This page lists papers that include results from LAMMPS simulations. This includes work with earlier codes like ParaDyn and GranFlow whose functionality is now incorporated into LAMMPS. Papers that describe the algorithms in LAMMPS are listed here.
If you send email to (sjplimp, pscrozi, athomps at sandia.gov) with information about a paper that used results from any version of LAMMPS or our older parallel MD codes (ParaDyn, Warp, GranFlow), we'll be pleased to list it here. Pictures or animations from your simulations/papers can also be added to the Pictures or Movies pages.
Liquid crystal nanodroplets in solution, W. M. Brown, M. K. Petersen, S. J. Plimpton, and G. S. Grest, J Chem Phys, 130, 044901 (2009). (abstract)
Polyelectrolyte-Macroion Complexation in 1:1 and 3:1 Salt Contents: A Brownian Dynamics Study, J. Yang, R. Ni, D. Cao, W. Wang, J Phys Chem B, 112, 16505 (2008). (abstract)
Molecular dynamics study of liquid metal infiltration during brazing, E. B. Webb III and J. J. Hoyt, Acta Materialia, 56, 1802-1812 (2008). (abstract)
Recent advances in single-asperity nanotribology, I. Szlufarska, M. Chandross, R. W. Carpick, J Physics D - Applied Physics, 41, 123001 (2008). (abstract)
Cavitation in liquid metals under negative pressures. Molecular dynamics modeling and simulation, T. T. Bazhirov, G. E. Norman, and V. V. Stegailov, J Phys - Condensed Matter, 20, 114113:1-11 (2008). (abstract)
Molecular-dynamics simulation of edge-dislocation dynamics in aluminum, A. Y. Kuksin, V. V. Stegailov, and A. V. Yanilkin, Doklady Physics, 53, 287-291 (2008). (abstract)
Connectivity and Entanglement Stress Contributions in Strained Polymer Networks, C. Svaneborg, R. Everaers, G. S. Grest, J. G. Curro, Macromolecules, 41, 4920-4928 (2008). (abstract)
Surface tension and surface orientation of perfluorinated alkanes, M. Tsige and G. S. Grest, J Phys Chem C, 112, 5029-5035 (2008). (abstract)
Viscoelasticity and Primitive Path Analysis of Entangled Polymer Liquids: from f-actin to Polyethylene, N. Uchida, G. S. Grest, and R. Everaers, J Chem Phys, 128, 044902 (2008). (abstract)
Simulations of water at the interface with hydrophilic self-assembled monolayers, M. J. Stevens and G. S. Grest, Biointerphases, 3, FC13-FC22 (2008). (abstract)
Water Penetration of Damaged Self-Assembled Monolayers, J. M. D. Lane, M. Chandross, C. D. Lorenz, M. J. Stevens, G. S. Grest, Langmuir, 24, 5734 (2008). (abstract)
Water in Nano-confinement between Hydrophilic Self-Assembled Monolayers, J. M. D. Lane, M. Chandross, M. J. Stevens, G. S. Grest, Langmuir, 24, 5209 (2008). (abstract)
Simulation of the Mechanical Strength of a Single Collagen Molecule, P. J. in 't Veld and M. J. Stevens, Biophysical Journal, 95, 33 (2008). (abstract)
Simulations of Nanotribology with Realistic Probe Tip Models, M. Chandross, C. D. Lorenz, M. J. Stevens, G. S. Grest, Langmuir, 24, 1240 (2008). (abstract)
An embedded-atom method interatomic potential for Pd-H alloys, X. W. Zhou, J. A. Zimmerman, B. M. Wong, J. J. Hoyt, Journal of Materials Research, 23, 704-718 (2008). (abstract)
Reconsideration of Continuum Thermomechanical Quantities in Atomic Scale Simulations, E. B. Webb III, J. A. Zimmerman, S. C. Seel, Mathematics and Mechanics of Solids, 13, 221-266 (2008). (abstract)
Molecular dynamics simulation based cohesive zone representation of mixed mode fracture, X. W. Zhou, J. A. Zimmerman, E. D. Reedy Jr, N. R. Moody, Mechanics of Materials, 40, 832-845 (2008). (abstract)
Probing Peptide Nanotube Self-Assembly at a Liquid-Liquid Interface with Coarse-Grained Molecular Dynamics, E. Khurana, R. H. DeVane, A. Kohlmeyer, M. L. Klein, NanoLetters, 8, 3626-3630 (2008). (abstract)
Coarse-grained molecular modeling of non-ionic surfactant self-assembly, W. Shinoda, R. H. DeVane, M. L. Klein, Soft Matter, 4, 2453-2462 (2008). (abstract)
Relationship between interparticle contact lifetimes and rheology in gravity-driven granular flows, R. Brewster, L. E. Silbert, G. S. Grest, A. J. Levine, Phys Rev E, 77, 061302 (2008). (abstract)
Liquid-Liquid Interfaces of Semifluorinated Alkane Diblock Copolymers with Water, Alkanes, and Perfluorinated Alkanes, F. Pierce, M. Tsige, D. Perahia, G. S. Grest, J Phys Chem B, 112, 16012 (2008). (abstract)
Packing of poly(tetrafluoroethylene) in the liquid state: Molecular dynamics simulation and theory, M. Tsige, J. G. Curro, G. S. Grest, J Chem Phys, 129, 214901 (2008). (abstract)
Interfacial properties of semifluorinated alkane diblock copolymers, F. Pierce, M. Tsige, O. Borodin, D. Perahia, G. S. Grest, J Chem Phys, 128, 214903 (2008). (abstract)
Liquid-vapor coexistence for nanoparticles of various size, P. J. in ' t Veld, M. A. Horsch, J. B. Lechman, G. S. Grest, J Chem Phys, 129, 164504 (2008). (abstract)
A Molecular Dynamics Study of Epoxy-Based Networks: Cross-Linking Procedure and Prediction of Molecular and Material Properties, V. Varshney, S. S. Patnaik, A. K. Roy, B. L. Farmer, Macromolecules, 41, 6837-6842 (2008). (abstract)
Effect of the Bridging Conformation of Polyelectrolytes on the Static and Dynamic Behavior of Macroions, Y. Hu, R. Ni, D. Cao, W. Wang, Langmuir, 24, 10138-10144 (2008). (abstract)
Molecular dynamics simulations of the Debye-Waller effect in shocked copper, W. J. Murphy, A. Higginbotham, J. S. Wark, N. Park, Phys Rev B, 78, 014109 (2008). (abstract)
Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems, M. L. Klein and W. Shinoda, Science, 321, 798-800 (2008). (abstract)
