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

THE DESIGN AND ANALYSIS OF EXPERIMENTS. By Oscar Kempthorne. New York, John Wiley and Sons, Inc., 1952. 631 pp. $8.50. This book by a teacher of statistics (as well as a consultant for \"experimenters\") is a comprehensive study of the philosophical background for the statistical design of experiment. It is necessary to have some facility with algebraic notation and manipulation to be able to use the volume intelligently. The problems are presented from the theoretical point of view, without such practical examples as would be helpful for those not acquainted with mathematics. The mathematical justification for the techniques is given. As a somewhat advanced treatment of the design and analysis of experiments, this volume will be interesting and helpful for many who approach statistics theoretically as well as practically. With emphasis on the \"why,\" and with description given broadly, the author relates the subject matter to the general theory of statistics and to the general problem of experimental inference. MARGARET J. ROBERTSON

The Design and Analysis of Experiments

The American Society for Testing and Materials (ASTM) is an independent organization devoted to the development of standards.

American Society for Testing and Materials

A positive temperature coefficient is the term which has been used to indicate that an increase in solubility occurs as the temperature is raised, whereas a negative coefficient indicates a decrease in solubility with rise in temperature.

Effect of Temperature

Large-Scale Fabrication of Boron Nitride Nanosheets and Their Utilization in Polymeric Composites with Improved Thermal and Mechanical Properties

Oxidation behaviour and residual mechanical properties of carbon/carbon composites

Industrial applications of Ti-based alloys, especially in aerospace, marine and offshore industries, have grown significantly over the years primarily due to their high strength, light weight as well as good fatigue and corrosion-resistance properties. A combination of experimental and numerical studies is necessary to predict a material behavior of such alloys under high strain-rate conditions characterized also by a high level of strains accompanied by high temperatures. A Split Hopkinson Pressure Bar (SHPB) technique is a commonly used experimental method to characterize a dynamic stress-strain response of materials at high strain rates. In a SHPB test, the striker bar is shot against the free end of the incident stress bar, which on impact generates a stress pulse propagating in the incident bar towards the specimen sandwiched between the incident and transmitted bars. An experimental study and a numerical analysis based on a three-dimensional finite element model of the SHPB experiment are performed in this study to assess various features of the underlying mechanics of deformation processes of the alloy tested at high-strain and -strain-rate regimes.

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Dynamic Behavior of Advanced Ti Alloy under Impact Loading: Experimental and Numerical Analysis

Laser Processing of Polymers for Surface Energy Control of Biomedical Implants

AM lower-limb prosthetic socket: Using FEA for improved mechanical performance

Product miniaturisation demands high-precision machining at micro-scale in fabrication of components for micromechanical systems. Machining at small length scales is challenging, as orientation of individual grains of the cut work-piece material influences the process. Thus, a thorough understanding of micromechanics of deformation at micro-scale is essential to predict machining outcomes. Here, we demonstrate the current state-of-the-art in computational modelling using a finite-element framework for machining of single-crystal materials.

Vadim V. Silberschmidt

Papers

Oxidation behaviour and residual mechanical properties of carbon/carbon composites

Dynamic Behavior of Advanced Ti Alloy under Impact Loading: Experimental and Numerical Analysis

Laser Processing of Polymers for Surface Energy Control of Biomedical Implants

AM lower-limb prosthetic socket: Using FEA for improved mechanical performance

Machining in monocrystals