Article discussing an ab initio study of methane activation by group IVB imido complexes.

Fracture-mechanics crack growth tests were conducted on 25.4-mm-thick compact tension specimens of Types 304L and 316L Stainless steel and Incoloy 825 at 93{degrees}C and 1 atmosphere of pressure in simulated J-13 well water, which is representative of the groundwater at the Yucca Mountain site in Nevada that is proposed for a high-level nuclear waste repository. Crack growth rates were measured under various load conditions: load ratios of 0.2--1.0, frequencies of 2 {times} 10{sup {minus}4}{minus}1 Hz, rise times of 1--5000 s, and peak stress intensities of 25--40 MPa{center_dot}m{sup {1/2}}. The measured crack growthrates are bounded by the predicted rates from the current ASME Section 11 correlation for fatigue crack growth rates of austenitic stainless steel in air. Environmentally accelerated crack growth was not evident in any of the three materials under the test conditions investigated.

In August 1988, two years after the Chernobyle accident, the United States and the Soviet Union signed an agreement to sponsor a Joint coordinating Committee on Civilian Nuclear Reactor Safety, (JCCCNRS). The Soviet Union agreed to provide some information on late effects of radiation exposures and to attempt to add some new insights into low dose and low dose rate radiation consequences. At that time, it had just been revealed that significant radiation exposures had occurred in the South Ural Mountains, associated with the early years of operation of the MAYAK nuclear complex. The need to be able to better predict the long term consequences of overexposures, such as occurred with the Chernobyl accident, was a major factor in organizing this workshop. We decided to invite a small number of experts from the Soviet Union, who had direct knowledge of the situation. A small group of American experts was invited to help in a discussion of the state of knowledge of continual low level exposure. The experts and expertise included: Aspects of bask theoretical radiobiological models, studies on experimental animals exposed to chronic or fractionated external or internal radiation, studies on populations exposed to chronic intake and continual exposures, workers …

Previous laboratory investigations of tuff have shown that porosity has a dominant, general effect on mechanical properties. As a result, it is very important for the interpretation of mechanical property data that porosity is measured on each sample tested. Porosity alone, however, does not address all of the issues important to mechanical behavior. Variability in size and distribution of pore space produces significantly different mechanical properties. A nondestructive technique for characterizing the internal structure of the sample prior to testing is being developed and the results are being analyzed. The information obtained from this technique can help in both qualitative and quantitative interpretation of test results.

In an attempt to achieve completeness and consistency, the performance-assessment analyses developed by the Yucca Mountain Project are tied to scenarios described in event trees. Development of scenarios requires describing the constituent features, events, and processes in detail. Several features and processes occurring at the waste packages and the rock immediately surrounding the packages (i.e., the near field) have been identified: the effects of radiation on fluids in the near-field rock, the path-dependency of rock-water interactions, and the partitioning of contaminant transport between colloids and solutes. This paper discusses some questions regarding these processes that the near-field performance-assessment modelers will need to have answered to specify those portions of scenarios dealing with the near field.

A fundamental concern in the design of the potential repository at Yucca Mountain. Nevada is the response of the host rock to the emplacement of heat-generating waste. The thermal perturbation of the rock mass has implications regarding the structural, hydrologic. and geochemical performance of the potential repository. The phenomenological coupling of many of these performance aspects makes repository thermal modeling a difficult task. For many of the more complex, coupled models, it is often necessary to reduce the geometry of the potential repository to a smeared heat-source approximation. Such simplifications have impacts on induced thermal profiles that in turn may influence other predicted responses through one- or two-way thermal couplings. The effect of waste employment layout on host-rock thermal was chosen as the primary emphasis of this study. Using a consistent set of modeling and input assumptions, far-field thermal response predictions made for discrete-source as well as plate source approximations of the repository geometry. Input values used in the simulations are consistent with a design-basis a real power density (APD) of 80 kW/acre as would be achieved assuming a 2010 emplacement start date, a levelized receipt schedule, and a limitation on available area as published in previous design studies. It …