Rheological study of polymer flow past rough surfaces with slip boundary conditions, A. Niavarani and N. V. Priezjev, J Chem Phys, 129, 144902 (2008). (abstract)
Void growth in metals: Atomistic calculations, S. Traiviratana, E. M. Bringa, D. J. Benson, M. A. Meyers, Acta Materialia, 56, 3874-3886 (2008). (abstract)
Formation of stable ultra-thin pentagon Cu nanowires under high strain rate loading, V. K. Sutrakar and D. R. Mahapatra, J Physics - Condensed Matter, 20, 335206 (2008). (abstract)
Influence of single crystal orientation on homogeneous dislocation nucleation under uniaxial loading, M. A. Tschopp, D. L. McDowell, J of Mechanics and Physics of Solids, 56, 1806-1830 (2008). (abstract)
Grain boundary dislocation sources in nanocrystalline copper, M. A. Tschopp, D. L. McDowell, Scripta Materialia, 58, 299-302 (2008). (abstract)
Dislocation nucleation in 3 asymmetric tilt grain boundaries, M. A. Tschopp, D. L. McDowell, Intl Journal of Plasticity, 24, 191-217 (2008). (abstract)
Meta-Stability of Multi-Twinned Ag Nanorods, J. Monk, J.J. Hoyt, and D. Farkas, Physical Review B, 78, 024112 (2008). (abstract)
Strain-Driven Grain Boundary Motion in Nanocrystalline Materials, D. Farkas, S. Mohanty, and J. Monk, Mat Sci and Engr A, 493, 33-40 (2008). (abstract)
Sample shape and temperature strongly influence the yield strenght of metallic nanopillars, A. Cao and E. Ma, Acta Materialia, 56, 4816-4828 (2008). (abstract)
High Thermal Conductivity of Single Polyethylene Chains Using Molecular Dynamics Simulations, A. Henry and G. Chen, Phys Rev Lett, 101, 235502 (2008). (abstract)
Substructured molecular dynamics using multibody dynamics algorithms, R. M. Mukherjee, P. S. Crozier, S. J. Plimpton, K. S. Anderson, Intl J of Non-Linear Mechanics, 43, 1045-1055 (2008). (abstract)
Implementing peridynamics within a molecular dynamics code, M. L. Parks, R. B. Lehoucq, S. J. Plimpton, S. A. Silling, Comp Phys Comm, 179, 777-783 (2008). (abstract)
Atomistic calculations of interface elastic properties in noncoherent metallic bilayers, C. Mi, S. Jun, D. A. Kouris, and S. Y. Kim, Phys Rev B, 77, 075425 (2008). (abstract)
Conformation of a Spherical Polyelectrolyte Brush in the Presence of Oppositely Charged Linear Polyelectrolytes, R. Ni, D. Cao, W. Wang, and A. Jusufi, Macromolecules, 41, 5477-5484 (2008). (abstract)
Polymer chain generation for coarse-grained models using radical-like polymerization, M. Perez, O. Lame, F. Leonforte and J.-L. Barrat, J Chem Phys, 128, 234904:1-11 (2008). (abstract)
Accurate and Efficient Methods for Modeling Colloidal Mixtures in an Explicit Solvent using Molecular Dynamics, P. J. in 't Veld, S. J. Plimpton, G. S. Grest, Comp Phys Comm, 179, 320-329 (2008). (abstract)
Self-assembled ordered polymer nanocomposites directed by attractive particles, C. D. Knorowski, J. A. Anderson and A. Travesset, J Chem Phys, 128, 164903 (2008). (abstract)
Micellar Crystals in Solution from Molecular Dynamics Simulations, J. A. Anderson, C. D. Lorenz and A. Travesset, J Chem Phys, 128, 184906 (2008). (abstract)
Hydrogen Bonding and the Binding of Polybasic Residues with Negatively Charged Mixed Lipid Monolayers, C. D. Lorenz, J. Faraudo and A. Travesset, Langmuir, 24, 1654 (2008). (abstract)
Computer simulation study of the structural stability and materials properties of DNA-intercalated layered double hydroxides, M. A. Thyveetil, P. V. Coveney, H. C. Greenwell, J. L. Suter, J Amer Chem Soc, 130, 4742-4756 (2008). (abstract)
Strain hardening of polymer glasses: Entanglements, energetics, and plasticity, R. S. Hoy and M. O. Robbins, Phys Rev E, 77, 031801 (2008). (abstract)
Molecular dynamics study on nanoparticle diffusion in polymer melts: A test of the Stokes-Einstein law, J. Liu, D. P. Cao, and L. Q. Zhang, J Phys Chem C, 112, 6653-6661 (2008). (abstract)
Grain boundary effects on plastic deformation and fracture mechanisms in Cu nanowires: Molecular dynamics simulations, A. Cao, Y. Wei, and E. Ma, Phys Rev B, 77, 195429 (2008). (abstract)
Alternating Starvation of Dislocations during Plastic Yielding in Metallic Nanowires, A. Cao, Y. Wei, and S. Mao, Scripta Mater, 59, 219 (2008). (abstract)
Melting and vaporization of Cu and Ni films during electron-beam heating, J. A. Sanchez and M. P. Menguc, J Appl Phys, 103, 054316 (2008). (abstract)
Atomistic study of nanoprecipitates influence on plasticity and fracture of crystalline metals, V. V. Stegailov, A. Yu. Kuksin, G. E. Norman, and A. V. Yanilkin, AIP Conf Proc "Shock Compression of Condensed Matter - 2007", 955, 339-342 (2007). (abstract)
Structural transformations in single-crystal iron during shock-wave compression and tension: Molecular dynamics simulation, V. V. Stegailov and A. V. Yanilkin, J of Expt and Theoretical Physics, 104, 928-935 (2007). (abstract)
Surface melting of superheated crystals. Atomistic simulation study, A. Y. Kuksin, G. E. Norman, V. V. Stegailov, and A. V. Yanilkin, Comp Phys Comm, 177, 34-37 (2007). (abstract)
Shear faults in a model brittle solid, C. E. Maloney and M. O. Robbins, Chaos, 17, 041105 (2007). (abstract)
Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants, W. Shinoda, R. H. DeVane, M. L. Klein, Molecular Simulation, 33, 27-36 (2007). (abstract)
Rheology and Contact Lifetimes in Dense Granular Flows, L. E. Silbert, G. S. Grest, R. Brewster, A. J. Levine, Phys Rev Lett, 99, 068002 (2007). (abstract)
Atomistic simulations of homogeneous dislocation nucleation in single crystal copper, M. A. Tschopp, D. E. Spearot, D. L. McDowell, Modelling and Simulation in Materials Sci and Engr, 15, 693-709 (2007). (abstract)
