There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

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

Department of Materials Science, University of Patras, 26504 Rio Patras, Greece, Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vass. Constantinou Avenue, 116 35 Athens, Greece, Institut de Biologie Moleculaire et Cellulaire, UPR9021 CNRS, Immunologie et Chimie Therapeutiques, 67084 Strasbourg, France, and Dipartimento di Scienze Farmaceutiche, Universita di Trieste, Piazzale Europa 1, 34127 Trieste, Italy

Chemistry of Carbon Nanotubes

Carbon nanotube–polymer composites: Chemistry, processing, mechanical and electrical properties

With the aid of the Raman spectroscopy, this paper investigates the phase transformation and residual stress distribution in surfaces of polycrystalline diamond composites polished by dynamic friction technique. To clarify the contribution of phase transformations to residual stresses, the study focused on the surface which was incompletely polished such that the transformed phases remained. It was found that amorphous non-diamond carbon and amorphous graphite phase appeared in grain boundaries, but pristine diamond phase was predominant within gain areas. The residual stresses vary across the polished surfaces and the maximum stress locates at the grain boundaries.

Phase Transformation and Stress Distribution in Polished PCD Composites

Nano-Characterisation of Materials: Silicon, Copper, Carbon Nanotubes and Diamond Thin Films

High speed machining (HSM) is finding wider applications due to its economic advantages, such as faster material removal rates, and its technological merits, such as improved surface finish. Nevertheless, the application of HSM also brings about some undesirable results. For example, the tool life and surface integrity of a machined component are greatly affected by the large amount of heat generated, but heat dissipation during an HSM has not been well understood. This paper aims to achieve a quantitative understanding of the heat dissipation in HSM using a bar turning configuration. Based on the calorimetric method and utilizing water as the heat transfer medium, the temperature rise in water was measured to determine the fractions of heat dissipated into the chips, the tool and the workpiece during machining. The obtained results show that the chips take the largest portion of the heat generated and this fraction increases with the increase in feed.

An Investigation of Heat Dissipation in High Speed Machining

Analytical grinding force prediction with random abrasive grains of grinding wheels

Subsurface damage of fused silica optics is one of the major factors restricting the performance of optical systems. The densification-affected deformation and fracture in fused silica under a sliding contact are investigated in this study, via three-dimensional finite element analysis (FEA). The finite element models of scratching with 70.3° conical and Berkovich indenters are established. A refined elliptical constitutive model is used to consider the influence of densification. The finite element models are experimentally verified by elastic recovery, and theoretically verified by hardness ratio. Results of densification and plastic deformation distributions indicate that the accuracy of existent sliding stress field models may be improved if the spherical/cylindrical yield region is replaced by an ellipsoid/cylindroid, and the embedding of the yield region is considered. The initiation sequence, and the locations and stages of radial, median, and lateral cracks are discussed by analyzing the predicted sliding stress fields. Median and radial cracks along the sliding direction tend to be the first cracks that emerge in the sliding and unloading stages, respectively. They coalesce to form a big median–radial crack that penetrates through the entire yield region. The fracture behavior of fused silica revealed in this study is essential in the low-damage machining of fused silica optics.

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Liangchi Zhang

Papers

Phase Transformation and Stress Distribution in Polished PCD Composites

Nano-Characterisation of Materials: Silicon, Copper, Carbon Nanotubes and Diamond Thin Films

An Investigation of Heat Dissipation in High Speed Machining

Analytical grinding force prediction with random abrasive grains of grinding wheels

An Investigation into the Densification-Affected Deformation and Fracture in Fused Silica under Contact Sliding