Engineering topics
Grest, Gary Stephen
Publications and source records attributed to Grest, Gary Stephen.
Equilibrium Route to Gelation in Nanoparticle/Polymer Mixtures.
Abstract not provided.
Effects of functional groups and ionization on the structure of alkanethiol coated gold nanoparticles.
Abstract not provided.
Self-Healing of polymers: Interfacial dynamics entanglements and strength.
Abstract not provided.
Entropically-Driven Destabilization of Nanoparticle Crystals.
Abstract not provided.
CINT Computer Simulation Guide for Designing Polymeric Nanoparticles Published.
Abstract not provided.
Theory & Simulation of Nanoscale Phenomena - Triennial Presentation.
Abstract not provided.
Simulations of Nanoparticle Ordering in Polymers via Solvent Evaporation.
Abstract not provided.
Molecular Dynamics simulations of Nanoparticle Organization in Polymer/Solvent Mixtures.
Abstract not provided.
Simulations of nanoparticle Ordering in Polymers via Solvent Evaporation.
Abstract not provided.
Effects of functional groups and ionization on the structure of alkanethiol coated gold nanoparticles.
Abstract not provided.
Resposive nanocomposites
The design of materials that respond to changing environmental conditions is a leading-edge materials area that will impact fundamental scientific and mission areas of Sandia. For this project, the responsive materials of interest were nanocomposites. Nanocomposites have come to the forefront of study since very low load levels (< 5 %) of the filler can have a dramatic impact on the matrices final properties. This is due to the increased interfacial interaction of the 1D nanomaterials with the polymeric matrix. As we develop these Responsive Nanocomposites we expect to impact a wide number of research areas, including energy security and weapons. For example, polymeric materials in gasket seals would adapt to differing temperatures and humidity such that they maintain an optimal degree of functionality regardless of climate variations.
Evaporation-Induced nanoparticle Assembly: Molecular Dynamics Studies.
Abstract not provided.
Structure and Diffusion of Nanoparticles at the Liquid/Vapor Interface: Molecular Dynamics Simulations.
Abstract not provided.
Modeling ramp compression experiments using large-scale molecular dynamics simulation.
Molecular dynamics simulation (MD) is an invaluable tool for studying problems sensitive to atomscale physics such as structural transitions, discontinuous interfaces, non-equilibrium dynamics, and elastic-plastic deformation. In order to apply this method to modeling of ramp-compression experiments, several challenges must be overcome: accuracy of interatomic potentials, length- and time-scales, and extraction of continuum quantities. We have completed a 3 year LDRD project with the goal of developing molecular dynamics simulation capabilities for modeling the response of materials to ramp compression. The techniques we have developed fall in to three categories (i) molecular dynamics methods (ii) interatomic potentials (iii) calculation of continuum variables. Highlights include the development of an accurate interatomic potential describing shock-melting of Beryllium, a scaling technique for modeling slow ramp compression experiments using fast ramp MD simulations, and a technique for extracting plastic strain from MD simulations. All of these methods have been implemented in Sandia's LAMMPS MD code, ensuring their widespread availability to dynamic materials research at Sandia and elsewhere.