Asymmetric tilt grain boundary structure and energy in copper and aluminum, M. A. Tschopp, D. L. McDowell, Philosophical Magazine, 87, 3871-3892 (2007). (abstract)
Structural unit and faceting description of 3 asymmetric tilt grain boundaries, M. A. Tschopp, D. L. McDowell, J of Materials Science, 42, 7806-7811 (2007). (abstract)
Structures and energies of 3 asymmetric tilt grain boundaries in Cu and Al, M. A. Tschopp, D. L. McDowell, Philosophical Magazine, 87, 3147-3173 (2007). (abstract)
Structure and free volume of 110 symmetric tilt grain boundaries with the E structural unit, M. A. Tschopp, G. J. Tucker, D. L. McDowell, Acta Materialia, 55, 3959-3969 (2007). (abstract)
Tension-compression asymmetry in homogeneous dislocation nucleation in single crystal copper, M. A. Tschopp, D. L. McDowell, Appl Phys Lett, 90, 121916:1-3 (2007). (abstract)
Tensile strength of 100 and 110 tilt bicrystal copper interfaces, D. E. Spearot, M. A. Tschopp, K. I. Jacob, D. L. McDowell, Acta Materialia, 55, 705-714 (2007). (abstract)
Application of Ewald summations to long-range dispersion forces, P. J. in 't Veld, A. E. Ismail, and G. S. Grest, J Chem Phys, 127, 144711 (2007). (abstract)
Linear Grain Growth Kinetics and Rotation in Nanocrystalline Ni, D. Farkas, S. Mohanty, and J. Monk, Phys Rev Lett, 98, 165502 (2007). (abstract)
Tension-Compression Asymmetry and Size Effects in Nanocrystalline Ni Nanowires, J. Monk and D. Farkas, Philosophical Magazine, 87, 2233-2244 (2007). (abstract)
Strain-Induced Grain Growth and Rotation in Nickel Nanowires, J. Monk and D. Farkas, Physical Review B, 75, 045414 (2007). (abstract)
Charge inversion of divalent ionic solutions in silica channels, C. D. Lorenz and A. Travesset, Phys Rev E, 75, 061202 (2007). (abstract)
Conformation and Dynamics of Arylthiol Self-Assembled Monolayers on Au(111), T. E. Dirama and J. A. Johnson, Langmuir, 23(24), 12208-12216 (2007). (abstract)
Surface Tension of Normal and Branched Alkanes, A. E. Ismail, M. Tsige, P. J. in 't Veld, and G. S. Grest, Mol Phys, 105, 3155 (2007). (abstract)
Phase-change phenomena during electron-beam heating: Molecular dynamics simulations, J. A. Sanchez and M. P. Menguc, Phys Rev B, 76, 224104 (2007). (abstract)
Thin film compressive stresses due to adatom insertion into grain boundaries, C. W. Pao, S. M. Foiles, E. B. Webb, D. J. Srolovitz, J. A. Floro, Phys Rev Lett. 99, 036102 (2007). (abstract)
Molecular dynamics simulation of Ga penetration along grain boundaries in Al: a dislocation climb mechanism, H.-S. Nam and D. J. Srolovitz, Phys Rev Lett, 99, 025501 (2007). (abstract)
Molecular dynamics simulation of Ga penetration along 5 symmetric tilt grain boundaries in an Al bicrystal, H.-S. Nam and D. J. Srolovitz, Phys Rev B, 76, 184114 (2007). (abstract)
Molecular dynamics simulation of plastic deformation of nanotwinned copper, A. J. Cao and Y. G. Wei, J Appl Phys, 102, 083511 (2007). (abstract)
How a small change in retinal leads to G-protein activation: Initial events suggested by molecular dynamics calculations, P. S. Crozier and M. J. Stevens and T. B. Woolf, Proteins: Structure Function and Bioinformatics, 66, 559-574 (2007). (abstract)
Rheology and contact lifetimes in dense granular flows, L. E. Silbert and G. S. Grest and R. Brewster and A. J. Levine, Phys Rev Lett, 99, 068002 (2007). (abstract)
Atomistic underpinnings for orientation selection in alloy dendritic growth, C. A. Becker, D. Olmsted, M. Asta, J. J. Hoyt, S. M. Foiles, Phys Rev Lett, 98, 125701 (2007). (abstract)
Atomistic simulations of crack nucleation and intergranular fracture in bulk nanocrystalline nickel, A. Cao and Y. Wei, Physical Review B, 76, 24113-5 (2007). (abstract)
Molecular dynamics simulations of polymer networks undergoing sequential cross-linking and scission reactions, D. R. Rottach and J. G. Curro and J. Budzien and G. S. Grest and C. Svaneborg and R. Everaers, Macromolecules, 40, 131-139 (2007). (abstract)
Structure of poly(dialkylsiloxane) melts: Comparisons of wide-angle X-ray scattering, molecular dynamics simulations, and integral equation theory, A. Habenschuss and M. Tsige and J. G. Curro and G. S. Grest and S. K. Nath, Macromolecules, 40, 7036-7043 (2007). (abstract)
Structure and dynamics of water near the interface with oligo(ethylene oxide) self-assembled monolayers, A. E. Ismail and G. S. Grest and M. J. Stevens, Langmuir, 23, 8508-8514 (2007). (abstract)
Application of Ewald summations to long-range dispersion forces, P. J. in't Veld and A. E. Ismail and G. S. Grest, J Chem Phys, 127, 144711 (2007). (abstract)
Stresses in smooth flows of dense granular media, M. Depken and J. B. Lechman and M. Van Hecke and W. Van Saarloos and G. S. Grest, Europhysics Letters, 78, 58001 (2007). (abstract)
Molecular flexibility effects upon liquid dynamics, J. V. Heffernan, J. Budzien, A. T. Wilson, R. J. Baca, V. J. Aston, F. Avila, J. D. Mccoy, D. B. Adolf, J Chemical Physics, 126, 184904 (2007). (abstract)
Conformation and Dynamics of Arylthiol Self-Assembled Monolayers on Au(111), T. E. Dirama and J. A. Johnson, Langmuir, 23, 12208-12216, (2007). (abstract)
Strengthening in gold nanopillars with nanoscale twins, K. A. Afanasyev and F. Sansoz, Nano Letters, 7, 2056-2062 (2007). (abstract)
Structure and dynamics of water on aqueous barium ion and the (001) barite surface, A. G. Stack and J. R. Rustad, J Phys Chem C, 111, 16387-16391 (2007). (abstract)
