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The Journal of Chemical Physics, ISSN 0021-9606, 10/2016, Volume 145, Issue 14, p. 141101
Journal Article
Science, ISSN 0036-8075, 2/2004, Volume 303, Issue 5659, pp. 823 - 826
The viscoelastic properties of high molecular weight polymeric liquids are dominated by topological constraints on a molecular scale. In a manner similar to... 
Liquids | Experimental data | Rheology | Polycarbonates | Macromolecules | Reports | Topology | Polymers | Modeling | Parametric models | Monomers | MOLECULAR-WEIGHT | MULTIDISCIPLINARY SCIENCES | LENGTH | DYNAMICS | SYSTEMS | STATISTICAL MECHANICS | SIMULATIONS | MODEL | CHAIN DIMENSIONS | MELTS | REPTATION | Viscoelasticity | Chemical properties | Fluid dynamics | Molecular biology
Journal Article
European Polymer Journal, ISSN 0014-3057, 05/2018, Volume 102, pp. 82 - 89
[Display omitted] •It is essential to research bulk and interface behavior of penetrants in PMPT.•All the three regimes of penetrant transports were explored... 
Nanoparticles | Gas | Polymer | Molecular dynamics simulation | Composite | Transport | Methane | Lubrication and lubricants | Molecular dynamics | Permeability | Polymers | Titanium dioxide
Journal Article
Macromolecules, ISSN 0024-9297, 03/2016, Volume 49, Issue 5, pp. 1950 - 1960
Molecular dynamics simulations of a coarse-grained bead–spring model have been used to study the effects of molecular crowding on the accumulation of tension... 
NANOSCIENCE AND NANOTECHNOLOGY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2019, Volume 150, Issue 22
We report that large scale molecular dynamics simulations are used to study drying suspensions of a binary mixture of large and small particles in explicit and... 
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2011, Volume 134, Issue 20, pp. 204905 - 204905-10
Molecular dynamics simulations were conducted to investigate the dynamic properties of melts of nonconcatenated ring polymers and compared to melts of linear... 
TOPOLOGY | DISSIPATIVE PARTICLE DYNAMICS | POLYSTYRENE | SHEAR | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATION | DIFFUSION | VISCOSITY | WEIGHT | DEPENDENCE | LIQUIDS | Physics - Soft Condensed Matter
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2019, Volume 150, Issue 22, p. 224901
Large scale molecular dynamics simulations are used to study drying suspensions of a binary mixture of large and small particles in explicit and implicit... 
AUTOSTRATIFICATION | EVAPORATION | FILMS | POLYMER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | COLLOIDAL DISPERSIONS | Molecular dynamics | Solvents | Computer simulation | Film thickness | Stratification | Drying
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 12/2017, Volume 147, Issue 22, p. 224901
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 08/2018, Volume 149, Issue 8, p. 084903
The temperature response of luminescent ionizable polymers confined into far from equilibrium nanoparticles without chemical links was studied using molecular... 
FUNCTIONALIZATION | POLYELECTROLYTES | MOLECULAR-DYNAMICS | FORCE | BRUSHES | POLYDOTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MODEL | SIMULATION | WATER | SURFACES | Thin films | Nanoparticles | Organic chemistry | Temperature dependence | Transition temperature | Computer simulation | Migration | Molecular dynamics | Particle shape | Polymers | Polymeric films | MATERIALS SCIENCE
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2003, Volume 119, Issue 24, pp. 12718 - 12728
Several methods for preparing well equilibrated melts of long chains polymers are studied. We show that the standard method in which one starts with an... 
TOPOLOGY | DIMENSIONS | ROUSE MODEL | ARRANGEMENT | ENTANGLEMENT | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | MONTE-CARLO-SIMULATION | POLYETHYLENE | EXCLUDED-VOLUME | Physics - Soft Condensed Matter | POLYMERS | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | FLUCTUATIONS | FLEXIBILITY | STARS | ALGORITHMS | CHAINS | SIMULATION | BENDING | DEFORMATION | COMPUTERIZED SIMULATION
Journal Article
Physical Review Letters, ISSN 0031-9007, 2019, Volume 122, Issue 4, p. 048003
The transition between shear-flowing and shear-arrested states of frictional granular matter is studied using constant-stress discrete element simulations. By... 
PHYSICS, MULTIDISCIPLINARY | Decay rate | Deformation | Shear flow | Bifurcations | Shear stresses | Discrete element method | Steady state | Crossovers | Pressure dependence | Friction | External pressure | Equilibrium flow | Shear stress | Physics - Soft Condensed Matter
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2017, Volume 146, Issue 24, p. 244907
Long-lived soft nanoparticles, formed by conjugated polymers, constitute a new class of far-from-equilibrium responsive structures for nano-medicine. Tethering... 
CHEMISTRY, PHYSICAL | CONJUGATED POLYMER NANOPARTICLES | MOLECULAR-DYNAMICS | DRUG-DELIVERY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Nanoparticles | Molecular dynamics | Dynamic tests | Tethering | Polymers | MATERIALS SCIENCE
Journal Article
ISSN 2040-3364, 2/2017, Volume 9, Issue 6, pp. 2117 - 2122
Directing the formation of nanostructures that serve as building blocks of membranes presents an immense step towards engineering controlled polymeric ion... 
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 2001, Volume 64, Issue 5, pp. 051302/1 - 051302/14
We have performed a systematic, large-scale simulation study of granular media in two- and three-dimensions, investigating the rheology of cohesionless... 
Physics - Statistical Mechanics
Journal Article
Macromolecules, ISSN 0024-9297, 10/2018, Volume 51, Issue 19, pp. 7621 - 7628
Controlling polymer viscosity and flow is key to their many applications through strength and processability. The topology of the polymer i.e., linear, stars,... 
LINEAR RHEOLOGY | MOLECULAR-DYNAMICS | POLYSTYRENES | POLYMER SCIENCE | BRANCH-POINT MOTION | RHEOLOGICAL PROPERTIES | VISCOELASTIC PROPERTIES | ARCHITECTURALLY COMPLEX POLYMERS | EXTENSIONAL RHEOLOGY | MODEL | POLYETHYLENE | MATERIALS SCIENCE
Journal Article
Journal Article
Langmuir, ISSN 0743-7463, 10/2017, Volume 33, Issue 41, pp. 11070 - 11076
Controlling the structure and dynamics of thin films of ionizable polymers at water interfaces is critical to their many applications. As the chemical... 
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | MATERIALS SCIENCE
Journal Article
Langmuir, ISSN 0743-7463, 06/2018, Volume 34, Issue 24, pp. 7161 - 7170
Journal Article
ACS Macro Letters, ISSN 2161-1653, 06/2016, Volume 5, Issue 6, pp. 694 - 698
Large-scale molecular dynamics simulations are used to study the dispersion of nanoparticles (NPs) in a polymer film during solvent evaporation. As the solvent... 
GOLD NANOPARTICLES | MOLECULAR-DYNAMICS | NANOCOMPOSITES | ORIGINS | IMPACT | POLYMER SCIENCE | MATERIALS SCIENCE
Journal Article