نتایج جستجو برای: lattice parameters

تعداد نتایج: 665019  

B. Dole, V. Mote,

Mn doped ZnO nanocrystals were prepared by co-precipitation route sintered at 450 °C temperature. XRD results indicate that the samples having hexagonal (wurtzite) structure. From X-ray data it is found that the lattice parameters increase with increasing Mn concentration. The X-ray density decreases with increasing Mn concentration of Zn 1-x Mnx O nanocrystals. It indicates that the Mn...

Structural and electronic properties of double perovskites Sr2BWO6 (B = Co, Ni, Cu)  were studied  for each of three magnetic configurations nonmagnetic, ferromagnetic, and antiferromagnetic by using density functional theory in generalized gradient approximations (GGA) and strong correlation correction (GGA + U). Due to magnetic transition from antiferromagnetic to nonmagnetic phase, an electr...

In this work, for better understanding of drug delivery systems, blood flow over a ceramic nanoparticle is investigated through microvessels. Drug is considered as a nanoparticle coated with the rigid ceramic. Due to the low characteristic size in the microvessel, the fluid flow is not continuum and the no-slip boundary condition cannot be applied. To solve this problem lattice Boltzmann method...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 1996

2009
S. Q. Zhou D. M. Ceperley

We propose a method to construct localized single-particle wave functions using imaginary time projection and thereby determine lattice Hamiltonian parameters. We apply the method to a specific disordered potential generated by an optical lattice experiment and calculate for each instance of disorder the equivalent lattice model parameters. The probability distributions of the Hubbard parameter...

Journal: :Ultramicroscopy 2003
W Qin P Fraundorf

Lattices in three dimensions are oft studied from the "reciprocal space" perspective of diffraction. Today, the full lattice of a crystal can often be inferred from direct-space information about three sets of non-parallel lattice planes. Such data can come from electron-phase (or less easily Z contrast images) taken at two tilts, provided that one image shows two non-parallel lattice periodici...

Ramin Bozorgmehry Boozarjomehry, Saeid Jamshidi Sayed Mohmoud Reza Pishvaie

Pore network modeling uses a network of pores connected by throats to model the void space of a porous medium and tries to predict its various characteristics during multiphase flow of various fluids. In most cases, a non-realistic regular lattice of pores is used to model the characteristics of a porous medium. Although some methodologies for extracting geologically realistic irregular net...

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