Molecular Dynamics Simulations of Polyelectrolyte Brushes: From Single Chains to Bundles of Chains, D. J. Sandberg, J.-M. Y. Carrillo and A. V. Dobrynin, Langmuir, 23, 12716-12728 (2007). (abstract)
Emergence of undulations and determination of materials properties in large-scale molecular dynamics simulation of layered double hydroxides, M. A. Thyveetil, P. V. Coveney, J. L. Suter, H. C. Greenwell, Chemistry of Materials, 19, 5510-5523 (2007). (abstract)
Vitrification of a monatomic metallic liquid, M. H. Bhat, V. Molinero, E. Soignard, V. C. Solomon, S. Sastry, J. L. Yarger, C. A. Angell, Nature, 448, 787-90 (2007). (abstract)
Nanoscale Organization in Room Temperature Ionic Liquids: A Coarse Grained Molecular Dynamics Simulation Study, B. L. Bhargava, R. Devane, M. L. Klein and S. Balasubramanian, Soft Matter, 3, 1395-1400 (2007). (abstract)
Entanglements of an End-Grafted Polymer Brush in a Polymeric Matrix, R. S. Hoy and G. S. Grest, Macromolecules, 40, 8389-8395 (2007). (abstract)
Strain Hardening in Polymer Glasses: Limitations of Network Models, R. S. Hoy and M. O. Robbins, Phys Rev Lett, 99, 117801 (2007). (abstract)
Shock Compression of Monocrystalline Copper: Atomistic Simulations, B. Cao, E. M. Bringa, and M. A. Meyers, Metallurgical and Materials Transactions A, Physical Metallurgy and Materials Science, 2007. (abstract)
Annealing twins in nanocrystalline fcc metals: A molecular dynamics simulation, D. Farkas, E. Bringa, and A. Caro, Physical Review B, 75, 184111-1-5 (2007). (abstract)
On the role of defects on the uniaxial deformation of silver shape memory nanowires, C. Ji and H. S. Park, Journal of Computational and Theoretical Nanoscience, 4, 578-587 (2007). (abstract)
Characterizing the elasticity of hollow metal nanowires, C. Ji and H. S. Park, Nanotechnology, 18, 115707 (2007). (abstract)
Molecular dynamics simulations of stretched gold nanowires - the relative utility of different semiempirical potentials, Q. Pu, Y. Leng, L. Tsetseris, H. S. Park, S. T. Pantelides and P. T. Cummings, Journal of Chemical Physics, 126, 144707 (2007). (abstract)
Surface composition effects on stress- induced martensitic phase transformations in nickel aluminum nanowires, H. S. Park and V. Laohom, Philosophical Magazine, 87, 2159-2168 (2007). (abstract)
The coupled effects of geometry and surface orientation on the mechanical properties of metal nanowires, C. Ji and H. S. Park, Nanotechnology, 18, 305704 (2007). (abstract)
Molecular Dynamics Modeling of Ion Adsorption to the Basal Surfaces of Kaolinite, I. F. Vasconcelos, B. A. Bunker, and R. T. Cygan, J Phys Chem C, 111, 6753 (2007). (abstract)
Large-scale molecular dynamics study of montmorillonite clay: Emergence of undulatory fluctuations and determination of material properties, J. L. Suter, P. V. Coveney, H. C. Greenwell, and M. A. Thyveetil, J Physical Chemistry C, 111, 8248-8259 (2007). (abstract)
Slip length and contact angle over hydrophobic surfaces, R. S. Voronov, D. V. Papavassiliou, and L. L. Lee, Chem Phys Lett, 441, 273-276 (2007). (abstract)
Molecular Dynamics Simulations of Polyelectrolyte Adsorption, J.-M. Y. Carrillo and A. V. Dobrynin, Langmuir, 23, 2472-2482, (2007). (abstract)
Deformation mechanisms of face-centered-cubic metal nanowires with twin boundaries, A. J. Cao, Y. G. Wei, and S. X. Mao, Applied Physics Letters, 90, 151909 (2007). (abstract)
The application hosting environment: Lightweight middleware for grid-based computational science, P. V. Coveney, R. S. Saksena, S. J. Zasada, M. McKeown, and S. Pickles, Comp Phys Comm, 176, 406-418 (2007). (abstract)
Structures and Transport Properties of Hydrated Water-Soluble Dendrimer-Grafted Polymer Membranes for Application to Polymer Electrolyte Membrane Fuel Cells: Classical Molecular Dynamics Approach, S. S. Jang, and W. A. Goddard III, J Phys Chem C, 111, 2759 (2007). (abstract)
Mechanical and Transport Properties of Poly (Ethylene Oxide) - Poly (Acrylic Acid) Double Network Hydrogel: Molecular Dynamic Simulation Approach, S. S. Jang, W. A. Goddard III, and Y. Kalani, J Phys Chem B, 111, 1729 (2007). (abstract)
Molecular Dynamics Simulations of Polyampholyte-Polyelectrolyte Complexes. Effect of Solvent Quality and Salt Concentration, J. Jeon and A. V. Dobrynin, J Phys Chem B, 110, 24652-24665 (2006). (abstract)
Analysis of granular flow in a pebble-bed nuclear reactor, C. H. Rycroft and G. S. Grest and J. W. Landry and M. Z. Bazant, Phys Rev E, 74, 021306 (2006). (abstract)
Dynamics of random packings in granular flow, C. H. Rycroft and M. Z. Bazant and G. S. Grest and J. W. Landry, Phys Rev E, 73, 051306 (2006). (abstract)
Velocity correlations in dense gravity-driven granular chute flow, O. Baran and D. Ertas and T. C. Halsey and G. S. Grest and J. B. Lechman, Phys Rev E, 74, 051302 (2006). (abstract)
Modeling metallic island coalescence stress via adhesive contact between surfaces, S. C. Seel, J. J. Hoyt, E. B. Webb, J. A. Zimmerman, Phys Rev B, 73, 245402 (2006). (abstract)
Stacked, folded, and bent lipid membranes, D. Y. Sasaki and M. J. Stevens, MRS Bulletin, 31, 521-6 (2006). (abstract)
Permanent set of cross-linking networks: Comparison of theory with molecular dynamics simulations, D. R. Rottach and J. G. Curro and J. Budzien and G. S. Grest and C. Svaneborg and R. Everaers, Macromolecules, 39, 5521-5530 (2006). (abstract)
Computation of grain boundary stiffness and mobility from boundary fluctuations, S. M. Foiles and J. J. Hoyt, Acta Materialia, 54, 3351-7 (2006). (abstract)
Atomistic simulations of the yielding of gold nanowires, J. K. Diao and K. Gall and M. L. Dunn and J. A. Zimmerman, Acta Materialia, 54, 643-653 (2006). (abstract)
Salt-induced collapse and reexpansion of highly charged flexible polyelectrolytes, P. Y. Hsiao and E. Luijten, Phys Rev Lett, 97, 148301 (2006). (abstract)
Chain morphology, swelling exponent, persistence length, like-charge attraction, and charge distribution around a chain in polyelectrolyte solutions: effects of salt concentration and ion size studied by molecular dynamics simulations, P. Y. Hsiao, Macromolecules, 39, 7125-7137 (2006). (abstract)
Linear polyelectrolytes in tetravalent salt solutions, P. Y. Hsiao, J Chem Phys, 124, 044904 (2006). (abstract)
Strain hardening of polymer glasses: Effect of entanglement density, temperature, and rate, R. S. Hoy and M. O. Robbins, J Polymer Science B, 44, 3487-3500 (2006). (abstract)
Dynamics and structures of segregation in a dense, vibrating granular bed, J. Sun, F. Battaglia, and S. Subramaniam, Phys Rev E, 74 061307. (2006). (abstract)
Formation of Fivefold Deformation Twins in Nanocrystalline Face-Centered-Cubic Copper Based on Molecular Dynamics Simulations, A. J. Cao and Y. G. Wei, Applied Physics Lett, 89, 041919 (2006). (abstract)
Atomistic simulations of the mechanical behavior of fivefold twinned nanowires, A. J. Cao and Y. G. Wei, Phys Rev B, 74, 214108 (2006). (abstract)
Liquid nanodroplets spreading on chemically patterned surfaces, G. S. Grest, D. R. Heine, and E. B. Webb III, Langmuir, 22, 4745-4749 (2006). (abstract)
Geometric Effects on the Inelastic Deformation of Metal Nanowires, C. Ji and H. S. Park, Applied Physics Lett 89, 181916 (2006). (abstract)
A Thermodynamic Understanding of Clay-Swelling Inhibition by Potassium Ions, X. Liu and X. Lu, Angewandte Chemie International Edition, 45, 6300-6303 (2006). (abstract)
Development of intermolecular potentials for predicting transport properties of hydrocarbons, P. A. Gordon, J Chem Phys, 125, 014504/1-014504/9 (2006). (abstract)
Effect of Terminal Group Modification on the Solution Properties of Dendrimers: A Molecular Dynamics Simulation Study, N. W. Suek and M. H. Lamm, Macromolecules, 39, 4247-4255 (2006). (abstract)
Capillary Waves at the Liquid-Vapor Interface and the Surface Tension of Water, A. E. Ismail, G. S. Grest, and M. J. Stevens, J Chem Phys, 125, 014702 (2006). (abstract)
Deformation of FCC Nanowires by Twinning and Slip, H. S. Park, K. Gall, J. A. Zimmerman, Journal of the Mechanics and Physics of Solids, 54, 1862-1881 (2006). (abstract)
Boundary Slip and Wetting Properties of Interfaces: Correlation of the Contact Angle with the Slip Length, R. S. Voronov, D. V. Papavassiliou, and L. L. Lee, J Chem Phys, 124, 204701 (2006). (abstract)
On the Thermomechanical Deformation of Silver Shape Memory Nanowires, H. S. Park and C. Ji, Acta Materiala 54, 2645-2654 (2006). (abstract)
Stress-Induced Martensitic Phase Transformation in Intermetallic Nickel Aluminum Nanowires, H. S. Park, Nano Letters, 6, 958-962 (2006). (abstract)
Structures and Properties of Newton Black Films Characterized Using Molecular Dynamics Simulations, S. S. Jang and W. A. Goddard III, J Phys Chem B, 110, 7992-8001 (2006). (abstract)
Atomistic Simulations Reveal Shape Memory of fcc Metal Nanowires W. W. Liang and M. Zhou, Phys Rev B, 73, 115409 (2006). (abstract)
Computing the Mobility of Grain Boundaries, K. G. F. Janssens, D. Olmsted, E.A. Holm, S. M. Foiles, S. J. Plimpton, and P. M. Derlet, Nature Materials, 5, 124-127 (2006). (abstract)
Atomistic Simulations of Spinodal Phase Separation Preceding Polymer Crystallization, R. H. Gee, N. Lacevic, and L. E. Fried, Nature Materials, 5, 39-43 (2006). (abstract)
Stable Nanobridge Formation in <110> Gold Nanowires Under Tensile Deformation, H. S. Park and J. A. Zimmerman, Scripta Materialia, 54, 1127-1132 (2006). (abstract)
Three-dimensional Shear in Granular Flow, X. Cheng, J. B. Lechman, A. Fernandez-Barbero, G. S. Grest, H. M. Jaeger, G. S. Karczmar, M. E. Mobius, S. R. Nagel, Phys Rev Lett, 96, 038001 (2006). (abstract)
High temperature wetting: Insights from atomistic simulations, E. B. Webb, J. J. Hoyt, G. S. Grest, Current Opinion in Solid State & Materials Science, 9, 174-80 (2005). (abstract)
Extrapolation of Rheological Properties for Lubricant Components with Stokes-Einstein Relationships, P. A. Gordon, Industrial and Engineering Chemistry Research, 44, 5828-5835, (2005). (abstract)
An Atomistic Investigation of Elastic and Plastic Properties of Au Nanowires, B. Hyde, H. D. Espinosa, and D. Farkas, J Minerals, Metals, and Materials (JOM), 57, 62-66 (2005). (abstract)
Nanotribology of Anti-Friction Coatings in MEMS, M. Chandross, C. D. Lorenz, G. S. Grest, M. J. Stevens, and E. B. Webb III, J Minerals, Metals, and Materials (JOM), 57, 55 (2005). (abstract)
Nucleation of dislocations from 001 bicrystal interfaces in aluminum, D. E. Spearot, K. I. Jacob, D. L. McDowell, Acta Materiala 53, 3579-3589 (2005). (abstract)
Shape memory effect in Cu nanowires, W. W. Liang, M. Zhou, and F. J. Ke, Nano Letters, 5, 2039-2043 (2005). (abstract)
Plug Flow and the Breakdown of Bagnold Scaling in Cohesive Granular Flows, R. Brewster, G. S. Grest, J. W. Landry, and A. J. Levine, Phys Rev E, 72, 061301 (2005). (abstract)
Discrete Element Simulations of Dense Granular Flow in a Modified Couette Cell, J. B. Lechman, G. S. Grest, A. F. Barbero, S. R. Nagel, and H. M. Jaeger, Powders & Grains, edited by Garcia-Rojo, H. J. Hermann, and S. McNamara (A. A. Balkema, Leiden, Netherlands), vol 2, p 763 (2005). (abstract)
Identifying the Primitive Path Mesh in Entangled Polymer Liquids, S. K. Sukumaran, G. S. Grest, K. Kremer, and R. Everaers, J Polymer Science Part B (Polymer Physics), 43, 917 (2005). (abstract)
Disorder Effects on the Strain Response of Model Polymer Networks, C. Svaneborg, G. S. Grest, and R. Everaers, Polymer, 46, 4283 (2005). (abstract)
Frictional Dynamics of Perfluorinated Self-Assembled Monolayers on Amorphous SiO2, C. D. Lorenz, E. B. Webb III, M. J. Stevens, M. Chandross, and G. S. Grest, Tribology Letters, 19, 93 (2005). (abstract)
Diverse Spreading Behavior of Binary Polymer Nanodroplets, D. R. Heine, G. S. Grest, and E. B. Webb III, Langmuir, 21, 7959 (2005). (abstract)
Surface Wetting of Liquid Nanodroplets: Droplet Size Effects, D. R. Heine, G. S. Grest, and E. B. Webb III, Phys Rev Lett, 95, 107801 (2005). (abstract)
Tribological Properties of Alkylsilane Self-Assembled Monolayers, C. D. Lorenz, M. Chandross, G. S. Grest, M. J. Stevens, and E. B. Webb III, Langmuir 21, 11744 (2005). (abstract)
Scattering from Polymer Networks under Elongational Strain, C. Svaneborg, G. S. Grest, and R. Everaers, Europhys Lett, 72, 760 (2005). (abstract)
Solvent Evaporation and Interdiffusion in Polymer Films, M. Tsige and G. S. Grest, J Physics - Condensed Matter, 17, S4119 (2005). (abstract)
Nanotribology of Anti-Friction Coatings in MEMS, M. Chandross, C. D. Lorenz, G. S. Grest, M. J. Stevens, and E. B. Webb III, J Minerals, Metals, and Materials (JOM), 57, 55 (2005). (abstract)
Pseudoelasticity of Single Crystalline Cu Nanowires through Reversible Lattice Reorientations, W. W. Liang and M. Zhou, J Engr Materials and Technology, 127, 423-433 (2005). (abstract)
Effect of Deformation Path Sequence on the Behavior of Nanoscale Copper Bicrystal Interfaces, D. E. Spearot, K. I. Jacob, D. L. McDowell, S. J. Plimpton, J Engr Materials and Technology, 127, 374-382 (2005). (abstract)
Effect of Equilibration on Primitive Path Analyses of Entangled Polymers, R. S. Hoy and M. O. Robbins, Phys Rev E, 72, 061802 (2005). (abstract)
Shape Memory and Pseudoelasticity in Metal Nanowires, H. S. Park, K. Gall, and J. A. Zimmerman Phys Rev Lett, 95, 255504 (2005). (abstract)
Healing surface defects with nanoparticle-filled polymer coatings: Effect of particle geometry, K. A. Smith, S. Tyagi, and A. C. Balazs, Macromolecules, 38, 10138-10147 (2005). (abstract)
Molecular dynamics simulation of amphiphilic bistable (2)rotaxane Langmuir monolayer at air/water interface, S. S. Jang, Y. H. Jang, Y.-H. Kim, W. A. Goddard III, J. W. Choi, J. R. Heath, A. H. Flood, B. W. Laursen, and J. F. Stoddart, J Amer Chem Soc, 127, 14804 (2005). (abstract)
Polymer melt near a solid surface: a molecular dynamics study of chain conformations and desorption dynamics, K. A. Smith, M. Vladkov, and J.-L. Barrat, Macromolecules, 38, 571-580 (2005). (abstract)
Hierarchical modeling of the dynamics of polymers with a nonlinear molecular architecture: calculation of branch point friction and chain reptation time of h-shaped polyethylene melts from long molecular dynamics simulations, N. C. Karayiannis and V. G. Mavrantzas, Macromolecules, 38, 8583-8596 (2005). (abstract)
The breakdown of continuum models for mechanical contacts, B. Luan and M. O. Robbins, Nature, 435, 929-932 (2005). (abstract)
Modeling inelasticity and failure in gold nanowires, H. S. Park and J. A. Zimmerman, Phys Rev B, 72, 054106 (2005). (abstract)
Slip behavior in liquid films on surfaces of patterned wettability: Comparison between continuum and molecular dynamics simulations, N. V. Priezjev, A. A. Darhuber, S. M. Troian, Phys Rev E, 71, 041608 (2005). (abstract)
Nanophase-segregation and water dynamics in the dendrion diblock copolymer formed from polyaryl ethereal dendrimer and linear PTFE, S. S. Jang, S.-T. Lin, T. Cagin, V. Molinero and W. A. Goddard III, J Phys Chem B, 109, 10154-10167 (2005). (abstract)
Structures and properties of self-assembled monolayers of bistable (2)rotaxanes on Au (111) surfaces from molecular dynamics simulations validated with experiment, S. S. Jang, Y. H. Jang, Y.-H. Kim, W. A. Goddard III, A. H. Flood, B. W. Laursen, H.-R. Tseng, J. F. Stoddart, J. O. Jeppesen, J. W. Choi, D. W. Steuerman, E. DeIonno, J. R. Heath, J Amer Chem Soc, 127, 1563-1575 (2005). (abstract)
Systematic study of the effect of disorder on nanotribology of self-assembled monolayers, M. Chandross, E. B. Webb III, M. J. Stevens, G. S. Grest, and S. H. Garofalini, Phys Rev Lett, 93, 166103/1-4 (2004). (abstract)
Fracture behavior of triglyceride-based adhesives, C. D. Lorenz, M. J. Stevens, and R. P. Wool, J Polymer Science B, 42, 3333-3343 (2004). (abstract)
Atomistic simulations of biologically realistic transmembrane potential gradients, J. N. Sachs, P. S. Crozier, T. B. Woolf, J Chem Phys, 121, 10847-51 (2004). (abstract)
How environment supports a state: Molecular dynamics simulations of two states in bacteriorhodopsin suggest lipid and water compensation, H. Jang, P. S. Crozier, M. J. Stevens, T. B. Woolf, Biophysical J, 87, 129-145 (2004). (abstract)
Effect of inertia and elasticity on stick-slip motion, B. Luan and M. O. Robbins, Phys Rev Lett, 93, 036105 (2004). (abstract)
Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS, C. Grindon, S. Harris, T. Evans, K. Novik, P. Coveney, C. Laughton, Philosophical Transactions of Royal Society A, 362, 1373-1386 (2004). (abstract)
Mechanically controlled, seeded formation of a nanoscale metastable phase in ionic compounds, J. W. Palko, M. Durandurdu, J. Kieffer, Nano Letters, 4, 1769-1773 (2004). (abstract)
