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

การวจยเชงคณภาพ เปนเครองมอสำคญอยางหนงสำหรบทำความเขาใจสงคมและพฤตกรรมมนษย การวจยแบบการสรางทฤษฎจากขอมล กเปนหนงในหลายระเบยบวธการวจยเชงคณภาพทกำลงไดรบความสนใจ และเปนทนยมเพมสงขนเรอยๆ จากนกวชาการ และนกวจยในสาขาสงคมศาสตร และศาสตรอนๆ เชน พฤตกรรมศาสตร สงคมวทยา สาธารณสขศาสตร พยาบาลศาสตร จตวทยาสงคม ศกษาศาสตร รฐศาสตร และสารสนเทศศกษา ดงนน หนงสอเรอง “ConstructingGrounded Theory: A Practical Guide through Qualitative Analysis” หรอ “การสรางทฤษฎจากขอมล:แนวทางการปฏบตผานการวเคราะหเชงคณภาพ” จะชวยใหผอานมความรความเขาใจถงพฒนาการของปฏบตการวจยแบบสรางทฤษฎจากขอมล ตลอดจนแนวทาง และกระบวนการปฏบตการวจยอยางเปนระบบ จงเปนหนงสอทควรคาแกการอานโดยเฉพาะนกวจยรนใหม เพอเปนแนวทางในการนำความรความเขาใจไประยกตในงานวจยของตน อกทงนกวจยผเชยวชาญสามารถอานเพอขยายมโนทศนดานวจยใหกวางขวางขน

Constructing Grounded Theory: A Practical Guide through Qualitative Analysis

This chapter introduces the finite element method (FEM) as a tool for solution of classical electromagnetic problems. Although we discuss the main points in the application of the finite element method to electromagnetic design, including formulation and implementation, those who seek deeper understanding of the finite element method should consult some of the works listed in the bibliography section.

Introduction to the Finite Element Method

Smoothed particle hydrodynamics (SPH) is a meshfree particle method based on Lagrangian formulation, and has been widely applied to different areas in engineering and science. This paper presents an overview on the SPH method and its recent developments, including (1) the need for meshfree particle methods, and advantages of SPH, (2) approximation schemes of the conventional SPH method and numerical techniques for deriving SPH formulations for partial differential equations such as the Navier-Stokes (N-S) equations, (3) the role of the smoothing kernel functions and a general approach to construct smoothing kernel functions, (4) kernel and particle consistency for the SPH method, and approaches for restoring particle consistency, (5) several important numerical aspects, and (6) some recent applications of SPH. The paper ends with some concluding remarks.

Smoothed Particle Hydrodynamics (SPH): an Overview and Recent Developments

Multidisciplinary design optimization is a field of research that studies the application of numerical optimization techniques to the design of engineering systems involving multiple disciplines or components. Since the inception of multidisciplinary design optimization, various methods (architectures) have been developed and applied to solve multidisciplinary design-optimization problems. This paper provides a survey of all the architectures that have been presented in the literature so far. All architectures are explained in detail using a unified description that includes optimization problem statements, diagrams, and detailed algorithms. The diagrams show both data and process flow through the multidisciplinary system and computational elements, which facilitate the understanding of the various architectures, and how they relate to each other. A classification of the multidisciplinary design-optimization architectures based on their problem formulations and decomposition strategies is also provided, a...

Multidisciplinary design optimization: A survey of architectures

Particle swarm approach for structural design optimization

This paper presents the evaluation of different MDO architectures using an extended set of metrics, which take into consideration optimization and formulation structure characteristics. Demonstrative comparisons are made for analytic and supersonic business jet conceptual design examples. Results show the promising features of the proposed evaluation metrics to define a standardized guideline when dealing with multidisciplinary optimization formulations which can be applied to aircraft conceptual design problems.

Evaluation of Multidisciplinary Optimization Approaches for Aircraft Conceptual D esign

http://ciar.org/ttk/mbt/papers/lakowski.2006-09/Comp.Structure_Vol-63_pp387-395.pdf

Numerical simulation of normal and oblique ballistic impact on ceramic composite armours

The work described in this paper was supported by National Natural Science Foundation of China (Grant no. 11972204) and Natural Sciences and Engineering Research Council of Canada (NSERC under grant RGPIN-217525). The authors are grateful for their supports.

/pdf/graphene-and-cnt-impact-on-heat-transfer-response-of-31qq2h1cca.pdf

Kamran Behdinan

Papers

Particle swarm approach for structural design optimization

Evaluation of Multidisciplinary Optimization Approaches for Aircraft Conceptual D esign

Numerical simulation of normal and oblique ballistic impact on ceramic composite armours

Graphene and CNT impact on heat transfer response of nanocomposite cylinders

Vibration characteristics of rotating pretwisted composite tapered blade with graphene coating layers