Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems
The problem being addressed is to establish standards for temperature conditions under which plutonium, uranium, or neptunium from nuclear wastes permeates steel, with which it is in contact, by diffusion processes. The primary focus is on plutonium because of the greater difficulties created by the peculiarities of face-centered-cubic-stabilized (delta) plutonium (the form used in the technology generating the waste). Temperature is the key controllable diffusion processes, i.e., temperature controls the rate of diffusion. The scientific goal of this project is to predict diffusion constants on an ab initio basis, i.e. diffusion distances in specified time at specified temperature for plutonium from plutonium-based waste materials into various steels or technologically-pertinent metallic alloys. This predictive ability will help to provide information relevant to setting temperature standards for maintaining structures, ducts, equipment or waste-containing vessels until such time as decontamination and decommissioning and/or permanent storage can be carried out. In addition, this knowledge will aid in assessing the depth of penetration that must be dealt with in any surface treatment for decontamination. The scientific steps of the methodology are (1) to recognize the stabilizing mechanism and the electronic structure pertinent to that stabilization for face-centered-cubic (fcc) delta-stabilized plutonium, (2) to extract the information needed to perform dynamic simulations from ab initio electronic structure calculations, (3) to perform and report the dynamic simulations predicting the diffusion behavior.
- Research Organization:
- West Virginia University, Morgantown, West Virginia; University of Connecticut, Storrs, Connecticut (US)
- Sponsoring Organization:
- USDOE Office of Environmental Management (EM) (US)
- DOE Contract Number:
- FG07-97ER45671
- OSTI ID:
- 828399
- Report Number(s):
- EMSP-59925-1999; R&D Project: EMSP 59925; TRN: US0403964
- Resource Relation:
- Other Information: PBD: 1 Jun 1999
- Country of Publication:
- United States
- Language:
- English
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Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems
Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems
Related Subjects
36 MATERIALS SCIENCE
54 ENVIRONMENTAL SCIENCES
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
DECOMMISSIONING
DECONTAMINATION
DIFFUSION
ELECTRONIC STRUCTURE
FCC LATTICES
NEPTUNIUM
PLUTONIUM
RADIOACTIVE WASTES
SIMULATION
STABILIZATION
STEELS
SURFACE TREATMENTS
TEMPERATURE CONTROL
URANIUM
WASTES