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The Study of Molecular Dynamics Parallel Simulation in Monocrystalline Silicon Grinding

Author: LiShiQiao
Tutor: GuoDongMing；KangRenKe
School: Dalian University of Technology
Course: Mechanical Manufacturing and Automation
Keywords: Ultra-precision grinding Molecular dynamics simulation Parallel algorithms Domain Decomposition Method
CLC: TG580.6
Type: Master's thesis
Year: 2006
Downloads: 326
Quote: 3
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Abstract


Monocrystalline silicon ultra-precision machining technology is the fundamental guarantee for the development of electronic information industry, ultra-precision grinding technology is the forefront of monocrystalline silicon ultra-precision machining technology. The use of molecular dynamics simulation of ultra-precision machining process to be able to solve the traditional cutting theory difficult to explain the problem of nanoscale ultra-precision machining mechanism, numerical calculation instead of processing experiments to overcome the ultra-precision machining experiment is difficult to achieve and the difficulties of monitoring and control. Parallel computing to solve the limitations of serial molecular dynamics simulation of a long time, and small-scale simulation, the use of molecular dynamics simulation method of monocrystalline silicon ultra-precision grinding process with a more realistic sense. Molecular dynamics parallel simulation for monocrystalline silicon ultra-precision grinding process, first create a three-dimensional molecular dynamics simulation model of the grinding process, the analysis of a single crystal silicon and ultra-precision grinding process characteristics and molecular dynamics simulation serial program to study the feasibility of molecular dynamics simulation of parallel and parallelization strategies. Then introduce a parallel algorithm for the status quo, the use of PCAM design methodologies and computational demands and simulation object characteristics, the design of the second division of the region-based domain decomposition method based molecular dynamics simulation of parallel algorithms, and simulation-specific model different, different characteristics derived by region-based secondary parallel algorithm. Performance comparison analysis, followed by-pass and bundled passed atomic information to design a bundled pass messaging strategy based on \On a the atom neighbor table list method, based on concept of atomic relatives table, to save computing time and simplify the structure of the program. Breakpoints saved and procedures designed to restart operation technology, to ensure the program terminates abnormally be able to continue to run at the breakpoint. Write visualization program, the morphology of the grinding process model of visual processing. Verify the correctness of the parallel program results and comparative analysis of the results of serial program, from the instant atom location map and system energy. In the case of the four nodes of the parallel computer, run the program, received a 3.5 speedup, parallel efficiency of 87.5%, to prove the thesis of the molecular dynamics parallel programs with good parallel efficiency. The atomic scale parallel computing division by optimizing the model and to increase the number of nodes increased from the serial one thousand to one hundred thousand, and will shorten the computing time of more than a dozen times. In the cases while increasing the number of nodes and appropriate increase simulation scale, the program running results show parallel efficiency remains substantially unchanged, and that parallel program has good scalability.

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CLC: > Industrial Technology > Metallurgy and Metal Craft > Metal cutting and machine tools > Grinding and grinding machine > General issues > Grinding process
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