• 中国计算机学会会刊
  • 中国科技核心期刊
  • 中文核心期刊

Computer Engineering & Science

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Large-scale kinetic Monte Carlo simulation
 of metal material under irradiation
 

SONG Meng-zhao,FENG Yang-de   

  1. (Department of High Performance Computing Technology and Application Development,
    Computer Network Information Center,Chinese Academy of Sciences,Beijing 100190,China)

     
  • Received:2017-01-11 Revised:2017-03-16 Online:2017-07-25 Published:2017-07-25

Abstract:

Kinetic Monte Carlo (KMC) simulation can be used to simulate the radiation effects and defect diffusion of reactor materials in nuclear power plants, which is helpful to understand and predict how microstructures and mechanical properties evolve under irradiation. We present a parallel simulation method of vacancy diffusion based on synchronous sub-lattice (SL) algorithm. We adopt a dynamic communication data update method and an adaptive time synchronization method to decrease communication frequency and load so as to achieve both accuracy and parallel efficiency. Simulation results show that the serial implementation by the SL algorithm saves the total execution time by 60.31% in comparison with the original algorithm, and the parallel implementation achieves 39X speedup with 80 cores. The algorithm also performs well on large scale problems.
 

Key words: KMC, vacancy diffusion, SPPARKS, MPI, synchronous sub-lattice algorithm