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.

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Spotlight on ionic liquids

The rheological assumptions of classical EHL: What went wrong?

Exact, closed-form, one-dimensional Reynolds equations are presented for the Ostwald-DeWaele model, the Ellis model, the Spriggs model, and the double-Newtonian Rabinowitsch and Ferry model...

Reynolds Equations for Common Generalized Newtonian Models and an Approximate Reynolds-Carreau Equation:

The behavior of lubricants at operational conditions, such as at high pressures, is a topic of great industrial interest. In particular, viscosity and the viscosity-pressure relation are especially...

Evaluation of methods for viscosity simulations of lubricants at different temperatures and pressures: a case study on PAO-2

Metering apparatus combining a motor operated by a first liquid, and a pump driven by the motor to meter a selectably variable volume of a second liquid. The motor has a liquid-operated piston and a shuttle valve to control the flow of operating liquid to the piston. The piston drives a pump actuating rod which, in turn, engages a floating pump piston. The effective stroke of the floating pump piston can be varied to adjust the volume of liquid pumped in response to each cycle of the motor.

Liquid metering pump

A single parameter, the pressure–viscosity coefficient, α, quantifies the pressure dependence of the viscosity of the liquid in elastohydrodynamic lubrication (EHL). Most published values of α have not been obtained from measurements of viscosity as a function of pressure. Rather, these effective pressure–viscosity coefficients have been derived from the measurement of the EHL film thickness, a more difficult procedure. In this article, five well-characterized liquids that should be Newtonian in the EHL inlet are identified for which film-derived coefficients have been reported. These coefficients are compared with coefficients derived from published viscosity correlations and new viscosity measurements. The film-derived coefficients are found to not be an accurate representation of the piezoviscous response. The procedure of deriving a pressure–viscosity coefficient from a film thickness measurement does not offer an alternative to the simpler and easier viscometer measurement. Copyright © 2014 John Wiley & Sons, Ltd.

Scott Bair

Papers

The rheological assumptions of classical EHL: What went wrong?

Reynolds Equations for Common Generalized Newtonian Models and an Approximate Reynolds-Carreau Equation:

Evaluation of methods for viscosity simulations of lubricants at different temperatures and pressures: a case study on PAO-2

Liquid metering pump

A critical evaluation of film thickness-derived pressure-viscosity coefficients