan, (2011). Nanomanufacturing : nano-structured materials made layer-by-layer https://doi.org/10.2172/1038208 Publication ID: 25119

Jeremy Lechman, Steven Plimpton, Gary Grest, (2011). Evaporation of Lennard-Jones Fluids and Evaporation-Induced Nanoparticle Assembly: Molecular Dynamics Studies https://www.osti.gov/servlets/purl/1106348 Publication ID: 24382

James Lane, Gary Grest, Aidan Thompson, Michael Desjarlais, T. Mattsson, (2011). Shock compression of dense polymer and foam systems using molecular dynamics and DFT https://www.osti.gov/servlets/purl/1140554 Publication ID: 23429

Sabina Maskey, Flint Pierce, Dvora Perahia, Gary Grest, (2011). Conformational study of a single molecule of poly para phenylene ethynylenes in dilute solutions Journal of Chemical Physics https://www.osti.gov/biblio/1121902 Publication ID: 20077

Shengfeng Cheng, Jeremy Lechman, Steven Plimpton, Gary Grest, (2011). Evaporation of Lennard-Jones fluids Journal of Chemical Physics https://doi.org/10.1063/1.3595260 Publication ID: 21506

Gary Grest, (2011). Eective Potentials between Nanoparticles in Suspension Journal of Chemical Physics https://doi.org/10.1063/1.3578181 Publication ID: 22384

Shengfeng Cheng, Jeremy Lechman, Steven Plimpton, Gary Grest, (2011). Evaporation of Lennard-Jones Fluids and Evporation-Induced Nanoparticle Assembly: Molecular Dynamics Studies https://www.osti.gov/servlets/purl/1108622 Publication ID: 22092

Gary Grest, (2011). Molecular Dynamics Simulation Study of Nonconcatenated Ring Polymers in a Melt: I. Statics Journal of Chemical Physics https://www.osti.gov/biblio/1109386 Publication ID: 21565

Gary Grest, (2011). Molecular Dynamics Simulation Study of Nonconcatenated Ring Polymers in a Melt: II. Dynamics Journal of Chemical Physics https://www.osti.gov/biblio/1140970 Publication ID: 21566

Flint Pierce, Gary Grest, (2010). Diffusion of Small Penetrant Molecules in Polybutadiene Macromolecules https://www.osti.gov/biblio/1121604 Publication ID: 20616

Gary Grest, Shengfeng Cheng, Jeremy Lechman, Steven Plimpton, (2010). Drying/self-assembly of nanoparticle suspensions https://doi.org/10.2172/993324 Publication ID: 20359

Mark Stevens, James Lane, Gary Grest, (2010). The interaction of water with self-assembled monolayers : an MD study https://www.osti.gov/biblio/1028396 Publication ID: 20405

Gary Grest, (2010). End Grafted Polymer Nanoparticles in a Polymeric Matrix: Effect of Coverage and Curvature Soft Matter https://www.osti.gov/biblio/1122343 Publication ID: 19736

James Lane, Gary Grest, (2010). Coating thickness and coverage effects on the forces between silica nanoparticles in water Langmuir https://www.osti.gov/biblio/1122175 Publication ID: 20009

N. Moore, Peter Feibelman, Gary Grest, (2010). Studies of the viscoelastic properties of water confined between surfaces of specified chemical nature https://doi.org/10.2172/990962 Publication ID: 19952

Flint Pierce, Gary Grest, (2010). Self-Healing of Polymer Films Physical Review Letters (PRL) https://www.osti.gov/biblio/1123419 Publication ID: 18795

Steven Plimpton, Peter Schunk, Jeremy Lechman, Gary Grest, Flint Pierce, Anne Grillet, (2010). Performance of mesoscale modeling methods for predicting microstructure, mobility and rheology of charged suspensions https://www.osti.gov/biblio/1020397 Publication ID: 18837

James Lane, Gary Grest, (2010). Functionalized nanoparticles in solution and at liquid/vapor interfaces Proposed for publication in Nano Letters. https://www.osti.gov/biblio/984144 Publication ID: 17360

Peter Schunk, Jeremy Lechman, Gary Grest, Steven Plimpton, Anne Grillet, Christopher Brotherton, (2009). Performance of Mesoscale Modeling Methods for Predicting Rheological Properties of charged Polystyrene/Water Suspensions https://www.osti.gov/servlets/purl/1142085 Publication ID: 16907

