نتایج جستجو برای: kkr
تعداد نتایج: 154 فیلتر نتایج به سال:
The principle of causality leads to linear Kramers–Kronig relations (KKR) that relate the real and imaginary parts complex modulus [Formula: see text] through integral transforms. Using multiple generalization Boltzmann superposition for nonlinear rheology, causality, we derived KKR, which order text]. For text], obtained KKR medium amplitude parallel (MAPS) rheology. A special case MAPS is osc...
The photonic band diagrams of close-packed colloidal diamond and pyrochlore structures, have been studied using Korringa-Kohn-Rostoker (KKR) and plane-wave calculations. In addition, the occurrence of a band gap has been investigated for the binary Laves structures and their constituent large- and small-sphere substructures. It was recently shown that these Laves structures give the possibility...
Computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-...
We apply to transition metal monoxides the self-interaction corrected (SIC) local spin density approximation, implemented locally in the multiple scattering theory within the Korringa-Kohn-Rostoker (KKR) band structure method. The calculated electronic structure and in particular magnetic moments and energy gaps are discussed in reference to the earlier SIC results obtained within the linear mu...
FIGURE 1. A, Three-dimensional reconstructed computed tomographic scan fabric graft was used, and both proximal and distal anastomoses were covere was inserted into the distal anastomosis, extending 10 cm down to the descen (red arrow). B, Axial computed tomographic scan shows air entrapment along th From the Department of Cardiovascular Surgery, KKR Sapporo Medical Center, and the Division of ...
این پایان نامه به تشریح روش kkr و rel.kkr می پردازد. روش kkr که به نام ابداع کنندگان آن "korringa-kohn-rostoker" نام گذاری شده است یکی از روشهای تعیین ساخترا نوار انرژی الکترونی برای بلورها و مولکولها می باشد که اساس کار آن بر روش پتانسیل مافین-تین "muffin-tin" قرار دارد و به حل معادله شرودینگر و به دست آوردن توابع موج این پتانسیل جهت به دست آوردن معادله مشخصه و تعیین ویژه مقادیر انرژی برحسب بر...
We developed a self-consistent screened-Korringa± Kohn± Rostoker (KKR) method in an ab initio tight-binding formulation. The reduction in numerical e ort in comparison with that required for the standard KKR method is achieved by the choice of a suitable reference system. Following the idea of Zeller et al. (1995, Phys. Rev. B, 52, 8807), reference systems with repulsive mu n-tin potentials o...
Our main goals have been to calculate photonic bands on various periodic dielectric lattices, to clarify some controversy regarding existence of a photonic band gap for fcc lattice of dielectric spheres [1], and finally treat impurities in a photonic crystal [2]. Motivated by the search for a photonic band gap [3] we have tried to adapt one of the standard methods of electron band theory namely...
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