Fcc-bcc transition for Yukawa interactions determined by applied strain deformation, R. S. Hoy and M. O. Robbins, Phys Rev E, 69, 056103 (2004). (abstract)
Nanophase-segregation and transport in Nafion 117 from molecular dynamics simulations: Effect of monomeric sequence, S. S. Jang, V. Molinero, T. Cagin, W. A. Goddard III, J Phys Chem B, 108, 3149-3157 (2004). (abstract)
Molecular dynamics study of surfactant-mediated decane/water interface: Effect of molecular architecture of alkyl benzene sulfonate, S. S. Jang, S. T. Lin, P. K. Maiti, M. Blanco, W. A. Goddard III, P. Shuler, Y. Tang, J Phys Chem B, 108, 12130 (2004). (abstract)
Discrete element simulations of stress distributions in silos: Crossover from two to three dimensions, J. W. Landry, G. S. Grest, S. J. Plimpton, Powder Technology, 139, 233-239 (2004). (abstract)
From atoms to dendrite's, J. J. Hoyt, A. Karma, M. Asta, D. Y. Sun, J Minerals, Metals, and Materials (JOM), 56, 49-54 (2004). (abstract)
Industrial property prediction using Towhee and LAMMPS, M. G. Martin and A. P. Thompson, Fluid Phase Equilibria, 217, 105-110 (2004). (abstract)
Effect of end-tethered polymers on surface adhesion of glassy polymers, S. W. Sides, G. S. Grest, M. J. Stevens, S. J. Plimpton, Journal of Polymer Science, Part B (Polymer Physics), 42, 199-208 (2004). (abstract)
Characterizing Isoparaffin Transport Properties with Stokes-Einstein Relationships, P. A. Gordon, Industrial and Engineering Chemistry Research, 42, 7025-7036, (2003). (abstract)
Influence of Simulation Details on Thermodynamic and Transport Properties in Molecular Dynamics of Fully Flexible Molecular Models, P. A. Gordon, Molecular Simulation, 29, 479-487 (2003). (abstract)
Mapping molecular models to continuum theories for partially miscible fluids, C. Denniston and M. O. Robbins, Phys Rev E, 69, 021505 (2003). (abstract)
Growth, microstructure, and failure of crazes in glassy polymers, J. Rottler and M. O. Robbins, Phys Rev E, 68, 011801 (2003). (abstract)
Confined granular packings: Structure, stress, and forces, G. S. Grest, J. W. Landry, S. J. Plimpton, L. E. Silbert, Phys Rev E, 67, 041303 (2003). (abstract)
Insights into the molecular mechanism of membrane fusion from simulation: Evidence for the association of splayed tails, M. J. Stevens, J. H. Hoh, T. B. Woolf, Phys Rev Lett, 91, 188102 (2003). (abstract)
Molecular simulations of deformation and failure in bonds formed by glassy polymer adhesives, J. Rottler and M. O. Robbins, J Adhesion Sci Tech, 17, 369-381 (2003). (abstract)
Shear yielding of amorphous glassy solids: Effect of temperature and strain rate, J. Rottler and M. O. Robbins, Phys Rev E, 68, 011507 (2003). (abstract)
Molecular dynamics simulation of dark-adapted rhodopsin in an explicit membrane bilayer: Coupling between local retinal and larger scale conformational change, P. S. Crozier, M. J. Stevens, L. R. Forrest, T. B. Woolf, J Molecular Biology, 333, 493-514 (2003). (abstract)
Mapping molecular simulations to continuum models for binary fluids, C. Denniston and M. O. Robbins, in Computer Simulation Studies in Condensed-Matter Physics XV, Eds. D. P. Landau, S. P. Lewis, and H. B. Schuttler, Springer Verlag, Heidelberg, Berlin, 90, 163-175 (2003). (abstract)
Equilibration of long chain polymer melts in computer simulations, R. Auhl, R. Everaers, G. S. Grest, K. Kremer, S. J. Plimpton, J Chem Phys, 119, 12718-12728 (2003). (abstract)
Simulations of single grafted polyelectrolyte chains: ssDNA and dsDNA, P. S. Crozier and M. J. Stevens, J Chem Phys, 118, 3855 (2003). (abstract)
Improved united atom force field for poly(dimethylsiloxane), A. L. Frischknecht and J. G. Curro, Macromolecules, 36, 2122-2129 (2003). (abstract)
Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore, A. P. Thompson, J Chem Phys, 119, 7503 (2003). (abstract)
Boundary effects and self-organization in dense granular flows, L. E. Silbert, G. S. Grest, S. J. Plimpton, D. Levine, Physics of Fluids, 14, 2637-2646 (2002). (abstract)
Torsion/simple shear of single crystal copper, M. F. Horstemeyer, T. J. Lim, W. Y. Lu,, D. A. Mosher, M. I. Baskes, V. C. Prantil, S. J. Plimpton, J of Engineering Materials and Technology (Transactions of the ASME), 124, 322-328 (2002). (abstract)
Jamming under tension in polymer crazes, J. Rottler and M. O. Robbins, Phys Rev Lett, 89, 195501 (2002). (abstract)
Cracks and crazes: On calculating the macroscopic fracture energy of glassy polymers from molecular simulations, J. Rottler, S. Barsky, M. O. Robbins, Phys Rev Lett, 89, 148304 (2002). (abstract)
Interactions and structure of poly(dimethylsiloxane) at silicon dioxide surfaces: Electronic structure and molecular dynamics studies, M. Tsige, T. Soddemann, S. B. Rempe, G. S. Grest, J. D. Kress, M. O. Robbins, S. W. Sides, M. J. Stevens, and E. Webb III, J Chem Phys, 118, 5132 (2002). (abstract)
Friction between alkylsilane monolayers: Molecular simulation of ordered monolayers, M. Chandross, G. S. Grest and M. J. Stevens, Langmuir, 18, 8392 (2002). (abstract)
Frictional properties of self-assembled alkylsilane chains on silica, M. Chandross, B. Park, M. Stevens, G.S. Grest, Materials Research Symposium Proceedings, 687, 179-184 (2002). (abstract)
Large-scale simulation of adhesion dynamics for end-grafted polymers, S. W. Sides, G. S. Grest, M. J. Stevens, Macromolecules, 35, 566-573 (2002). (abstract)
Calculation of alloy solid-liquid interfacial free energies from atomic-scale simulations, M. Asta, J. J. Hoyt, A. Karma, Phys Rev B, 66, 100101 (2002). (abstract)
