Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

A fast-Fourier-transform method of topography and interferometry is proposed. By computer processing of a noncontour type of fringe pattern, automatic discrimination is achieved between elevation and depression of the object or wave-front form, which has not been possible by the fringe-contour-generation techniques. The method has advantages over moire topography and conventional fringe-contour interferometry in both accuracy and sensitivity. Unlike fringe-scanning techniques, the method is easy to apply because it uses no moving components.

Fourier-transform method of fringe-pattern analysis for computer-based topography and interferometry

Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment: Editorial

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Theory Of Simple Liquids

Validating simulations with experimental results is a vital component of modern materials science. Existing workflows require substantial human intervention to interpret their results. We present a statistical approach to identify physically meaningful features, and we construct a visualization system that allows users to interactively and intuitively explore their datasets.

An Interactive Exploration Tool for High-Dimensional Datasets: A Shock Physics Case Study

Design of a Large-Scale Soxhlet Extraction System for Conventional High Explosives

Two dimensional velocity interferometer (2d-VISAR) data can be treated as a kind of hologram, since fringes recorded by the interferometer manifest both phase and magnitude information about changes in the optical field of the target, over an image. By the laws of diffraction, knowledge of the optical field at one focal plane can be used to calculate the optical field at another focal plane. Hence a numerical re-focusing operation can be performed on the data post-experiment, which can bring into focus narrow features that were recorded in an out of focus configuration. Demonstration on shocked Si data is shown.

http://absimage.aps.org/image/SHOCK13/MWS_SHOCK13-2013-000041.pdf

Numerical re-focusing of 2d-VISAR data

Ultrafast ellipsometry and transient absorption spectroscopies are used to measure material dynamics under extreme conditions of temperature, pressure, and volumetric compression induced by shock wave loading with a chirped, spectrally clipped shock drive pulse.

/pdf/ultrafast-dynamic-ellipsometry-and-spectroscopies-of-laser-44btwcc7xx.pdf

Ultrafast Dynamic Ellipsometry and Spectroscopies of Laser Shocked Materials

Two-dimensional velocity interferograms of shocked silicon surface illuminated by a pair of 3ps pulses separated by 260 ps can be treated as holograms to numerically refocus narrow cracks otherwise blurred in ordinary image.

Holographic Behavior in Ultrashort Pulse-pair 2d-Velocimetry

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