Browsing by Keywords "Calculations"
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Ab initio study of hydrogenic effective mass impurities in Si nanowires
(Institute of Physics Publishing, 201701)The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly ... 
Adhesive energy, force and barrier height between simple metal surfaces
(1992)Using the selfconsistent field pseudopotential method we calculated the adhesive energy, perpendicular and lateral forces and barrier height between two rigid A1(001) slabs modeling the sample and a blunt tip. We found ... 
Adsorption of group IV elements on graphene, silicene, germanene and stanene: dumbbell formation
(ACS Publications, 20141209)Silicene and germanene derivatives constructed from periodic dumbbell units play a crucial role in multilayers of these honeycomb structures. Using firstprinciples calculations based on density functional theory, here ... 
Algorithms for efficient vectorization of repeated sparse power system network computations
(IEEE, 1995)Standard sparsitybased algorithms used in power system appllcations need to be restructured for efficient vectorization due to the extremely short vectors processed. Further, intrinsic architectural features of vector ... 
Anisotropic electronic, mechanical, and optical properties of monolayer WTe2
(American Institute of Physics Inc., 2016)Using firstprinciples calculations, we investigate the electronic, mechanical, and optical properties of monolayer WTe2. Atomic structure and ground state properties of monolayer WTe2 (Td phase) are anisotropic which are ... 
Atomicscale tipsample interactions and contact phenomena
(1992)Tipsample interactions become crucial owing to increased overlap at small tipsample separation. The potential barrier collapses before the point of maximum attraction on the apex of the tip, but the effective barrier may ... 
Automated web services composition with the event calculus
(2008)As the web services proliferate and complicate it is becoming an overwhelming job to manually prepare the web service compositions which describe the communication and integration between web services. This paper analyzes ... 
Band Structure and Optical Properties of Kesterite Type Compounds: First principle calculations
(Institute of Physics Publishing, 2017)In present work, our research is mainly focused on the electronic structures, optical and magnetic properties of Cu2FeSnZ4 (Z = S, Se) compounds by using ab initio calculations within the generalized gradient approximation ... 
Comparative evaluation of absorbing boundary conditions using green's functions for layered media
(IEEE (Institute of Electrical and Electronics Engineers), 199506)Absorbing boundary conditions are comparatively studied using the Green's functions of the vector and scalar potentials for multilayer geometries and general sources. The absorbing boundaries are introduced as additional ... 
Comparative study of acceleration techniques for integrals and series in electromagnetic problems
(IEEE, Piscataway, NJ, United States, 1995)Most of the electromagnetic problems can be reduced down to either integrating oscillatory integrals or summing up complex series. However, limits of the integrals and the series usually extend to infinity. In addition, ... 
Coulomb drag effect in parallel cylindrical quantum wires
(Pergamon Press, 1996)We study the Coulomb drag rate for electrons in two parallel quantum wires. The doublequantum wire structure is modeled for a GaAs material with cylindrical wires having infinite potential barriers. The momentum transfer ... 
Density functional theory investigation of substituent effects on building blocks of conducting polymers
(Elsevier, 1999)Substituted heterocyclic dimers were calculated employing density functional theory (DFT) and analyzed with the natural bond orbits method (NBO). Substitution in 3 and 4positions leads to parallel shifting of HOMO and ... 
Digital computation of the fractional Fourier transform
(Institute of Electrical and Electronics Engineers, 199609)An algorithm for efficient and accurate computation of the fractional Fourier transform is given. For signals with timebandwidth product N, the presented algorithm computes the fractional transform in O(NlogN) time. A ... 
Efficient parallel spatial subdivision algorithm for objectbased parallel ray tracing
(Pergamon Press, 1994)Parallel ray tracing of complex scenes on multicomputers requires the distribution of both computation and scene data to the processors. This is carried out during preprocessing and usually consumes too much time and memory. ... 
Efficient use of closedform Green's functions for the analysis of planar geometries with vertical connections
(Institute of Electrical and Electronics Engineers, 199705)An efficient and rigorous method for the analysis of planarly layered geometries with vertical metallizations is presented. The method is based on the use of the closedform spatialdomain Green's functions in conjunction ... 
Efficient use of closedform Green's functions for threedimensional problems involving multilayered media
(Institute of Electrical and Electronics Engineers, 1994)With the use of casting the spatial domain Green's functions into closed forms approach, it was demonstrated that the computational efficiency of the method of moments (MoM) for the solution of the mixed potential integral ... 
Electronic and magnetic properties of zinc blende halfmetal superlattices
(A I P Publishing LLC, 2004)Zinc blende halfmetallic compounds such as CrAs, with large magnetic moments and high Curie temperatures, are promising materials for spintronic applications. We explore layered materials, consisting of alternating ... 
Firstprinciples calculations of Pdterminated symmetrical armchair graphene nanoribbons
(Elsevier, 2013)The effects of Palladium (Pd) termination on the electronic properties of armchair graphene nanoribbons (AGNRs) were calculated by using ab initio calculations. After a geometric optimization process, the electronic band ... 
Fracture of femoral neck: Analysis of new implant models with a slit and without a slit by the finite element method
(WHO Office in Azerbaijan, 2017)During fractures of the neck of the femur (PBHB) for the completion of postoperative fusion, there is a need for stable fixation  interfragmental immobility. The stability of used implants in a living person is difficult ... 
From a calculus to an execution environment for stream processing
(2012)At one level, this paper is about River, a virtual execution environment for stream processing. Stream processing is a paradigm wellsuited for many modern data processing systems that ingest highvolume data streams from ...