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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
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Local Polynomial Regression and Filtering for a Versatile Mesh‐Free PDE Solver
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
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Wetting and Spreading Behavior of Axisymmetric Compound Droplets on Curved Solid Walls Using Conservative Phase Field Lattice Boltzmann Method. [PDF]
Wang Y, Huang JJ.
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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
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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
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Exact Lattice Boltzmann Equation
Physical Review Letters, 2013The 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
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Lattice Boltzmann equation hydrodynamics
Physical Review E, 2001By 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
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Lattices for the lattice Boltzmann method
Physical Review E, 2009A 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.
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Axisymmetric lattice Boltzmann method
Physical Review E, 2008A 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.
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