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

A steady flow in a square lid-driven cavity with the presence of internal heat generation or absorption at Reynolds number, Re = 103 is investigated numerically. The left and right walls are insulated, while the top and bottom walls are kept at constant temperature Th and Tc respectively, such that Th > Tc. The top wall is moving at constant speed, U0 from left to right. The governing equations are discretized using the finite volume method and SIMPLE algorithm. Tri-diagonal matrix algorithm (TDMA) is employed to solve the algebraic equations iteratively. The streamlines and isotherms are plotted, and the heat and mass transfer rate are calculated by the Nusselt number. It is found that the presence of heat generation causes a reduction in the heat transfer from the hot wall.

Numerical study of mixed convection in a lid-driven cavity in the presence of internal heat generation/absorption

Effects of Nonuniform Permeability in Variable Bdpm Under a Sinusoidal Arrangement to Control Heat Transfer and Fluid Flow in a Channel - a Numerical Simulation

Experimental Study of Pool Boiling Heat Transfer Coefficient for DI-Water-Based Nanofluids Containing Nickel Oxide in a Constant Magnetic Field

Retraction notice to “Influence of steel fibres on the flexural performance of reinforced concrete beams with lap-spliced bars” [Constructions and Building Materials 229 (2019) 116853]

Arash Karimipour

Papers

Numerical study of mixed convection in a lid-driven cavity in the presence of internal heat generation/absorption

Effects of Nonuniform Permeability in Variable Bdpm Under a Sinusoidal Arrangement to Control Heat Transfer and Fluid Flow in a Channel - a Numerical Simulation

Experimental Study of Pool Boiling Heat Transfer Coefficient for DI-Water-Based Nanofluids Containing Nickel Oxide in a Constant Magnetic Field

Retraction notice to “Influence of steel fibres on the flexural performance of reinforced concrete beams with lap-spliced bars” [Constructions and Building Materials 229 (2019) 116853]

Retraction notice to “Mechanical and durability properties of steel fibre-reinforced rubberised concrete” [Constr. Build. Mater. 257 (2020) 119463]