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

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

An introduction to heat transfer

Solar Engineering Of Thermal Processes

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Numerical Heat Transfer And Fluid Flow

This article has been retracted: please see Elsevier Policy on Article Withdrawal (https://www.elsevier.com/about/our-business/policies/article-withdrawal). This article has been retracted at the request of the Editors-in-Chief. Following an investigation of this and related papers, the Editors-in-Chief no longer have confidence in the scientific integrity of this paper, as the same set of images have been used in various articles in multiple journals claiming varying conditions, which violates our publishing policies. In this article, four sets of the exact same XRD results are presented as in two other publications, only for completely different materials. Communication with one co-author, Jorge De Brito, raised further concerns about the integrity of this work, to the extent that he expressed no longer having confidence in the content of the article. 

RETRACTED: Retraction notice to ‘Influence of polypropylene fibres on the thermal and acoustic behaviour of untreated coal coarse aggregates concrete’

Simulation of nanofluid flow in a solar panel cooling system to investigate the panel's electrical-thermal efficiency with artificial neural network

Retraction notice to “The effect of polypropylene fibres on the compressive strength, impact and heat resistance of self-compacting concrete” [Struct. 25C (2020) 72–87]

Arash Karimipour

Papers

RETRACTED: Retraction notice to ‘Influence of polypropylene fibres on the thermal and acoustic behaviour of untreated coal coarse aggregates concrete’

Simulation of nanofluid flow in a solar panel cooling system to investigate the panel's electrical-thermal efficiency with artificial neural network

Retraction notice to “The effect of polypropylene fibres on the compressive strength, impact and heat resistance of self-compacting concrete” [Struct. 25C (2020) 72–87]