Dynamic simulation of particulate and molecular systems
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[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT AUTHOR'S REQUEST.] Granular packing of millimeter-scale and micrometer-scale particles with three different size distributions (monosize, bimodal and Gaussian) are studied using the Distinct Element Method (DEM). The dissipative forces including viscoelastic and frictional contact forces between the colliding particles cause the energy loss during the packing process, and finally the particles agglomerations is formed. When the particle diameter is less than 100 micrometers, the van der Waals force needed to be incorporated into simulation. To qualitatively measure the final granular structure, coordination number, porosity, radial distribution function and force distribution are calculated. As to millimeter-scale particles packing structures, the contact force distribution is studied. As to micrometer-scale particles packing structures, both contact force and van der Waals force distributions are studied. Molecular dynamics simulation of nanofluid system composed of argon liquid and copper nanoparticle is carried out. To ensure the interatomic force gradually decreases to zero at the cut-off distance, Stoddard and Ford potential function is employed. Green-Kubo method is used to obtain the thermal conductivity. The characteristics of the heat current are measured by its mean value, variance, third moment, and Shannon entropy. Autocorrelation and partial autocorrelation functions of the heat current are used to investigate the correlation between the discrete heat current values with different lags.
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