Abstract
A 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).
| Original language | English |
|---|---|
| Pages (from-to) | 617-628 |
| Number of pages | 12 |
| Journal | Materials Research Society Symposium - Proceedings |
| Volume | 663 |
| Publication status | Published - Dec 1 2001 |
| Externally published | Yes |
| Event | Scientific Basis for Nuclear Waste Management XXIV - Sydney, Australia Duration: Aug 27 2000 → Aug 31 2000 |
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering