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The Study of Pores and Free Volume in Amorphous Models

In: Modeling, Simulation and Optimization of Complex Processes

Author

Listed:
  • Pham Khac Hung

    (Hanoi University of Technology, Institute of Engineering Physics)

  • Vo Van Hoang

    (National University of HoChiMinh City, Department of Physics)

  • Hoang Van Hue

    (Hanoi University of Technology, Institute of Engineering Physics)

  • Le Van Vinh

    (Hanoi University of Technology, Institute of Engineering Physics)

  • Ngyuen Van Hong

    (Hanoi University of Technology, Institute of Engineering Physics)

Abstract

Summary We presented the results of computing simulation of microspores and free volumes surrounding an atom in the amorphous model which constructed by statistic relaxation method on parallel computers. On purpose to accurately determine the amount of vacancy-like pores, several models containing from 104 to 4.105 atoms with boundary periodic condition have been constructed corresponding to the density of 85.56 atoms/nm 3 or 83.90 atoms/nm 3. The calculations showed that amorphous models have about 0.0009–0.0075 vacancy-like pores per atom depending on the atomic density and local metstable states.

Suggested Citation

  • Pham Khac Hung & Vo Van Hoang & Hoang Van Hue & Le Van Vinh & Ngyuen Van Hong, 2005. "The Study of Pores and Free Volume in Amorphous Models," Springer Books, in: Hans Georg Bock & Hoang Xuan Phu & Ekaterina Kostina & Rolf Rannacher (ed.), Modeling, Simulation and Optimization of Complex Processes, pages 215-223, Springer.
    • Handle: RePEc:spr:sprchp:978-3-540-27170-3_17
    DOI: 10.1007/3-540-27170-8_17
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