Gary Grest, Peter Schunk, Jeremy Lechman, E. Reedy, (2009). Sandia’s Computer Aided Engineering Approach towards Bottom-Up and Top-Down Nanomanufacturing https://www.osti.gov/servlets/purl/1142162 Publication ID: 16179

Pieter In’t Veld, Matt Petersen, Gary Grest, (2009). Shear thinning of nanoparticle suspensions Physical Review E – Statistical, Nonlinear, and Soft Matter Physics https://www.osti.gov/biblio/948656 Publication ID: 14542

Mark Stevens, James Lane, Gary Grest, Michael Chandross, (2008). Molecular dynamics simulations of water confined between matched pairs of hydrophobic and hydrophilic self-assembled monolayers Proposed for publication in Langmuir. https://www.osti.gov/biblio/970311 Publication ID: 15437

Gary Grest, William Brown, Jeremy Lechman, Matt Petersen, Steven Plimpton, Peter Schunk, (2008). Nanoparticle flow, ordering and self-assembly https://doi.org/10.2172/1028914 Publication ID: 14971

Gary Grest, (2008). Effects of Cohesion on the Surface Angle and Velocity Profiles of Granular Materials in a Rotating Drum Physical Review E https://www.osti.gov/biblio/1142694 Publication ID: 14972

Gary Grest, (2008). Liquid-liquid interfaces of semifluorinated alkane diblock copolymers with water, alkanes, and perfluorinated alkanes Proposed for publication in the Journal of Physical Chemistry B. https://www.osti.gov/biblio/947318 Publication ID: 14541

Jeremy Lechman, Gary Grest, (2008). Liquid-Vapor Coexistence for Nanoparticles of Various Size Journal of Chemical Physics https://www.osti.gov/biblio/1142896 Publication ID: 14125

Mark Stevens, Gary Grest, (2008). Simulations of water at the interface with hydrophilic self-assembled monolayers Biointerphases https://doi.org/10.1116/1.2977751 Publication ID: 14142

Gary Grest, Mark Stevens, (2008). Contribution of Plowing to Nanotribology of Self-Assembled Monolayers https://www.osti.gov/servlets/purl/1146099 Publication ID: 12899

Gary Grest, (2008). Interfacial Properties of Semifluorinated Alkane Diblock Copolymers Journal of Chemical Physics https://www.osti.gov/biblio/1145993 Publication ID: 12902

Michael Chandross, Christian Lorenz, Mark Stevens, Gary Grest, (2008). Simulations of nanotribology with realistic probe tip models Langmuir https://www.osti.gov/biblio/1147452 Publication ID: 10869

Gary Grest, (2007). Surface Tension and Surface Activity of Perflurionated Alkanes Journal of Physical Chemistry B https://www.osti.gov/biblio/1146917 Publication ID: 12248

Ahmed Ismail, Gary Grest, Mark Stevens, (2007). Interfacial Properties of Polydimethylsiloxane Water Systems https://www.osti.gov/servlets/purl/1147331 Publication ID: 12032

James Lane, Mark Stevens, Gary Grest, (2007). Water penetration of damaged self-assembled monolayers Physical review letters https://www.osti.gov/biblio/1147642 Publication ID: 11948

Gary Grest, Pieter In ‘t Veld, Jeremy Lechman, (2007). Molecular Simulations of Nanoparticles in an ExplicitSolvent https://www.osti.gov/servlets/purl/1146784 Publication ID: 11859

Gary Grest, (2007). Nanoparticle Flow Ordering and Self-Assembly https://www.osti.gov/servlets/purl/1716671 Publication ID: 11318

Ahmed Ismail, Pieter In ‘t Veld, Gary Grest, (2007). Surface Tension in Normal Alkanes Molecular Physics https://doi.org/10.1080/00268970701779663 Publication ID: 11450

Gary Grest, (2007). Structure of Poly(dialkylsiloxane) Melts:  Comparisons of Wide-Angle X-ray Scattering, Molecular Dynamics Simulations, and Integral Equation Theory Macromolecules https://doi.org/10.1021/ma0702290 Publication ID: 9225

