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Title: Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems

Abstract

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).

Authors:
; ; ; ;
Publication Date:
Research Org.:
West Virginia University (US)
Sponsoring Org.:
(US)
OSTI Identifier:
825603
Report Number(s):
DOE/ER/45671
EMSP59925; TRN: US0402670
DOE Contract Number:
FG07-97ER45671
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: 2 Jul 2004
Country of Publication:
United States
Language:
English
Subject:
12 MANAGEMENT OF RADIOACTIVE WASTES, AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES; DIFFUSION; NEPTUNIUM; PLUTONIUM; RADIOACTIVE WASTES; SIMULATION; URANIUM

Citation Formats

Bernard R. Cooper, Gayanath W. Fernando, S. Beiden, A. Setty, and E.H. Sevilla. Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems. United States: N. p., 2004. Web. doi:10.2172/825603.
Bernard R. Cooper, Gayanath W. Fernando, S. Beiden, A. Setty, & E.H. Sevilla. Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems. United States. doi:10.2172/825603.
Bernard R. Cooper, Gayanath W. Fernando, S. Beiden, A. Setty, and E.H. Sevilla. Fri . "Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems". United States. doi:10.2172/825603. https://www.osti.gov/servlets/purl/825603.
@article{osti_825603,
title = {Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems},
author = {Bernard R. Cooper and Gayanath W. Fernando and S. Beiden and A. Setty and E.H. Sevilla},
abstractNote = {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).},
doi = {10.2172/825603},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 02 00:00:00 EDT 2004},
month = {Fri Jul 02 00:00:00 EDT 2004}
}

Technical Report:

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  • 'The problem being addressed is to establish standards for storage conditions for containers (e.g. stainless steel containers) meant to hold nuclear waste for long periods of time, e.g. fifty years, such as to ensure the integrity of the containers without being excessively conservative, i.e., being unnecessarily costly. Allowable storage temperature is an important parameter for the standards. Diffusion processes are central to certain processes that initiate corrosion of the containers or that lead to the release of gases increasing pressure that can rupture the container. The scientific goals of this project are: (1) to predict diffusion constants on an abmore » initio basis, i.e. diffusion distances in specified time at specified temperature, for atomic species from plutonium-based waste materials into storage container materials such as stainless steel or vice versa, (2) to predict the time development at specified temperature of complex diffusion processes in plutonium-based oxide type waste materials in the presence of water vapor such that gases may be released within a container. This predictive ability will help to provide information relevant to setting standards for waste container vessels and storage conditions. This project was initiated on September 15, 1997, so that this summary reports progress after about 2/3 of the first year of a three-year project.'« less
  • 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 plutoniummore » 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.« less
  • 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 plutoniummore » 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) deltastabilized 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.« less
  • 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 process, 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 plutoniummore » 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 2 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) deltastabilized 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.« less
  • Preliminary studies were made of the feasibility of using the gaseous diffusion process for the production of enriched isotopes of certain specific elements which are of interest in various phases of the United States' nuclear program. The results of these studies indicate the gaseous diffusion process is probably the most practicable method of separating the isotopes of tungsten, molybdenum, and xenon to produce mnterials with the desired characteristics. In each of these cases one is confronted with the problem of separating the isotopes of a multicomponent mixtare: in the case of tungsten the desired isotope W/sup 184/ is a midd1emore » isotope in the naturally occurring mixture. 8pecial modes of operntion are required in order to enrich a mixture with respect to a middle isotope. Since all of the considerations which apply to the separation of the various isotopes mentioned above are included in a discussion of the tungsten problem, only the specific problem of enriching the desired isotope of tungsten is discussed. (auth)« less