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Multi-scale simulation of drying process for porous materials using molecular dynamics(part 2: material properties)

  • Journal of the Korean Crystal Growth and Crystal Technology
  • Abbr : J. Korean Cryst. Growth Cryst. Technol.
  • 2005, 15(4), pp.152-167
  • Publisher : The Korea Association Of Crystal Growth, Inc.
  • Research Area : Engineering > Materials Science and Engineering

Seongmin Baik 1 Young Tag Keum 1

1한양대학교

Accredited

ABSTRACT

As the properties of porous materials during the drying process relate to the atomistic defects of heterogeneous materials such as dislocation, grain, grain boundary, pore, etc., the knowledge of nano-scale analysis is needed in order to accurately analyze the drying process for porous materials. In this study, the atomic behavior of porous materials is statically predicted by using the molecular dynamics simulation and the nano-scale material properties are computed. The elastic modulus, thermal expansion coefficient, and volumetric heat capacity numerically found from the molecular dynamics simulation are compared with those of experiment and theory and proved the accuracy.

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