Pieter In ‘t Veld, Ahmed Ismail, Gary Grest, (2007). Application of Ewald summation to long-range dispersion forces https://doi.org/10.1063/1.2770730 Publication ID: 11087

Ahmed Ismail, Gary Grest, Mark Stevens, (2007). Structure and dynamics of water near the interface with oligo(ethylene oxide) self-assembled monolayers Langmuir https://doi.org/10.1021/la700829r Publication ID: 9043

James Lane, Michael Chandross, Mark Stevens, Gary Grest, (2007). Water in nano-confinement between hydrophilic self-assembled monolayers Physical Review Letters https://www.osti.gov/biblio/1148025 Publication ID: 10782

Gary Grest, (2007). Relationship between Interparticle contact lifetimes and rheology in gravity driven granular flows Physical Review E https://www.osti.gov/biblio/1147495 Publication ID: 10783

Gary Grest, (2007). Entanglements of an End-Grafted Polymer Brush in a Polymeric Matrix Macromolecules https://www.osti.gov/biblio/1147996 Publication ID: 9738

Mark Horsch, Gary Grest, Pieter In ‘t Veld, (2007). Copy of Hydrodynamics and Flow solver: Requirements and Options https://www.osti.gov/servlets/purl/1724143 Publication ID: 9819

Ahmed Ismail, Gary Grest, Mark Stevens, (2007). Structure and dynamics of water near the interface with oligo(ethylene oxide) self-assembled monolayers https://www.osti.gov/biblio/903170 Publication ID: 8980

Gary Grest, John Emerson, Anne Grillet, Carlton Brooks, Philip Sackinger, Edmund Webb, (2007). Elucidating the Mysteries of Wetting https://www.osti.gov/servlets/purl/1724545 Publication ID: 8747

Pieter In ‘t Veld, Ahmed Ismail, Gary Grest, (2007). Application of Ewald Summation to Long-Range Dispersion Forces Journal of Chemical Physics https://doi.org/10.1063/1.2770730 Publication ID: 9589

Ahmed Ismail, Gary Grest, Mark Stevens, (2006). Capillary waves at the liquid-water interface and the surface tension of water https://www.osti.gov/servlets/purl/1264053 Publication ID: 8304

Paul Crozier, Gary Grest, Ahmed Ismail, Richard Lehoucq, Steven Plimpton, Mark Stevens, (2006). Substructured multibody molecular dynamics https://doi.org/10.2172/902881 Publication ID: 8372

Ahmed Ismail, Gary Grest, Mark Stevens, (2006). Interfacial Properties of PDMS-Water Systems https://www.osti.gov/servlets/purl/1264508 Publication ID: 8393

Jeremy Lechman, Gary Grest, (2006). Assessing a Continuum Despcription of Wide Shear Zones in Slow Granular Flow by Discrete Element Simulations https://www.osti.gov/servlets/purl/1264010 Publication ID: 8396

Jeremy Lechman, Gary Grest, (2006). Coupled discrete-time immersed boundary-discrete element method for multiphase flow https://www.osti.gov/servlets/purl/1264110 Publication ID: 8414

Jeremy Lechman, Gary Grest, Lisa Mondy, (2006). Flow of concentrated nanoparticle suspension: Multiscale modeling challenges https://www.osti.gov/servlets/purl/1264294 Publication ID: 8051

Chi Lo, Aidan Thompson, Gary Grest, (2006). Report on ASC project degradation of organic materials https://doi.org/10.2172/893971 Publication ID: 7951

Joanne Budzien, Chi Lo, Gary Grest, Aidan Thompson, (2006). ASC Level II Milestone: Chemical Aging of Organic Materials https://www.osti.gov/servlets/purl/1725743 Publication ID: 7900

Ahmed Ismail, Gary Grest, Mark Stevens, (2006). Structure and dynamics of water at the interface with poly(ethylene glycol) self-assembled monolayers https://www.osti.gov/biblio/893132 Publication ID: 7581

Carlton Brooks, Benjamin Ash, John Emerson, Philip Sackinger, Gary Grest, Anne Grillet, (2006). Multi-Component Wetting https://www.osti.gov/servlets/purl/1725963 Publication ID: 7428

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October 13, 2022