Application of accelerated long-range corrected exchange functional [LC-DFT(2Gau)] to periodic boundary condition systems: CO adsorption on Cu(111) surface

2020 ◽  
Vol 152 (10) ◽  
pp. 104105
Author(s):  
Kenji Mishima ◽  
Masanori Kaneko ◽  
Jong-Won Song ◽  
Hiroki Kawai ◽  
Koichi Yamashita ◽  
...  
Keyword(s):  
Boundary Condition ◽  
Long Range ◽  
Periodic Boundary Condition ◽  
Periodic Boundary ◽  
Co Adsorption ◽  
Condition Systems

scholarly journals Solutions for impulsive fractional pantograph differential equation via generalized anti-periodic boundary condition

2020 ◽  
Vol 2020 (1) ◽  
Author(s):  
Idris Ahmed ◽  
Poom Kumam ◽  
Jamilu Abubakar ◽  
Piyachat Borisut ◽  
Kanokwan Sitthithakerngkiet
Keyword(s):  
Differential Equation ◽  
Boundary Condition ◽  
Fixed Point ◽  
Fractional Differential Equation ◽  
Existence And Uniqueness ◽  
Periodic Boundary Condition ◽  
Periodic Boundary ◽  
Fixed Point Theorems ◽  
Uniqueness Of The Solution ◽  
Fractional Differential

Abstract This study investigates the solutions of an impulsive fractional differential equation incorporated with a pantograph. This work extends and improves some results of the impulsive fractional differential equation. A differential equation of an impulsive fractional pantograph with a more general anti-periodic boundary condition is proposed. By employing the well-known fixed point theorems of Banach and Krasnoselskii, the existence and uniqueness of the solution of the proposed problem are established. Furthermore, two examples are presented to support our theoretical analysis.

scholarly journals A new time-delayed periodic boundary condition for discrete element modelling of railway track under moving wheel loads

2021 ◽  
Vol 23 (4) ◽  
Author(s):  
Huiqi Li ◽  
Glenn McDowell ◽  
John de Bono
Keyword(s):  
Boundary Condition ◽  
Periodic Boundary Condition ◽  
Periodic Boundary ◽  
Discrete Element ◽  
Contact Forces ◽  
Railway Track ◽  
Discrete Element Modelling ◽  
Fixed Boundary ◽  
Element Modelling ◽  
New Time

Abstract A new time-delayed periodic boundary condition (PBC) has been proposed for discrete element modelling (DEM) of periodic structures subject to moving loads such as railway track based on a box test which is normally used as an element testing model. The new proposed time-delayed PBC is approached by predicting forces acting on ghost particles with the consideration of different loading phases for adjacent sleepers whereas a normal PBC simply gives the ghost particles the same contact forces as the original particles. By comparing the sleeper in a single sleeper test with a fixed boundary, a normal periodic boundary and the newly proposed time-delayed PBC (TDPBC), the new TDPBC was found to produce the closest settlement to that of the middle sleeper in a three-sleeper test which was assumed to be free of boundary effects. It appears that the new TDPBC can eliminate the boundary effect more effectively than either a fixed boundary or a normal periodic cell. Graphic abstract

An analytical solution of a two-dimensional temperature field in a hollow cylinder under a time periodic boundary condition using Fourier series

2009 ◽  
Vol 223 (8) ◽  
pp. 1889-1901 ◽  
Author(s):  
G Atefi ◽  
M A Abdous ◽  
A Ganjehkaviri ◽  
N Moalemi
Keyword(s):  
Boundary Condition ◽  
Temperature Field ◽  
Fourier Series ◽  
Temperature Distribution ◽  
Analytical Solution ◽  
Hollow Cylinder ◽  
Periodic Boundary Condition ◽  
Periodic Boundary ◽  
Separation Of Variables ◽  
Two Dimensional

The objective of this article is to derive an analytical solution for a two-dimensional temperature field in a hollow cylinder, which is subjected to a periodic boundary condition at the outer surface, while the inner surface is insulated. The material is assumed to be homogeneous and isotropic with time-independent thermal properties. Because of the time-dependent term in the boundary condition, Duhamel's theorem is used to solve the problem for a periodic boundary condition. The periodic boundary condition is decomposed using the Fourier series. This condition is simulated with harmonic oscillation; however, there are some differences with the real situation. To solve this problem, first of all the boundary condition is assumed to be steady. By applying the method of separation of variables, the temperature distribution in a hollow cylinder can be obtained. Then, the boundary condition is assumed to be transient. In both these cases, the solutions are separately calculated. By using Duhamel's theorem, the temperature distribution field in a hollow cylinder is obtained. The final result is plotted with respect to the Biot and Fourier numbers. There is good agreement between the results of the proposed method and those reported by others for this geometry under a simple harmonic boundary condition.

Liquid/liquid interface in periodic boundary condition

2021 ◽  
Author(s):  
Marin Vatin ◽  
Magali Duvail ◽  
Philippe Guilbaud ◽  
Jean-François Dufrêche
Keyword(s):  
Phase Diagram ◽  
Boundary Condition ◽  
Periodic Boundary Condition ◽  
Periodic Boundary ◽  
Liquid Mixture ◽  
Liquid Interface ◽  
Interface Shape

Phase diagram showing the most stable interface shape for a liquid–liquid mixture in periodic boundary condition.

Theoretical Studies on SDW and CDW States of Cu and Ag Oxides under the Periodic Boundary Condition

2002 ◽  
Vol 379 (1) ◽  
pp. 513-518
Author(s):  
Shuhei Nakano ◽  
Yasutaka Kitagawa ◽  
Takashi Kawakami ◽  
Hidemi Nagao ◽  
Kizashi Yamaguchi
Keyword(s):  
Boundary Condition ◽  
Periodic Boundary Condition ◽  
Periodic Boundary ◽  
Theoretical Studies
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