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.
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Hung, P.K., Van Hoang, V., Van Hue, H., Van Vinh, L., Van Hong, N. (2005). The Study of Pores and Free Volume in Amorphous Models. In: Bock, H.G., Phu, H.X., Kostina, E., Rannacher, R. (eds) Modeling, Simulation and Optimization of Complex Processes. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-27170-8_17
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DOI: https://doi.org/10.1007/3-540-27170-8_17
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-23027-4
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