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

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

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 American Society for Testing and Materials (ASTM) is an independent organization devoted to the development of standards.

American Society for Testing and Materials

The extensive development of electronic systems and telecommunications has lead to major concerns regarding electromagnetic pollution. Motivated by environmental questions and by a wide variety of applications, the quest for materials with high efficiency to mitigate electromagnetic interferences (EMI) pollution has become a mainstream field of research. This paper reviews the state-of-the-art research in the design and characterization of polymer/carbon based composites as EMI shielding materials. After a brief introduction, in Section 1, the electromagnetic theory will be briefly discussed in Section 2 setting the foundations of the strategies to be employed to design efficient EMI shielding materials. These materials will be classified in the next section by the type of carbon fillers, involving carbon black, carbon fiber, carbon nanotubes and graphene. The importance of the dispersion method into the polymer matrix (melt-blending, solution processing, etc.) on the final material properties will be discussed. The combination of carbon fillers with other constituents such as metallic nanoparticles or conductive polymers will be the topic of Section 4. The final section will address advanced complex architectures that are currently studied to improve the performances of EMI materials and, in some cases, to impart additional properties such as thermal management and mechanical resistance. In all these studies, we will discuss the efficiency of the composites/devices to absorb and/or reflect the EMI radiation.

Polymer/carbon based composites as electromagnetic interference (EMI) shielding materials

A model for the axisymmetric growth and coalescence of small internal voids in elastoplastic solids is proposed and assessed using void cell computations. Two contributions existing in the literature have been integrated into the enhanced model. The first is the model of Gologanu-Leblond-Devaux, extending the Gurson model to void shape effects. The second is the approach of Thomason for the onset of void coalescence. Each of these has been extended heuristically to account for strain hardening. In addition, a micromechanically-based simple constitutive model for the void coalescence stage is proposed to supplement the criterion for the onset of coalescence. The fully enhanced Gurson model depends on the flow properties of the material and the dimensional ratios of the void-cell representative volume element. Phenomenological parameters such as critical porosities are not employed in the enhanced model. It incorporates the effect of void shape, relative void spacing, strain hardening, and porosity. The effect of the relative void spacing on void coalescence, which has not yet been carefully addressed in the literature. has received special attention. Using cell model computations, accurate predictions through final fracture have been obtained for a wide range of porosity, void spacing, initial void shape, strain hardening, and stress triaxiality. These predictions have been used to assess the enhanced model. (C) 2000 Elsevier Science Ltd. All rights reserved.

An extended model for void growth and coalescence

Failure of metals I : brittle and ductile fracture

An extended model for void growth and coalescence - application to anisotropic ductile fracture

This paper describes the spontaneous formation of patterns of aligned buckles in a thin film of gold deposited on the surface of an elastomer [poly(dimethylsiloxane), PDMS]. The surface of the elastomer is patterned photochemically into areas differing in stiffness and coefficient of thermal expansion. The gold is deposited while the surface of the patterned elastomer is warm (T ∼ 100 °C). On cooling, shrinkage in the elastomer places the gold film under compressive stress. The buckles relieve this compressive stress. The distribution of stresses and buckle patterns is described during the pre- and postbuckling regimes using solutions from calculations describing a model comprising a thin stiff plate resting on a thick elastic foundation.

Thomas Pardoen

Papers

Polymer/carbon based composites as electromagnetic interference (EMI) shielding materials

An extended model for void growth and coalescence

Failure of metals I : brittle and ductile fracture

An extended model for void growth and coalescence - application to anisotropic ductile fracture

Ordering of Spontaneously Formed Buckles on Planar Surfaces