Mahmud Ashrafizaadeh

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Molecular dynamics simulations are used to study the dynamics and transport properties of 12 room-temperature ionic liquids of the 1-alkyl-3-methylimidazolium [amim](+) (alkyl = methyl, ethyl, propyl, and butyl) family with PF(6)(-), NO(3)(-), and Cl(-) counterions. The explicit atom transferable force field of Canongia Lopes et al. [J. Phys. Chem. B 108,(More)
The lattice Boltzmann method is employed for simulating the binary flow of Oxygen/Nitrogen mixture passing through a highly dense bed of spherical particles. Simulations are performed based on the latest proposed entropic lattice Boltzmann model for multi-component flows, using the D3Q27 lattice stencil. The curved solid boundary of the particles is(More)
Guest molecules in nonspherical cages of inclusion compounds can possess non-uniform spatial distributions and motion. This can lead to anisotropic lineshapes in the solid-state NMR spectra of the guest species. In this work, we use our previously developed molecular dynamics-based methodology to calculate the lineshape anisotropy of guest CO species in(More)
A systematic molecular dynamics study is performed to determine the dynamics and transport properties of 12 room-temperature ionic liquids family with 1-alkyl-3-methylimidazolium cation, [amim](+) (alkyl = methyl, ethyl, propyl, and butyl), with counterions, PF(6)(-), NO(3)(-), and Cl(-). The goal of the work is to provide molecular level understanding of(More)
A new graphical method is developed to calculate the critical temperature of 2and 3-dimensional Ising models as well as that of the 2-dimensional Potts models. This method is based on the transfer matrix method and using the limited lattice for the calculation. The reduced internal energy per site has been accurately calculated for different 2-D Ising and(More)
In this work, a 19-bit Incompressible Generalized Lattice Boltzmann (IGLB) method has been proposed for threedimensional incompressible fluid flow simulation, for the first time. Equilibrium moments in moment space are derived from an incompressible BGKLB method. The incompressible Navier–Stokes equations can be recovered through the Chapman-Enskog(More)
a r t i c l e i n f o a b s t r a c t In this work we show how Artificial Intelligence (AI) could effectively be used to expedite the decision making process in the early stages of the aircraft design process. We employ both Fuzzy Logic (FL) and Neural Network (NN) as two different schemes of the AI. The developed tools are intended to help to select the(More)