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

Ultrasonically assisted cutting of bio-tissues in microtomy

Calendered nonwovens, formed by polymeric fibres, are three-phase heterogeneous materials, comprising a fibrous matrix, bond-areas and interface regions. As a result, two main factors of anisotropy...

https://journals.sagepub.com/doi/pdf/10.1177/0021998320976795

Anisotropic mechanical behaviour of calendered nonwoven fabrics: strain-rate dependency

http://scientiairanica.sharif.edu/article_20692_03a52a4521d68e3e43702f2b46a65454.pdf

Influence of tool material on forces, temperature, and surface quality of Ti-15333 alloy in CT and UAT

A statistical-thermodynamic approach is proposed for the description of mechanical twinning in polycrystals, based on an introduction of a traceless order parameter. An analysis of state equations allows the characteristic features of deformation under twinning to be described. The influence of the polycrystalline structure and of the stress sign inversion upon the twin formation is studied.

On statistical thermodynamics of deformation twinning

Carbon fibre-reinforced polymer (CFRP) composites used in sports products can be exposed to different in-service conditions such as large dynamic bending deformations caused by impact loading. Composite materials subjected to such loads demonstrate various damage modes such as matrix cracking, delamination and, ultimately, fabric fracture. Damage evolution affects both in-service properties and performance of CFRP that can deteriorate with time. These failure modes need adequate means of analysis and investigation, the major approaches being experimental characterisation and numerical simulations. This research deals with a deformation behaviour and damage in composite laminates due to dynamic bending. Experimental tests are carried out to characterise the behaviour of a woven CFRP material under large-deflection dynamic bending in impact tests carried out to obtain the force-time and absorbed energy profiles for CFRP laminates. Damage in the impacted laminates is analysed using optical microscopy. Numerical simulations are performed to study the deformation behaviour and damage in CFRP for cases of large-deflection bending based on three-dimensional finite-element models implemented in the commercial code Abaqus/Explicit. Multiple layers of bilinear cohesive-zone elements are employed to model the initiation and progression of inter-ply delamination observed in the microscopy studies. The obtained results of simulations show good agreement with experimental data.

/pdf/damage-in-woven-cfrp-laminates-under-impact-loading-1cjktwjw6r.pdf

Vadim V. Silberschmidt

Papers

Ultrasonically assisted cutting of bio-tissues in microtomy

Anisotropic mechanical behaviour of calendered nonwoven fabrics: strain-rate dependency

Influence of tool material on forces, temperature, and surface quality of Ti-15333 alloy in CT and UAT

On statistical thermodynamics of deformation twinning

Damage in woven CFRP laminates under impact loading