Molecular dynamics and multiscale homogenization analysis of seepage/diffusion problem in bentonite clay

2002 ◽  
Vol 54 (12) ◽  
pp. 1717-1749 ◽  
Author(s):  
Y. Ichikawa ◽  
K. Kawamura ◽  
N. Fujii ◽  
Theramast Nattavut
Keyword(s):  
Molecular Dynamics ◽  
Bentonite Clay ◽  
Diffusion Problem ◽  
Multiscale Homogenization

Mass Transport of Multicomponents Solute in Bentonite Clay

2000 ◽  
Vol 663 ◽  
Author(s):  
Y. Ichikawa ◽  
K. Kawamura ◽  
M. Nakano ◽  
K. Kitayama ◽  
N. Saito ◽  
...  
Keyword(s):  
Md Simulation ◽  
Chemical Species ◽  
Bentonite Clay ◽  
Diffusion Problem ◽  
Radioactive Waste Disposal ◽  
Inhomogeneous Material ◽  
Solute Diffusion ◽  
Diffusion Behavior ◽  
Molecular Behavior ◽  
High Level

ABSTRACTA fundamental concept combining a molecular behavior and macro-continuum phenomenon is presented for a multicomponent solute diffusion problem in bentonite clay, which is a key component of the Engineering Barrier System (EBS) of high-level radioactive waste disposal (HLRW). Bentonite is a micro-inhomogeneous material. Properties of the saturated bentonite are characterized by the constituent clay mineral (montmorillonite) and water, namely montmorillonite hydrate. We analyze its molecular behavior by applying a molecular dynamics (MD) simulation to inquire into the physicochemical properties such as diffusivity of chemical species. For extending the microscopic characteristics of constituent materials to a macroscopic diffusion behavior of the micro-inhomogeneous material we apply a homogenization analysis (HA).

scholarly journals Micro-structure of Bentonite Clay and Diffusion Coefficient Given by Multiscale Homogenization Analysis

2003 ◽  
Vol 52 (6Appendix) ◽  
pp. 117-124 ◽  
Author(s):  
Naoki FUJII ◽  
Yasuaki ICHIKAWA ◽  
Katsuyuki KAWAMURA ◽  
Satoru SUZUKI ◽  
Kazumi KITAYAMA
Keyword(s):  
Diffusion Coefficient ◽  
Bentonite Clay ◽  
Micro Structure ◽  
And Diffusion ◽  
Multiscale Homogenization
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