Atomistic simulation methods for computing the kinetic coefficient in solid-liquid systems, J. J. Hoyt, M. Asta, A. Karma, Interfacial Science, 10, 181 (2002). (abstract)
Atomistic computation of liquid diffusivity, solid-liquid interfacial free energy and kinetic coefficient in Au and Ag, J. J. Hoyt, M. Asta, Phys Rev B, 65, 214106 (2002). (abstract)
Structure of poly(dimethylsiloxane) melts: Theory, simulation, and experiment, S. W. Sides, J. Curro, G. S. Grest, M. J. Stevens, T. Soddemann, A. Habenschuss, J. D. Londono, Macromolecules, 35, 6455-6465 (2002). (abstract)
Yield conditions for deformation of amorphous polymer glasses, J. Rottler and M. O. Robbins, Phys Rev E 64, 051801, (2001). (abstract)
Surface-tethered chains entangled in a polymer melt: Effects on adhesion dynamics, S. W. Sides, G. S. Grest, M. J. Stevens, Phys Rev E 64, 050802 (2001). (abstract)
Dynamics of exchange at gas-zeolite interfaces I: Pure component butane and isobutane, M. Chandross, E. B. Webb III, G. S. Grest, M. G. Martin, A. Thompson, M. Roth, J Phys Chem B, 105, 5700-5712 (2001). (abstract)
Simple simulations on DNA condensation, M. J. Stevens, Biophysical J, 80, 130 (2001). (abstract)
Manipulating connectivity to control fracture in network polymer adhesives, M. J. Stevens, Macromolecules, 34, 1411 (2001). (abstract)
Interfacial fracture between highly crosslinked polymer networks and a solid surface: Effect of interfacial bond density, M. J. Stevens, Macromolecules, 34, 2710 (2001). (abstract)
Characterizing the function of unstructured proteins: simulations of charged polymers under confinement, J. N. Bright, J. Hoh, M. J. Stevens, T. B. Woolf, J Chem Phys, 115, 4909 (2001). (abstract)
Self-consistent integral equation theory for polyolefins: Comparison to molecular dynamics calculations and X-ray scattering, M. Putz, J. G. Curro, G. S. Grest, J Chem Phys, 114, 2847 (2001). (abstract)
Molecular and continuum boundary conditions for a miscible binary fluid, C. Denniston and M. O. Robbins, Phys Rev Lett, 87, 178302 (2001). (abstract)
Length scale and time scale effects on the plastic flow of FCC metals, M. F. Horstemeyer, M. I. Baskes, S. J. Plimpton, Acta Materialia, 49, 4363-4374 (2001). (abstract)
Computational nanoscale plasticity simulations using embedded atom potentials, M. F. Horstemeyer, M. I. Baskes, S. J. Plimpton, Theoretical and Applied Fracture Mechanics, 37, 49-98 (2001). (abstract)
Granular flow down an inclined plane: Bagnold scaling and rheology, L. E. Silbert, D. Ertas, G. S. Grest, T. C. Halsey, D. Levine, S. J. Plimpton, Phys Rev E, 64, 051302 (2001). (abstract)
Method for Computing the Anisotropy of the Solid-Liquid Interfacial Free Energy, J. J. Hoyt, M. Asta, A. Karma, Phys Rev Lett, 86, 5530 (2001). (abstract)
Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants, J. B. Maillet, V. Lachet, P. V. Coveney, Phys Chem Chem Phys, 1, 5277-5290 (1999). (abstract)
Comparisons between integral equation theory and molecular dynamics simulations for realistic models of polyethylene liquids, J. G. Curro, E. B. Webb III, G. S. Grest, J. D. Weinhold, M. Putz, J. D. McCoy, J Chem Phys, 111, 9073 (1999). (abstract)
Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid, C. Donati, S. C. Glotzer, P. H. Poole, W. Kob, S. J. Plimpton, Phys Rev E, 60, 3107-3119 (1999). (abstract)
The diffusion of simple penetrants in tangent site polymer melts, D. R. Rottach, P. A. Tillman, J. D. McCoy, S. J. Plimpton, J. G. Curro, J Chem Phys, 111, 9822-9831 (1999). (abstract)
Stringlike cooperative motion in a supercooled liquid, C. Donati, J. F. Douglas, W. Kob, S. J. Plimpton, P. H. Poole, S. C. Glotzer, Phys Rev Lett, 80, 2338-2341 (1998). (abstract)
The effect of added salt on polyelectrolyte structure, M. J. Stevens and S. J. Plimpton, Eur Phys J B, 2, 341-345 (1998). (abstract)
Dislocation nucleation and defect structure during surface indentation, C. L. Kelchner, S. J. Plimpton, J. C. Hamilton, Phys Rev B, 58, 11085-11088 (1998). (abstract)
The structure and thermodynamics of energetically and structurally asymmetric polymer blends, P. A. Tillman, D. R. Rottach, J. D. McCoy, S. J. Plimpton, J. G. Curro, J Chem Phys, 109, 806-814 (1998). (abstract)
Dynamical heterogeneities in a supercooled Lennard-Jones liquid, W. Kob, C. Donati, S. J. Plimpton, P. H. Poole, S. C. Glotzer, Phys Rev Lett, 79, 2827- 2830 (1997). (abstract)
The effect of attractions on the structure and thermodynamics of model polymer blends, P. A. Tillman, D. R. Rottach, J. D. McCoy, S. J. Plimpton, J. G. Curro, J Chem Phys, 107, 4024-4032 (1997). (abstract)
Molecular dynamics simulation of athermal polymer blends: Comparison with integral-equation theory, C. S. Stevenson, J. G. Curro, J. D. McCoy, S. J. Plimpton, J Chem Phys, 103, 1208-1215 (1995). (abstract)
Molecular dynamics simulation of athermal polymer blends: Finite system size considerations, C. S. Stevenson, J. D. McCoy, S. J. Plimpton, J. G. Curro, J Chem Phys, 103, 1200-1207 (1995). (abstract)
Modeling a nematic liquid crystal, S. S. Patnaik, S. J. Plimpton, R. Pachter, W. W. Adams, Liquid Crystals, 19, 213-220 (1995). (abstract)
Molecular-statics and molecular-dynamics study of diffusion along 001 tilt grain boundaries in Ag, C. L. Liu and S. J. Plimpton, Phys Rev B, 51, 4523-4528 (1995). (abstract)
Molecular-dynamics simulations of grain-boundary diffusion in Al using embedded-atom method potentials, C. L. Liu and S. J. Plimpton, J Materials Research, 10, 1589-1592 (1995). (abstract)