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

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Table Of Integrals Series And Products

An elastic-plastic finite element model for the frictionless contact of a deformable sphere pressed by a rigid flat is presented. The evolution of the elastic-plastic contact with increasing interference is analyzed revealing three distinct stages that range from fully elastic through elastic-plastic to fully plastic contact interface. The model provides dimensionless expressions for the contact load, contact area, and mean contact pressure, covering a large range of interference values from yielding inception to fully plastic regime of the spherical contact zone. Comparison with previous elastic-plastic models that were based on some arbitrary assumptions is made showing large differences. ©2002 ASME

Elastic-Plastic Contact Analysis of a Sphere and a Rigid Flat

This paper gives a systematic introduction to HMM, the heterogeneous multiscale methods, including the fundamental design principles behind the HMM philosophy and the main obstacles that have to be ...

Heterogeneous multiscale methods: A review

https://cyberleninka.org/article/n/544115.pdf

Hydrodynamic lubrication of textured surfaces: A review of modeling techniques and key findings

A review of recent works on inclusions

The geometry of micro-scale textures and the relative motion of surfaces in contact may affect the performance of an elastohydrodynamic lubrication interface. Reported in this paper are the investigations of the effects of texture bottom shape and surface relative motion on lubrication enhancement using numerically generated textures by means of model-based virtual texturing and numerical simulation. These textures are on one of the interacting surfaces in a triangular distribution and have the same density. The results suggest that the bottom shapes involving a micro-wedge and/or a micro-step bearing tend to yield thicker films. The lubrication of selected textured surfaces was also studied under three different relative motions: texture surface moving, un-textured surface moving, and both moving. The results indicate that textures on the faster moving surface offer stronger film thickness enhancement.

Micro-Textures in Concentrated Conformal-Contact Lubrication: Effects of Texture Bottom Shape and Surface Relative Motion

Automotive and Aerospace Tribology- Bearing Design Procedures- Bio-Related Tribology- Boundary Lubrication- Contact Mechanics, Isothermal- Contact Mechanics, Thermal- Corrosion- Contact Fatigue- Conformal-Contact Interface Mechanics- Economic aspects- Electrical Contact- Failure of Tribological Components and Systems and Condition-Based Monitoring- Friction Science- Gas Lubrication and Vapor-Phase Lubrication- Health, Safety and Environmental Issues- Heat Transfer- Lubricants- Lubrication Fundamentals- Magnetic Storage Tribology- Manufacturing Tribology- Materials Science- Micro and nanotribology- Reliability- Surface Forces and Characterization- Seals- Surface Topography, Mathematical Analysis- Surface and Thin-Film Characterization- Surface Engineering- Coatings- Surface Engineering- Heat Treatment and Other Enhancement- Surface Engineering- Machine Finishing and Texturing- Test Methodologies and Standards-Tribochemistry- Vibration-Wear

Encyclopedia of tribology

Contact mechanics and friction

The effect of surface textures on the friction of a poly(dimethylsiloxane) (PDMS) elastomer has been investigated at both macro and microscales using a nanoindentation-scratching system. Friction tests were conducted by a stainless-steel bearing ball with a diameter of 1.6 mm (macroscale tests) and a Rockwell diamond tip with a radius of curvature of 25 μm (microscale tests) under normal loads of 5, 10, and 25 mN and with a sliding speed of 1 μm/s. Coefficient of friction (COF) on the pillar-textured surface was found to be much lower than that on the smooth surface of the same material, and it was reduced by about 59% at the macroscale tests and 38% at the microscale tests. The reduction of COF can be attributed to the reduced contact areas. The use of the JKR model revealed that the adhesion force has less effect on contacts under higher normal loads. COFs in different sliding directions on the groove-textured surfaces were compared, and a friction anisotropic behavior was identified and analyzed.

Q. Jane Wang

Papers

A review of recent works on inclusions

Micro-Textures in Concentrated Conformal-Contact Lubrication: Effects of Texture Bottom Shape and Surface Relative Motion

Encyclopedia of tribology

Contact mechanics and friction

Surface Texture Effect on Friction of a Microtextured Poly(dimethylsiloxane) (PDMS)