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

Due to the recent expanding interest in two-dimensional layered materials, molybdenum disulfide (MoS2) has been receiving much research attention. Having an ultrathin layered structure and an appreciable direct band gap of 1.9 eV in the monolayer regime, few-layer MoS2 has good potential applications in nanoelectronics, optoelectronics, and flexible devices. In addition, the capability of controlling spin and valley degrees of freedom makes it a promising material for spintronic and valleytronic devices. In this review, we attempt to provide an overview of the research relevant to the structural and physical properties, fabrication methods, and electronic devices of few-layer MoS2. Recent developments and advances in studying the material are highlighted.

Few-Layer MoS2: A Promising Layered Semiconductor

A critical assessment of surface texturing for friction and wear improvement

Tribocorrosion is an irreversible transformation of a material resulting from simultaneous physico-chemical and mechanical surface interactions in a tribological contact. Electrochemical methods are well suited for the study of tribocorrosion phenomena because they allow one to simulate the corrosive effect of the environment by imposing a fixed potential. Furthermore, the measurement of the anodic current permits one to determine the amount of material removed by oxidation as opposed to mechanical wear. In the present paper, experimental and theoretical aspects of applying electrochemical methods in tribology are discussed and recent results obtained with passivating metals in the authors' laboratory are presented. The importance of controlling the mechanical parameters and the contact geometry is stressed, and it is shown that these parameters can significantly affect the electrochemical response of a tribocorrosion system.

Electrochemical methods in tribocorrosion: a critical appraisal

The reach of tribology has expanded in diverse fields and tribology related research activities have seen immense growth during the last decade. This review takes stock of the recent advances in research pertaining to different aspects of tribology within the last 2 to 3 years. Different aspects of tribology that have been reviewed including lubrication, wear and surface engineering, biotribology, high temperature tribology, and computational tribology. This review attempts to highlight recent research and also presents future outlook pertaining to these aspects. It may however be noted that there are limitations of this review. One of the most important of these is that tribology being a highly multidisciplinary field, the research results are widely spread across various disciplines and there can be omissions because of this. Secondly, the topics dealt with in the field of tribology include only some of the salient topics (such as lubrication, wear, surface engineering, biotribology, high temperature tribology, and computational tribology) but there are many more aspects of tribology that have not been covered in this review. Despite these limitations it is hoped that such a review will bring the most recent salient research in focus and will be beneficial for the growing community of tribology researchers.

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A review of recent advances in tribology

Self-lubricating materials are becoming more widespread in fields like metal forming or power generation due to the inability to use conventional lubricants in high-temperature (HT) applications. I...

Tribological behaviour of self-lubricating materials at high temperatures

Surface engineering of Ti6Al4V surfaces for enhanced tribocorrosion performance in artificial seawater

The use of lasers for creating defined textured patterns on surfaces has steadily gained attention during the past decade. These textures can contribute to friction reduction by acting as a reservoir for lubricant, hydrodynamic bearing and trap for wear debris. In the present work, titanium alloy surfaces were textured using a nanosecond pulsed laser and subsequently coated with MoS2. The samples were tested under dry reciprocating sliding conditions using two different oscillation amplitudes. During the test, the evolution of the coefficient of friction as a function of the number of cycles was measured until coating failure. The influence of the dimple distance on friction and lifetime was evaluated and verified by post-mortem analyses of the samples using optical, confocal and SEM microscopy as well as EDS and XPS analyses. The results show that under certain conditions, surface texturing can reduce friction, extend the lifetime of the coating and provide a progressive coating degradation until failure.

Manel Rodríguez Ripoll

Papers

Tribological behaviour of self-lubricating materials at high temperatures

Surface engineering of Ti6Al4V surfaces for enhanced tribocorrosion performance in artificial seawater

Friction and Lifetime of Laser Surface–Textured and MoS2-Coated Ti6Al4V Under Dry Reciprocating Sliding

The role of niobium in improving toughness and corrosion resistance of high speed steel laser hardfacings

Tribocorrosion behaviour of Ti6Al4V in artificial seawater at low contact pressures