scholarly journals Implementation of Lees–Edwards periodic boundary conditions for direct numerical simulations of particle dispersions under shear flow

2011 ◽  
Vol 134 (6) ◽  
pp. 064110 ◽  
Author(s):  
Hideki Kobayashi ◽  
Ryoichi Yamamoto
Keyword(s):  
Shear Flow ◽  
Boundary Conditions ◽  
Numerical Simulations ◽  
Periodic Boundary ◽  
Periodic Boundary Conditions ◽  
Direct Numerical Simulations

scholarly journals Direct numerical simulations of helical dynamo action: MHD and beyond

2004 ◽  
Vol 11 (5/6) ◽  
pp. 619-629 ◽  
Author(s):  
D. O. Gómez ◽  
P. D. Mininni
Keyword(s):  
Magnetic Fields ◽  
Numerical Simulations ◽  
Periodic Boundary ◽  
Incompressible Flows ◽  
Magnetic Energy ◽  
Periodic Boundary Conditions ◽  
Direct Numerical Simulations ◽  
Dynamo Action ◽  
Spatial Fluctuations ◽  
Kinetic Effects

Abstract. Magnetohydrodynamic dynamo action is often invoked to explain the existence of magnetic fields in several astronomical objects. In this work, we present direct numerical simulations of MHD helical dynamos, to study the exponential growth and saturation of magnetic fields. Simulations are made within the framework of incompressible flows and using periodic boundary conditions. The statistical properties of the flow are studied, and it is found that its helicity displays strong spatial fluctuations. Regions with large kinetic helicity are also strongly concentrated in space, forming elongated structures. In dynamo simulations using these flows, we found that the growth rate and the saturation level of magnetic energy and magnetic helicity reach an asymptotic value as the Reynolds number is increased. Finally, extensions of the MHD theory to include kinetic effects relevant in astrophysical environments are discussed.

Molecular Dynamics Using Non-Variational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation and Application to the Bond Capacity Model

2019 ◽  
Author(s):  
Pier Paolo Poier ◽  
Louis Lagardere ◽  
Jean-Philip Piquemal ◽  
Frank Jensen
Keyword(s):  
Boundary Conditions ◽  
Periodic Boundary ◽  
Force Fields ◽  
Periodic Boundary Conditions ◽  
Computational Effort ◽  
Polarizable Force Fields ◽  
Energy Models ◽  
Capacity Model ◽  
Energy Gradient ◽  
Polarization Models

<div> <div> <div> <p>We extend the framework for polarizable force fields to include the case where the electrostatic multipoles are not determined by a variational minimization of the electrostatic energy. Such models formally require that the polarization response is calculated for all possible geometrical perturbations in order to obtain the energy gradient required for performing molecular dynamics simulations. </p><div> <div> <div> <p>By making use of a Lagrange formalism, however, this computational demanding task can be re- placed by solving a single equation similar to that for determining the electrostatic variables themselves. Using the recently proposed bond capacity model that describes molecular polarization at the charge-only level, we show that the energy gradient for non-variational energy models with periodic boundary conditions can be calculated with a computational effort similar to that for variational polarization models. The possibility of separating the equation for calculating the electrostatic variables from the energy expression depending on these variables without a large computational penalty provides flexibility in the design of new force fields. </p><div><div><div> </div> </div> </div> <p> </p><div> <div> <div> <p>variables themselves. Using the recently proposed bond capacity model that describes molecular polarization at the charge-only level, we show that the energy gradient for non-variational energy models with periodic boundary conditions can be calculated with a computational effort similar to that for variational polarization models. The possibility of separating the equation for calculating the electrostatic variables from the energy expression depending on these variables without a large computational penalty provides flexibility in the design of new force fields. </p> </div> </div> </div> </div> </div> </div> </div> </div> </div>

scholarly journals Sharp Lyapunov-type inequalities for second-order half-linear difference equations with different kinds of boundary conditions

2021 ◽  
Vol 115 (3) ◽  
Author(s):  
Robert Stegliński
Keyword(s):  
Difference Equation ◽  
Boundary Conditions ◽  
Difference Equations ◽  
Periodic Boundary ◽  
Periodic Boundary Conditions ◽  
Second Order ◽  
Linear Difference Equations ◽  
Order Difference ◽  
Second Order Difference Equation ◽  
Order Difference Equation

AbstractIn this work, we establish optimal Lyapunov-type inequalities for the second-order difference equation with p-Laplacian $$\begin{aligned} \Delta (\left| \Delta u(k-1)\right| ^{p-2}\Delta u(k-1))+a(k)\left| u(k)\right| ^{p-2}u(k)=0 \end{aligned}$$ Δ ( Δ u ( k - 1 ) p - 2 Δ u ( k - 1 ) ) + a ( k ) u ( k ) p - 2 u ( k ) = 0 with Dirichlet, Neumann, mixed, periodic and anti-periodic boundary conditions.

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