Steven J. Plimpton
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View article: Load-Balancing and Performance of a Gridless Particle Simulation on MIMD, SIMD, and Vector Supercomputers
Load-Balancing and Performance of a Gridless Particle Simulation on MIMD, SIMD, and Vector Supercomputers Open
Our charged particle simulation models a relativistic electron beam for which the field solution is local and thus requires no grid. We have implemented the simulation on a CRAY and on two parallel machines, a nCUBE 2 and Connection Machin…
View article: Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing
Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing Open
SPPARKS is an open-source parallel simulation code for developing and running various kinds of on-lattice Monte Carlo models at the atomic or meso scales. It can be used to study the properties of solid-state materials as well as model the…
View article: Process for predicting structural performance of mechanical systems
Process for predicting structural performance of mechanical systems Open
A process for predicting the structural performance of a mechanical system represents the mechanical system by a plurality of surface elements. The surface elements are grouped according to their location in the volume occupied by the mech…
View article: Entropic Mixing of Ring/Linear Polymer Blends
Entropic Mixing of Ring/Linear Polymer Blends Open
The topological constraints of nonconcatenated ring polymers force them to form compact loopy globular conformations with much lower entropy than unconstrained ideal rings. The closed-loop structure of ring polymers also enables them to be…
View article: Input scripts and styles.
Input scripts and styles. Open
script naming prefixes and suffixes, and options in script headers. We demonstrate several modular, object-like utility scripts that can be used alone or combined into other utilities. These include developer tools such as a System.Echo su…
View article: LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales Open
Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesoscale to continuum. …
View article: Whirlwind tour of more advanced topics.
Whirlwind tour of more advanced topics. Open
good experimental design for test and model computation planning, and the combination of data, models and knowledge through the use of Bayes Theorem. A brief introduction to multivariate methods and exploratory data analysis will be presen…
View article: LAMMPS Stable release 29 October 2020
LAMMPS Stable release 29 October 2020 Open
Major changes since the last stable release 3 March 2020 General changes: Significant refactoring of the core LAMMPS code to increase code reuse, simplify new additions, improve thread safety, and benefit from C++11 features. In particular…
View article: Granular packings with sliding, rolling, and twisting friction
Granular packings with sliding, rolling, and twisting friction Open
Intuition tells us that a rolling or spinning sphere will eventually stop due to the presence of friction and other dissipative interactions. The resistance to rolling and spinning or twisting torque that stops a sphere also changes the mi…
View article: Parallel algorithms for hyperdynamics and local hyperdynamics
Parallel algorithms for hyperdynamics and local hyperdynamics Open
Hyperdynamics (HD) is a method for accelerating the timescale of standard molecular dynamics (MD). It can be used for simulations of systems with an energy potential landscape that is a collection of basins, separated by barriers, where tr…