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

Shear-banding is a ubiquitous plastic-deformation mode in materials. In metallic glasses, shear bands are particularly important as they play the decisive role in controlling plasticity and failure at room temperature. While there have been several reviews on the general mechanical properties of metallic glasses, a pressing need remains for an overview focused exclusively on shear bands, which have received tremendous attention in the past several years. This article attempts to provide a comprehensive and up-to-date review on the rapid progress achieved very recently on this subject. We describe the shear bands from the inside out, and treat key materials-science issues of general interest, including the initiation of shear localization starting from shear transformations, the temperature and velocity reached in the propagating or sliding band, the structural evolution inside the shear-band material, and the parameters that strongly influence shear-banding. Several new discoveries and concepts, such as stick-slip cold shear-banding and strength/plasticity enhancement at sub-micrometer sample sizes, will also be highlighted. The understanding built-up from these accounts will be used to explain the successful control of shear bands achieved so far in the laboratory. The review also identifies a number of key remaining questions to be answered, and presents an outlook for the field.

Shear bands in metallic glasses

The Communication program emphasizes theory, research, and application to examine the ways humans communicate, verbally and non-verbally, across a variety of levels and contexts. This is particularly important as communication shapes our ideas and values, gives rise to our politics, consumption and socialization, and helps to define our identities and realities. Its power and potential is inestimable. From the briefest of text messages to the grandest of public declarations, we indeed live within communication and invite you to join us in appreciating its increasing importance in contemporary society. From Twitter and reality television to family relationships and workplace dynamics, communication is about understanding ourselves, our media, our relationships, our culture and how these things connect.

의사 간호사 communication

High-pressure torsion (HPT) method currently receives much attention as a severe plastic deformation (SPD) technique mainly because of the reports of Prof. Ruslan Z. Valiev and his co-workers in 1988. They reported the efficiency of the method in creating ultrafine-grained (UFG) structures with predominantly high-angle grain boundaries, which started the new age of nanoSPD materials with novel properties. The HPT method was first introduced by Prof. Percy W. Bridgman in 1935. Bridgman pioneered application of high torsional shearing stress combined with high hydrostatic pressure to many different kinds of materials such as pure elements, metallic materials, glasses, geological materials (rocks and minerals), biological materials, polymers and many different kinds of organic and inorganic compounds. This paper reviews the findings of Bridgman and his successors from 1935 to 1988 using the HPT method and summarizes their historical importance in recent advancement of materials, properties, phase transformations and HPT machine designs.

A review on high-pressure torsion (HPT) from 1935 to 1988

Ionic liquids are an emerging class of materials with a diverse and extraordinary set of properties. Understanding the origins of these properties and how they can be controlled by design to serve valuable practical applications presents a wide array of challenges and opportunities to the chemical physics and physical chemistry community. We highlight here some of the significant progress already made and future research directions in this exciting area.

/pdf/spotlight-on-ionic-liquids-5005tyl7v0.pdf

Spotlight on ionic liquids

An infrared temperature measurement system was used to measure hot spots in a magnetic head rigid disk interface. The system employed the spectral distribution as well as intensity of sampled radiation to determine both the temperature and effective area of microscopic sources at elevated temperature. Flash temperatures between particulate and thin-film rigid disks and a simulated transparent sapphire slider at various operating conditions were measured.

Measurements of Asperity Temperatures of a Read/Write Head Slider Bearing in Hard Magnetic Recording Disks

The piezoviscous effect is accurately characterized for a number of representative lubricating oil base stocks and a simple, well-defined hydrocarbon. Procedures for the generation of accurate pressure-viscosity coefficients are outlined. The reciprocal asymptotic isoviscous pressure may be measured to within perhaps 1%. The piezoviscous effect may be important to automotive fuel economy. The departure from exponential behavior at very low pressure becomes more pronounced at high temperature. Presented at the 57th Annual Meeting Houston, Texas May 19–23, 2002

Accurate Measurements of Pressure-Viscosity Behavior in Lubricants

A conclusive demonstration has been provided that the nature of the shear-thinning, that affects both film thickness and traction in EHL contacts, follows the ordinary power-law rule that has been described by many empirical models of which Carreau is but one example. This was accomplished by accurate measurements in viscometers of the shear response of a PAO that possesses a very low critical stress for shear-thinning and accurate measurements in-contact of film thickness and traction under conditions which accentuate the shear-thinning effect. The in-contact central film thickness and traction were entirely predictable from the rheological properties obtained from viscometers using simple calculations. These data should be invaluable to researchers endeavoring to accurately simulate Hertz zone behavior since the shear-thinning rheology is extensively characterized and accurate in-contact data are available to test. In addition, a new model has been introduced that may be useful for the rheological characterization of mixtures.

https://hal.archives-ouvertes.fr/hal-00140809/document

A unified shear-thinning treatment of both film thickness and traction in EHD

Realistic prediction of the characteristics of the elastohydrodynamic lubrication (EHL) contact requires consideration of the appropriate constitutive equation for the lubricant. In many applications, the lubricant exhibits a shear-thinning behaviour which significantly affects the film thickness. In this paper, we present a generalized formulation that can efficiently treat shear-thinning fluids with provision for compressibility in the EHL line contact. Specifically, the Carreau model and the sinh-law model are investigated. An extensive set of numerical solutions and comparison with experiments reveal that the Carreau equation properly captures the film thickness behaviour under both rolling and sliding conditions.

On the elastohydrodynamic analysis of shear-thinning fluids

There is an industrial requirement for a suitable reference material for viscosity measurements in the moderate to high viscosity region. Diisodecyl phthalate (DIDP) has been put forward as a candidate for this purpose. The field of elastohydrodynamics has a similar need for a reference lubricant that would allow the comparison of calculated contact behavior with experimental measurements. We report measurements of the viscosity of DIDP at atmospheric pressure between (0 and 100) °C and at high pressures to 1 GPa between (20 and 100) °C using three different falling body viscometers and samples from two different manufacturers. Densities obtained with a vibrating-tube densimeter are reported between (0 and 90) °C at atmospheric pressure.

Scott Bair

Papers

Measurements of Asperity Temperatures of a Read/Write Head Slider Bearing in Hard Magnetic Recording Disks

Accurate Measurements of Pressure-Viscosity Behavior in Lubricants

A unified shear-thinning treatment of both film thickness and traction in EHD

On the elastohydrodynamic analysis of shear-thinning fluids

Temperature and Pressure Dependence of the Viscosity of Diisodecyl Phthalate at Temperatures between (0 and 100) °C and at Pressures to 1 GPa