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

Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

Phd by thesis

Physical metallurgy of Ti–Ni-based shape memory alloys

A review of shape memory alloy research, applications and opportunities

Perspectives on Titanium Science and Technology

Recent developments in the research of shape memory alloys

Shape Memory Materials

Transformation pseudoelasticity and deformation behavior in a Ti-50.6at%Ni alloy

Recent development of shape memory alloys is reviewed, emphasis being placed on theTi–Ni, Cu–based and ferrous alloys which are considered as practical materials for applications among many shape memory alloys. Crystal structures of the parent and martensitic phases are described, and the crystallography of the martensitic transformations is also briefly explained. The origins of the shape memory effect and the shape memory mechanisms are discussed on the basis of the crystal structure and the crystallography of the martensitic transformations. Since an applied stress also induces the martensitic transformations, successive stages of the martensitic transformations are reviewed briefly in Cu–based and Ti–Ni alloys, which show martensite-to-martensite transformations upon loading. Then, characterization of the shape memory alloys are reviewed in detail; i.e., phase diagrams, transformation temperatures, transformation process, stress-induced transformation, aging effects, cycling effects, fracture, fatigue, grain refinement, and so on.

Development of Shape Memory Alloys

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