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Steven J. Plimpton

Bio: Steven J. Plimpton is an academic researcher from Sandia National Laboratories. The author has contributed to research in topics: Parallel algorithm & Direct simulation Monte Carlo. The author has an hindex of 44, co-authored 128 publications receiving 62532 citations.


Papers
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Journal ArticleDOI
26 Jul 2018
TL;DR: In this article, a gas in a Minimal Couette unit at Re=500 using Direct Simulation Monte Carlo, a molecular method enforcing molecular chaos for gas-molecule collisions, reproduces the turbulence from DNS.
Abstract: Simulations of a gas in a Minimal Couette unit at Re=500 using Direct Simulation Monte Carlo, a molecular method enforcing molecular chaos for gas-molecule collisions, reproduces the turbulence from DNS. Thus molecular chaos does not prevent development of long-range correlations in turbulence.

13 citations

Journal ArticleDOI
11 Jan 2021
TL;DR: In this paper, a compressible Taylor-Green vortex flow is simulated using both non-continuum molecular gas dynamics and continuum computational fluid dynamics, showing that molecular-level fluctuations break the flow symmetries and thereby produce different but statistically similar routes from the initial nonturbulent flow to the long-time turbulent flow.
Abstract: For high-Mach-number turbulent flows, the Kolmogorov length scale can be comparable to the gas-molecule mean-free path, which could introduce noncontinuum molecular-level effects into the turbulent energy cascade. To investigate this issue, compressible Taylor-Green vortex flow is simulated using both noncontinuum molecular gas dynamics and continuum computational fluid dynamics. Although the energy-decay rates are the same, molecular-level fluctuations break the flow symmetries and thereby produce different but statistically similar routes from the initial nonturbulent flow to the long-time turbulent flow.

13 citations

Journal ArticleDOI
01 Jun 1993
TL;DR: This article documents the implementation of digital spotlight SAR processing components on three commercially avail able massively parallel computers: the Connection Ma chine (CM-2), the nCUBE 2, and the Intel iPSC/860.
Abstract: Near-real-time digital formation of large synthetic aper ture radar SAR images requires the computational throughput that only a dedicated special processor or a massively parallel computer can offer. This article documents the implementation of digital spotlight SAR processing components on three commercially avail able massively parallel computers: the Connection Ma chine CM-2, the nCUBE 2, and the Intel iPSC/860. The three basic spotlight SAR processing components, the polar reformatter, the two-dimensional fast Fourier transformation, and autofocus, are briefly discussed to provide a technical background for the implementation issues that apply to massively parallel computers. As pects of the SAR components that can exploit features of a SIMD or MIMD architecture are also presented. Finally, timing test results on various computers are provided for evaluation and comparison.

13 citations

Journal ArticleDOI
TL;DR: In this article, the effect of deformation sequence and history on the inelastic behavior of copper interfaces on the nanoscale was investigated using an asymmetric 45 deg tilt bicrystal interface.
Abstract: Molecular dynamics calculations are performed to study the effect of deformation sequence and history on the inelastic behavior of copper interfaces on the nanoscale. An asymmetric 45 deg tilt bicrystal interface is examined, representing an idealized high-angle grain boundary interface. The interface model is subjected to three different deformation paths: tension then shear, shear then tension, and combined proportional tension and shear. Analysis shows that path-history dependent material behavior is confined within a finite layer of deformation around the bicrystal interface. The relationships between length scale and interface properties, such as the thickness of the path-history dependent layer and the interface strength, are discussed in detail.

13 citations


Cited by
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Journal ArticleDOI
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.

32,670 citations

01 May 1993
TL;DR: 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.
Abstract: 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.

29,323 citations

28 Jul 2005
TL;DR: PfPMP1)与感染红细胞、树突状组胞以及胎盘的单个或多个受体作用,在黏附及免疫逃避中起关键的作�ly.
Abstract: 抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1(PfPMP1)与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用,在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员,通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

18,940 citations

Journal ArticleDOI
TL;DR: GROMACS is one of the most widely used open-source and free software codes in chemistry, used primarily for dynamical simulations of biomolecules, and provides a rich set of calculation types.

12,985 citations