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Periodic boundary conditions inab initiocalculations

Physical Review B, 1995
The convergence of the electrostatic energy in calculations using periodic boundary conditions is considered in the context of periodic solids and localized aperiodic systems in the gas and condensed phases. Conditions for the absolute convergence of the total energy in periodic boundary conditions are obtained, and their implications for calculations ...
, Makov, , Payne
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On periodic boundary conditions and ergodicity in computational homogenization of heterogeneous materials with random microstructure

Computer Methods in Applied Mechanics and Engineering, 2019
Due to high computational costs associated with stochastic computational homogenization, a highly complex random material microstructure is often replaced by simplified, parametric, ergodic, and sometimes periodic models.
Dmytro Pivovarov   +4 more
semanticscholar   +3 more sources

Fractional Boundary Value Problems with Integral and Anti-periodic Boundary Conditions

Bulletin of the Malaysian Mathematical Sciences Society, 2015
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Yufeng Xu
openaire   +3 more sources

Periodic Boundary Conditions

Introduction to the Fast Multipole Method, 2019
Victor Anisimov, James J.P. Stewart
openaire   +2 more sources

Liquid/liquid interface in periodic boundary condition

Physical Chemistry Chemical Physics, 2021
Phase diagram showing the most stable interface shape for a liquid–liquid mixture in periodic boundary condition.
Marin Vatin   +3 more
openaire   +2 more sources

Time-periodic solutions to quasilinear hyperbolic systems with time-periodic boundary conditions

Journal des Mathématiques Pures et Appliquées, 2020
For quasilinear hyperbolic systems with time-periodic boundary conditions possessing a dissipative structure, the existence, uniqueness and stability of the time-periodic classical solutions are proved.
Peng Qu
semanticscholar   +1 more source

Stress anisotropy induced by periodic boundary conditions

The Journal of Chemical Physics, 2005
Finite size effects due to periodic boundary conditions are investigated using computer simulations in the canonical ensemble. We study liquids with densities corresponding to typical liquid coexistence densities, and temperatures between the triple and critical points.
Minerva, González-Melchor   +4 more
openaire   +2 more sources

Viscous-fingering experiments with periodic boundary conditions

Physical Review A, 1990
Experimental realization of a Hele-Shaw cell with periodic boundary conditions (PBC's) is achieved by building an azimuthal cell with two coaxial cylinders separated by a small gap. The development of viscous-fingering patterns formed by a critical binary liquid mixture at very low viscosity contrast has been observed and recorded from the onset of ...
, Zhao, , Maher
openaire   +2 more sources

Spatial Periodic Boundary Condition for MODFLOW

Groundwater, 2013
Abstract Small‐scale hyporheic zone ( HZ ) models often use a spatial periodic boundary ( SPB ) pair to simulate an infinite repetition of bedforms.
Tariq, Laattoe   +2 more
openaire   +2 more sources

Comparison of current methods for implementing periodic boundary conditions in multi-scale homogenisation

European Journal of Mechanics - A/Solids, 2019
Correctly representing the micro-scale model boundaries is fundamental to the performance and accuracy of multi-scale homogenisation. Although enforcing periodic boundary conditions is known to lead to more effective property approximation in comparison ...
P. Henyš, L. Capek, J. Březina
semanticscholar   +1 more source

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