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

Premises of creation of Internet portal designed to provide access to participants of educational and scientific process for the joint creation, consolidation, concentration and rapid spreading of educational and scientific information resources in its own depository are considered. CMS-based portal content management systems’ potentiality is investigated. Architecture for Internet portal of MES of Ukraine’s information resources is offered.

Створення порталу інформаційно-довідкових ресурсів міністерства освіти і науки україни

Characterization and Properties of Natural Fiber Polymer Composites: A Comprehensive Review

Rapid innovation in nanotechnology in recent years enabled development of advanced metal matrix nanocomposites for structural engineering and functional devices. Carbonous materials, such as graphite, carbon nanotubes (CNT's), and graphene possess unique electrical, mechanical, and thermal properties. Owe to their lubricious nature, these carbonous materials have attracted researchers to synthesize lightweight self-lubricating metal matrix nanocomposites with superior mechanical and tribological properties for several applications in automotive and aerospace industries. This review focuses on the recent development in mechanical and tribological behavior of self-lubricating metallic nanocomposites reinforced by carbonous nanomaterials such as CNT and graphene. The review includes development of self-lubricating nanocomposites, related issues in their processing, their characterization, and investigation of their tribological behavior. The results reveal that adding CNT and graphene to metals decreases both coefficient of friction and wear rate as well as increases the tensile strength. The mechanisms involved for the improved mechanical and tribological behavior is discussed.

Mechanical and tribological properties of self-lubricating metal matrix nanocomposites reinforced by carbon nanotubes (CNTs) and graphene – A review

Friction stir welding (FSW) is a widely used solid state joining process for soft materials such as aluminium alloys because it avoids many of the common problems of fusion welding. Commercial feasibility of the FSW process for harder alloys such as steels and titanium alloys awaits the development of cost effective and durable tools which lead to structurally sound welds consistently. Material selection and design profoundly affect the performance of tools, weld quality and cost. Here we review and critically examine several important aspects of FSW tools such as tool material selection, geometry and load bearing ability, mechanisms of tool degradation and process economics.

Review: friction stir welding tools

In this investigation an attempt has been made to understand the mechanism of friction stir weld formation and the role of friction stir welding tool in it. This has been done by understanding the material flow pattern in the weld produced in a special experiment, where the interaction of the friction stir welding tool with the base material is continuously increased. The results show that there are two different modes of material flow regimes involved in the friction stir weld formation; namely “pin-driven flow” and “shoulder-driven flow”. These material flow regimes merge together to form a defect-free weld. The etching contrast in these regimes gives rise to onion ring pattern in friction stir welds. In addition to that based on the material flow characteristics a mechanism of weld formation is proposed.

The role of friction stir welding tool on material flow and weld formation

Fundamentals of Engineering Surfaces.- Friction and Wear.- Contact Mechanics.- Experimental Methods in Tribology.- Interface Temperature of Sliding Surfaces.- Tribology of Metals and Alloys.- Tribology of Ceramics and Ceramic Matrix Composites.- Tribology of Metal Matrix Composites.- Coatings Tribology.- Fundamentals of Lubrication.- Self-Lubricating Behaviour of Graphite Reinforced Composites.- Particle Tribology.- Tribology of Solid Lubricants.- Tribology of Green Lubricants.- Nano Tribology.- Surface Probe Techniques.- Biotribology and Human Tribology.- Green and Biomimetic Tribology.- Fundamentals of Linking Tribology and Corrosion for Medical Applications.- Wear of Biomedical Implants.- Tribology in Metal Cutting.- Tribo-chemistry and Tribo-corrosion.- Tribology in Chemical-Mechanical Planarization.- Tribology in Metal Forming.- Tribology in Machine Components.- Macroscale Applications in Tribology.- Microscale Applications in Tribology.

Tribology for scientists and engineers : from basics to advanced concepts

Tribology for Scientists and Engineers

The paper reports manufacturing of a multi-layer graphene embedded composite of aluminium alloys by direct exfoliation of graphite into graphene with the help of Friction Stir Alloying (FSA). The formation of this nano composite and optimization of the process parameters led to an approximately two-fold increase in the strength, without loss in ductility, due to the dispersion of the graphene in aluminium. The manufacturing process is scalable and cost effective as it uses graphite powder and aluminium sheets as the raw materials. The presence of graphene layers in the metal matrix was confirmed using Raman spectroscopy as well as TEM. The graphene sheet thickness was measured using AFM after extracting it from the composite. Molecular dynamic simulation results reveal the evolution of newer structures and defects that have resulted in the enhanced properties of the nano-composite. These findings open up newer possibilities toward efficient and scalable manufacturing of high strength high-ductility metal matrix based graphene nano-composites.

Satish V. Kailas

Papers

The role of friction stir welding tool on material flow and weld formation

Tribology for scientists and engineers : from basics to advanced concepts

Tribology for Scientists and Engineers

Multi-layer graphene reinforced aluminum –manufacturing of high strength composite by friction stir alloying

Influence of surface texture and roughness parameters on friction and transfer layer formation during sliding of aluminium pin on steel plate