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Parallel Molecular Dynamics Simulation For Ultraprecision Cutting

Posted on:2006-11-04Degree:MasterType:Thesis
Country:ChinaCandidate:X M ZhengFull Text:PDF
GTID:2121360182975149Subject:Mechanical and electrical engineering
Abstract/Summary:PDF Full Text Request
With the development of science and technology, Ultraprecision manufacturingtechnique has advanced rapidly from the traditional micrometer manufacturing to thenanometer manufacturing. The computer simulation of molecular dynamics plays animportant role in validating the experiment result, contacting macrocosmic andmicrocosmic field. But this technique is restricted by small simulation model, slowcalculating speed etc. Therefore, a new technology is cried for to extend theapplication of the original computer simulation. There comes the parallelprogramming simulation of molecular dynamics. This technique combines parallelprogramming with the computer simulation of molecular dynamics. It can largen themodel, improve the speed, make the model much more close to the reality, andaccelerate the research of ultraprecision manufacturing microcosmic mechanism.This paper focuses on the research of the combination of the parallelprogramming and the computer simulation of molecular dynamics based onmachining field. The machining process is simulated by computer simulation ofmolecular dynamics under linux system. This may provide credible database for theresearch of microcosmic cutting mechanism.Three different parallel program arithmetics are introduced in this paper. Theoptimal one is chosen to program in the computer language FORTRAN and the MPI.The results of the parallel programs are compared with that of the serial programs totest their correctness. In addition, orthogonal test is done by simulating the cuttingprocess of different tool angle, cutting temperature and different cutting speed.Meanwhile, the starting and ending time of every program are also registered. Notonly the corresponding relationship between the target and the parameters but also theadvantages of the parallel programming are deeply studied.
Keywords/Search Tags:Molecular dynamics, Parallel programming, computer simulation, MPI, Ultraprecision cutting
PDF Full Text Request
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