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

Adiabatic shear localization in the CrMnFeCoNi high-entropy alloy

Ballistic impact experiments were conducted on 12.5 mm thick commercial purity titanium and Ti-6 pct Al-4 pct V alloy plates using steel “stepped” projectiles with 10.5 mm diameter. The impact velocities varied between 578 m per second and 846 m per second, and a flash X-ray technique was used to determine projectile velocity and to assure the normality of impact. The microstructural damage mechanisms associated with impact (shear band formation, shock wave propagation, and dynamic fracture) were analyzed by optical, and scanning and transmission electron microscopy. Elliptical and spherical cavities were observed along the bands. Microindentation hardness differences between the bands and adjacent regions were slight for the targets; for the projectiles, the hardness in the band was significantly lower than that of surrounding regions. Observation of the fractured regions along the bands showed unique features indicating possible melting. Transmission-electron microscopy of a shear band in titanium revealed microcrystalline features (∼0.3 µm diameter) with poorly defined grain boundaries.

Adiabatic shear localization in titanium and Ti-6 pct Al-4 pct V alloy

http://www.meyersgroup.ucsd.edu/papers/journals/Meyers%2028.pdf

A mechanism for dislocation generation in shock-wave deformation

http://www.meyersgroup.ucsd.edu/papers/journals/Meyers%20248.pdf

Explosive welding of aluminum to aluminum: analysis, computations and experiments

/pdf/mechanical-properties-and-structure-of-strombus-gigas-4c93mmai93.pdf

Marc A. Meyers

Papers

Adiabatic shear localization in the CrMnFeCoNi high-entropy alloy

Adiabatic shear localization in titanium and Ti-6 pct Al-4 pct V alloy

A mechanism for dislocation generation in shock-wave deformation

Explosive welding of aluminum to aluminum: analysis, computations and experiments

Mechanical properties and structure of Strombus gigas, Tridacna gigas, and Haliotis rufescens sea shells: A comparative study