There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

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

Recently sulfate radical-based advanced oxidation processes (SR-AOPs) attract increasing attention due to their capability and adaptability in decontamination. The couple of cobalt and peroxymonosulfate (PMS) is an efficient way to produce reactive sulfate radicals. This article reviews the state-of-the-art progress on various heterogeneous cobalt-based catalysts for PMS activation, including cobalt oxides, cobalt-ferrite and supported cobalt by diverse substrates. We summarize the intrinsic properties of these catalysts and their fundamental behaviors in PMS activation, as well as synthetic approaches. In addition, influencing factors and synergistic techniques of Co/PMS systems in organic degradation and possible environmental applications are also discussed. Finally, we propose perspectives on challenges related to cobalt-based catalysts, heterogeneous Co/PMS systems and their potential applications in practical environmental cleanup.

Cobalt-catalyzed sulfate radical-based advanced oxidation: A review on heterogeneous catalysts and applications

One-dimensional carbon nanotubes and two-dimensional graphene nanosheets with unique electrical, mechanical and thermal properties are attractive reinforcements for fabricating light weight, high strength and high performance metal-matrix composites. Rapid advances of nanotechnology in recent years enable the development of advanced metal matrix nanocomposites for structural engineering and functional device applications. This review focuses on the recent development in the synthesis, property characterization and application of aluminum, magnesium, and transition metal-based composites reinforced with carbon nanotubes and graphene nanosheets. These include processing strategies of carbonaceous nanomaterials and their composites, mechanical and tribological responses, corrosion, electrical and thermal properties as well as hydrogen storage and electrocatalytic behaviors. The effects of nanomaterial dispersion in the metal matrix and the formation of interfacial precipitates on these properties are also addressed. Particular attention is paid to the fundamentals and the structure–property relationships of such novel nanocomposites.

Wenbin Hu

Papers

Graphene–nickel composites

The friction and wear of electroless Ni–P matrix with PTFE and/or SiC particles composite

A study on composite honeycomb sandwich panel structure

Effect of heating rate on ferrite recrystallization and austenite formation of cold-roll dual phase steel

Friction and wear properties of short carbon fiber reinforced aluminum matrix composites