Results 211 to 220 of about 12,541 (263)

DFT Insight Into Physical Properties of Halide Ions Replacements in Oxo‐Selenate Halide Compounds for Photovoltaic Application

open access: yesEnergy Science &Engineering, EarlyView.
Using density functional theory (CASTEP, GGA–PBE), the structural, electronic, optical, and mechanical properties of YSeO₃X (X = F, Cl, Br, and I) compounds are systematically investigated. The materials have exhibited structural stability, tunable band gaps, strong optical absorption, anisotropic ductile behavior, and promising potential for ...
Nawishta Jabeen   +5 more
wiley   +1 more source

Local Polynomial Regression and Filtering for a Versatile Mesh‐Free PDE Solver

open access: yesInternational Journal for Numerical Methods in Fluids, EarlyView.
A high‐order, mesh‐free finite difference method for solving differential equations is presented. Both derivative approximation and scheme stabilisation is carried out by parametric or non‐parametric local polynomial regression, making the resulting numerical method accurate, simple and versatile. Numerous numerical benchmark tests are investigated for
Alberto M. Gambaruto
wiley   +1 more source

Performance Assessment of the Immersed Boundary Method in the Framework of the Moment Representation Lattice Boltzmann Method

open access: yesInternational Journal for Numerical Methods in Fluids, EarlyView.
The immersed boundary method (IBM) was coupled with the moment representation lattice Boltzmann method (MR‐LBM), reducing bandwidth requirements compared to population‐based LBM formulations. A systematic assessment of IBM parameters was conducted to quantify their effect on computational performance.
Marco A. Ferrari   +2 more
wiley   +1 more source

Overcoming contact issues in bottom‐contact, short‐channel organic transistors with van der Waals conformal contacts

open access: yesFlexMat, EarlyView.
A new conformal contact transfer strategy is developed to enhance the contact interface quality between organic semiconductors and metal electrodes in bottom‐contact, short channel organic field‐effect transistors. By utilizing interfacial water permeation and surface functionalization, the method achieves a van der Waals conformal contact interface ...
Yuan Tan   +7 more
wiley   +1 more source

Exact Lattice Boltzmann Equation

Physical Review Letters, 2013
The lattice Boltzmann equation is derived from the Bhatnagar-Gross-Krook kinetic equation using the Euler-Maclaurin integration formula. Unlike previous attempts to connect the lattice Boltzmann method with the kinetic theory, the result is free of any relaxation-type approximation.
F. Boesch, I.V. Karlin
openaire   +2 more sources

Lattice Boltzmann equation hydrodynamics

Physical Review E, 2001
By inserting position and time dependent "source" or "forcing" terms into the microscopic evolution equation of a lattice Boltzmann fluid and treating the generalized scheme within the usual Chapman-Enskog methodology, we show that the emergent dynamics of the lattice fluid may be usefully transformed.
I, Halliday   +4 more
openaire   +2 more sources

Lattices for the lattice Boltzmann method

Physical Review E, 2009
A recently introduced theory of higher-order lattice Boltzmann models [Chikatamarla and Karlin, Phys. Rev. Lett. 97, 190601 (2006)] is elaborated in detail. A general theory of the construction of lattice Boltzmann models as an approximation to the Boltzmann equation is presented.
Chikatamarla, S.S., Karlin, I.V.
openaire   +3 more sources

Axisymmetric lattice Boltzmann method

Physical Review E, 2008
A lattice Boltzmann method is developed for incompressible axisymmetric flows. Both force and source or sink terms are incorporated into the lattice Boltzmann equation in a natural way, which is consistent in dimension with the lattice Boltzmann equation.
openaire   +2 more sources

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