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

We present new viscosity and equation of state (EoS) results extending to high pressures for o-terphenyl, salol, and dibutylphthalate. Using these and data from the literature, we show that the three liquids all conform to density scaling; that is, their reduced viscosities and reorientational relaxation times are a function of the ratio of temperature and density with the latter raised to a constant. Moreover, the functional form of the dependence on this ratio is independent of the experimental probe of the dynamics. This means that there is no decoupling of the viscosities and relaxation times over the measured range of conditions. Previous literature at odds with these results was based on erroneous extrapolations of the EoS or problematic diamond anvil viscosity data. Thus, there are no exceptions to the experimental fact that every non-associated liquid complies with density scaling with an invariant scaling exponent.

Density scaling and decoupling in o-terphenyl, salol, and dibutyphthalate

The recent move toward physics-based elastohydrodynamics promises to yield advances in the understanding of the mechanisms of friction and film generation that were not possible a few years ago. However, the accurate correlation of the low-shear viscosity with temperature and pressure is an essential requirement. The Ashurst-Hoover thermodynamic scaling, which has been useful for thermal elastohydrodynamic simulation, is normalized here in a manner that maps the viscosity of three widely different liquids onto a master Stickel curve. The master curve can be represented by a combination of two exponential power law terms. These may be seen as expressions of different molecular interaction mechanisms similar to the two free-volume models of Batschinski-Hildebrand and Doolittle, respectively. The new correlation promises to yield more reasonable extrapolations to extreme conditions of temperature and pressure than free-volume models, and it removes the singularity that has prevented wide acceptance of free-volume models in numerical simulations. [DOI: 10.1115/1.4005374]

Normalized Ashurst-Hoover Scaling and a Comprehensive Viscosity Correlation for Compressed Liquids

A water filtration system, and a filter and timer therefor. The system includes a primary container (10) defining a holding chamber (16) and a secondary container (22) defining a filtering chamber (24) at least partially within the holding chamber but spaced above the bottom wall (12) of the holding chamber. The filter assembly (38) is removably connected to the secondary container and comprises a canister containing a filter disposed generally below the lower end of the filtering chamber, the canister having inlet means (50) communicating with the filtering chamber and outlet means (54) disposed below the inlet means and communicating with the holding chamber. The timer is connected to the filter and includes a tube (56) with an indicator (70) movable longitudinally therein through a non-gaseous fluid having a specific gravity different than that of the indicator.

Drinking water filter

An apparatus to simulate the thermal behavior of a tapered roller bearing was constructed and used to determine tapered roller bearing thermal behavior. Bearing specimens can be loaded axially and/or radially while rotating. Shaft heating is also provided and mechanical losses measured. An infrared scanner and thermocouples allow for temperature measurement. An analytical model of the bearing and bearing/housing system was also developed and is presented. The model is capable of considering various modes of bearing operation. Experimental and theoretical resistances are compared. Typical thermal resistances from shaft to housing were found to be of the order of 1 K/W. Presented as an American Society of Lubrication Engineers paper at the ASLE/ASME Tribology Conference in Atlanta, Georgia, October 8–10, 1985

Thermal Resistance of a Tapered Roller Bearing

Lubricant base oils are often blends of different molecular weight cuts to arrive at a specified ambient pressure viscosity and, to improve the temperature-viscosity behavior or to simply increase the viscosity, viscosity-modifying polymer additives are often added to the base oil. This paper investigates the effect of mixture rheology on elastohydrodynamic lubrication (EHL) film thickness using EHL contact measurements and a full numerical analysis for three synthetic lubricants including two single-component lubricants PA0650 and PAO100 and a mixture of these. The pressure and shear dependences of the viscosity of these lubricants were measured with high-pressure viscometers; viscosities were not adjusted to fit experiment. The point contact film thicknesses for these lubricants in pure rolling were measured using a thin-film colorimetric interferometry apparatus. Numerical simulations based on the measured rheology show very good agreement with the measurements of film thickness while the Newtonian prediction is up to twice the measurement. These results validate the use of realistic shear-thinning and pressure-viscosity models, which originate from viscosity measurements. It is conceivable that simulation may provide a means to "engineer" lubricants with the optimum balance of film thickness and friction through intelligent mixing of components.

Scott Bair

Papers

Density scaling and decoupling in o-terphenyl, salol, and dibutyphthalate

Normalized Ashurst-Hoover Scaling and a Comprehensive Viscosity Correlation for Compressed Liquids

Drinking water filter

Thermal Resistance of a Tapered Roller Bearing

The Shear-Thinning Elastohydrodynamic Film Thickness of a Two-Component Mixture