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

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

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Using Multivariate Statistics

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

The tensile strengths of individual multiwalled carbon nanotubes (MWCNTs) were measured with a “nanostressing stage” located within a scanning electron microscope. The tensile-loading experiment was prepared and observed entirely within the microscope and was recorded on video. The MWCNTs broke in the outermost layer (“sword-in-sheath” failure), and the tensile strength of this layer ranged from 11 to 63 gigapascals for the set of 19 MWCNTs that were loaded. Analysis of the stress-strain curves for individual MWCNTs indicated that the Young's modulus E of the outermost layer varied from 270 to 950 gigapascals. Transmission electron microscopic examination of the broken nanotube fragments revealed a variety of structures, such as a nanotube ribbon, a wave pattern, and partial radial collapse.

https://science.sciencemag.org/content/sci/287/5453/637.full.pdf

Strength and breaking mechanism of multiwalled carbon nanotubes under tensile load

Shock consolidation is a method that presents a bright potential but has been limited by inevitable cracking of compacts, especially for ceramics. In an effort to eliminate cracking while retaining the unique features of shock consolidation, three novel approaches have been implemented: (1) the use of local shock-induced reactions to increase the temperature of particle surfaces and to provide a bonding phase (reaction products); (2) shock densification at a low pressure (just above the threshold for pore collapse) followed by hot isostatic pressing; (3) shock consolidation of pre-heated specimens. These techniques were applied to silicon carbide. Reduction of cracking was observed with interparticle melting and reactions. Microstructural results, mechanical properties and advantages and limitations of these approaches are discussed. It is shown that shock consolidation of ceramics is inherently limited because shock-induced cracks are introduced into the process, damaging the particles. A criterion for the plastic deformation versus fracture of ceramic powders under shock consolidation is proposed.

Dynamic consolidation/hot isostatic pressing of SiC

Atractosteus spatula has been described as a living fossil (having existed for 100 Myr), retaining morphological characteristics of early ancestors such as the ability to breathe air and survive above water for hours. Its highly effective armour consists of ganoid scales. We analyse the protective function of the scales and identify key features which lead to their resistance to failure. Microstructural features include: a twisted cross-plied mineral arrangement that inhibits crack propagation in the external ganoine layer, mineral crystals that deflect cracks in the bony region in order to activate the strength of mineralized collagen fibrils, and saw-tooth ridges along the interface between the two scale layers which direct cracks away from the intrinsically weak interface. The macroscale geometry is additionally evaluated and it is shown that the scales retain full coverage in spite of minimal overlap between adjacent scales while conforming to physiologically required strain and maintaining flexibility via a process in which adjacent rows of scales slide and concurrently reorient.

https://royalsocietypublishing.org/doi/pdf/10.1098/rsif.2016.0595

Microstructural and geometric influences in the protective scales of Atractosteus spatula

Bioinspired avian feather designs

Shock waves and high-strain-rate phenomena in metals : concepts and applications : [proceedings of an International Conference on Metallurgical Effects of High-Strain-Rate Deformation and Fabrication, held June 22-26, 1980, in Albuquerque, New Mexico

Marc A. Meyers

Papers

Dynamic consolidation/hot isostatic pressing of SiC

Microstructural and geometric influences in the protective scales of Atractosteus spatula

Bioinspired avian feather designs

Shock waves and high-strain-rate phenomena in metals : concepts and applications : [proceedings of an International Conference on Metallurgical Effects of High-Strain-Rate Deformation and Fabrication, held June 22-26, 1980, in Albuquerque, New Mexico

The effects of temperature and pulse duration on the shock-loading response of nickel