Evaluation of Long-term behavior of bentonite buffer based on Molecular Dynamics and Homogenization Analysis

Author(s):  
Kenichi NAKAOKA ◽  
Hideki KAWAMURA ◽  
Yasuaki ICHIKAWA ◽  
Katsuuki KAWAMURA ◽  
Noriyuki SAITO
Author(s):  
Holger Kruse ◽  
Karl Popp

Abstract The molecular dynamics method (MD method) is a powerful tool for the investigation of granular materials like the railway ballast. The characteristics of this method are explained in detail. In contrast to a continuum description, each single stone of the ballast is taken into account. Since the ballast settlement is strongly influenced by the shape of the stones, in the two-dimensional model polygonal particles are used. These particles are surrounded by fixed boundary walls. At the top of the ballast particle layer, a single sleeper is positioned which is loaded by forces occurring at the real track. The contact forces are calculated from the overlap area of the particle geometries. The paper includes information about the sensitivity of the model behavior on initial conditions and contact law parameters. Furthermore, the contact network, the quasi-static stiffness of the ballast layer and its long-term behavior are addressed. Particular emphasis is put on the description of current difficulties and challenges in applying the MD method.


1997 ◽  
Vol 506 ◽  
Author(s):  
K. Kawamura ◽  
Y. Ichikawa ◽  
M. Nakano ◽  
K. Kitayama ◽  
H. Kawamura

ABSTRACTFor predicting the long-term behavior of bentonite, we present a new and unified simulation procedure of Molecular Dynamics Method (MD) and Homogenization Analysis (HA). The MD is applied to establish molecular-scale bentonite properties and the HA is introduced to extrapolate the molecular model to the bulk-scale continuum model.


2021 ◽  
Vol 1756 ◽  
pp. 147334
Author(s):  
Charles Budaszewski Pinto ◽  
Natividade de Sá Couto-Pereira ◽  
Felipe Kawa Odorcyk ◽  
Kamila Cagliari Zenki ◽  
Carla Dalmaz ◽  
...  

1997 ◽  
Vol 07 (11) ◽  
pp. 2487-2499 ◽  
Author(s):  
Rabbijah Guder ◽  
Edwin Kreuzer

In order to predict the long term behavior of nonlinear dynamical systems the generalized cell mapping is an efficient and powerful method for numerical analysis. For this reason it is of interest to know under what circumstances dynamical quantities of the generalized cell mapping (like persistent groups, stationary densities, …) reflect the dynamics of the system (attractors, invariant measures, …). In this article we develop such connections between the generalized cell mapping theory and the theory of nonlinear dynamical systems. We prove that the generalized cell mapping is a discretization of the Frobenius–Perron operator. By applying the results obtained for the Frobenius–Perron operator to the generalized cell mapping we outline for some classes of transformations that the stationary densities of the generalized cell mapping converges to an invariant measure of the system. Furthermore, we discuss what kind of measures and attractors can be approximated by this method.


2007 ◽  
Vol 133 (9) ◽  
pp. 1307-1315 ◽  
Author(s):  
M. Fragiacomo ◽  
R. M. Gutkowski ◽  
J. Balogh ◽  
R. S. Fast
Keyword(s):  

Author(s):  
Panpan Zhang ◽  
Anhui Gu

This paper is devoted to the long-term behavior of nonautonomous random lattice dynamical systems with nonlinear diffusion terms. The nonlinear drift and diffusion terms are not expected to be Lipschitz continuous but satisfy the continuity and growth conditions. We first prove the existence of solutions, and establish the existence of a multi-valued nonautonomous cocycle. We then show the existence and uniqueness of pullback attractors parameterized by sample parameters. Finally, we establish the measurability of this pullback attractor by the method based on the weak upper semicontinuity of the solutions.


2015 ◽  
Vol 2015 ◽  
pp. 1-14 ◽  
Author(s):  
F. Nyabadza ◽  
B. T. Bekele ◽  
M. A. Rúa ◽  
D. M. Malonza ◽  
N. Chiduku ◽  
...  

Most hosts harbor multiple pathogens at the same time in disease epidemiology. Multiple pathogens have the potential for interaction resulting in negative impacts on host fitness or alterations in pathogen transmission dynamics. In this paper we develop a mathematical model describing the dynamics of HIV-malaria coinfection. Additionally, we extended our model to examine the role treatment (of malaria and HIV) plays in altering populations’ dynamics. Our model consists of 13 interlinked equations which allow us to explore multiple aspects of HIV-malaria transmission and treatment. We perform qualitative analysis of the model that includes positivity and boundedness of solutions. Furthermore, we evaluate the reproductive numbers corresponding to the submodels and investigate the long term behavior of the submodels. We also consider the qualitative dynamics of the full model. Sensitivity analysis is done to determine the impact of some chosen parameters on the dynamics of malaria. Finally, numerical simulations illustrate the potential impact of the treatment scenarios and confirm our analytical results.


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