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

Tooth structure, mechanical properties, and diet specialization of Piranha and Pacu (Serrasalmidae): A comparative study.

Consolidation of rapidly solidified titanium alloy powders employing explosively generated shock pressures was carried out successfully. The cylindrical explosive consolidation technique was utilized, and compacts with densities in the range 97 to 100% were produced. Better consolidation (with more interparticle melting regions and less cracking) was achieved by using a double tube design in which the outer tube (flyer tube) was explosively accelerated, impacting the powder container. Optical and transmission electron microscopy observations were carried out to establish microstructural properties of the products. It was observed that consolidation is achieved by interparticle melting occurring during the process. The interior of the particles in Ti-17 alloy exhibited planar arrays of dislocations and twin-like features characteristic of shock loading. Two dominant types of microstructures (lath and equiaxed) were observed both in Ti-662 and Ti-6242 + 1% Er compacts, and very fine erbia (Er2O3) particles were seen in the latter alloy. The micro-indentation hardness of the consolidated products was found to be higher than that of the as-received powder material; and the yield and ultimate tensile strengths were found to be approximately the same as in the as-cast and forged conditions. The ductilities (as measured by the total elongation) of the shockcompacted materials were much lower than those of the cast or forged alloys. Hot isostatic pressing of the shock-consolidated alloys increased their ductility. This enhancement in ductility is thought to be due to the closure of existing cracks. These excellent mechanical properties are a consequence of strong interparticle bonding between individual powder particles. It was also established that scaling up the powder compacts in size is possible and compacts with 50, 75, and 100 mm diameter were successfully produced.

Dynamic consolidation of rapidly solidified titanium alloy powders by explosives

Proceedings of the 3rd Pan American Materials Congress

Plastic Deformation in Laser-Induced Shock Compression of Monocrystalline Copper

It is a well-known fact that the mechanical response of metals depends upon the temperature, the velocity of deformation, the previous deformation undergone, and the stress state, among other parameters. As a result, various attempts have been made to incorporate these parameters into a single equation that would have the capability of predicting the response of a specific metal under a wide range of circumstances.

Marc A. Meyers

Papers

Tooth structure, mechanical properties, and diet specialization of Piranha and Pacu (Serrasalmidae): A comparative study.

Dynamic consolidation of rapidly solidified titanium alloy powders by explosives

Proceedings of the 3rd Pan American Materials Congress

Plastic Deformation in Laser-Induced Shock Compression of Monocrystalline Copper

Metallurgical Effects of Shock and Pressure Waves in Metals