A formalism for extracting coupled betatron parameters from multiturn, shock excited, beam position monitor data is described. The most important results are nonperturbative in that they do not rely on the underlying ideal lattice model. Except for damping, which is assumed to be exponential and small enough to be removed empirically, the description is symplectic. As well as simplifying the description, this leads to self-consistency checks that are applied to the data. The most important of these is a {open_quotes}magic ratio{close_quotes} of Fourier coefficients that is required to be a lattice invariant, the same at every beam position monitor. All formulas are applied to both real and simulated data. The real data was acquired June, 1992 at LEP as part of decoupling studies, using the LEP beam orbit measurement system. Simulated data, obtained by numerical tracking (TEAPOT) in the same (except for unknown errors) lattice, agrees well with real data when subjected to identical analysis. For both datasets, deviations between extracted and design parameters and deviations from self-consistency can be accounted for by noise and signal processing limitations. This investigation demonstrates that the LEP beam position system yields reliable local coupling measurements. It can be conservatively assumed that systems of …

A set of detailed geostatistical simulations of porosity has been produced for a layered stratigraphic sequence of welded and nonwelded volcanic tuffs at Yucca Mountain, Nevada. The simulations are produced using a composite. model of spatial continuity and they are highly conditioned to abundant drill hole (core) information. A set of derivative simulations of saturated hydraulic conductivity has been produced, in the absence of conditioning data, using a cross-variable relationship developed from similar data elsewhere. The detailed simulations reproduce both the major stratigraphic units and finer scale layering indicated by the drill hole data. These simulations have been scaled up several order of magnitude to represent block-scale effective hydrologic properties suitable for use in numerical modeling of groundwater flow and transport. The upscaling process involves the reformulation of a previously reported method that iteratively adapts an initial arbitrary grid to ``homogenize`` the detailed hydraulic properties contained within the adjusted cell limits and to minimize the size of cell in highly heterogeneous regions. Although the computation of the block-effective property involves simple numerical averaging, the blocks over which these averages are computed are relatively homogeneous, which reduces the numerical difficulties involved in averaging non-additive properties, such as permeability. The entire process …

A numerical approach for modeling unsaturated flow is developed for heterogeneous simulations of fractured tuff generated using a geostatistical method. Cross correlations of hydrologic properties and upscaling of moisture retention curves is discussed. The approach is demonstrated for a study of infiltration at Yucca Mountain.

A site at Yucca Mountain Nevada is currently being studied to assess its suitability as a potential host site for the nation`s first commercial high level waste repository. The DOE has proposed a new methodology for determining design-basis ground motions that uses both deterministic and probabilistic methods. The role of the deterministic approach is primary. It provides the level of detail needed by design engineers in the characterization of ground motions. The probabilistic approach provides a logical structured procedure for integrating the range of possible earthquakes that contribute to the ground motion hazard at the site. In addition, probabilistic methods will be used as needed to provide input for the assessment of long-term repository performance. This paper discusses the local tectonic environment, potential seismic sources and their associated displacements and ground motions. It also discusses the approach to assessing the design basis earthquake for the surface and underground facilities, as well as selected examples of the use of this type of information in design activities.

This paper presents a method of estimating the rock mass properties for the welded and nonwelded tuffs based on currently available information on intact rock and joint characteristics at the Yucca Mountain site. Variability of the expected ground conditions at the potential repository horizon (the TSw2 thermomechanical unit) and in the Calico Hills nonwelded tuffs is accommodated by defining five rock mass quality categories in each unit based upon assumed and observed distributions of the data.

For problems where media properties are measured at one scale and applied at another, scaling laws or models must be used in order to define effective properties at the scale of interest. The accuracy of such models will play a critical role in predicting flow and transport through the Yucca Mountain Test Site given the sensitivity of these calculations to the input property fields. Therefore, a research programhas been established to gain a fundamental understanding of how properties scale with the aim of developing and testing models that describe scaling behavior in a quantitative-manner. Scaling of constitutive rock properties is investigated through physical experimentation involving the collection of suites of gas permeability data measured over a range of discrete scales. Also, various physical characteristics of property heterogeneity and the means by which the heterogeneity is measured and described are systematically investigated to evaluate their influence on scaling behavior. This paper summarizes the approach that isbeing taken toward this goal and presents the results of a scoping study that was conducted to evaluate the feasibility of the proposed research.

Hydrologic properties have been measured on outcrop samples taken from a detailed, two-dimension grid covering a 1.4 km outcrop exposure of the 10-m thick non-welded-to-welded, shardy base microstratigraphic unit of the Tiva Canyon Member of the Miocene Paintbrush Tuff at Yucca Mountain, Nevada. These data allow quantification of spatial trends in rock matrix properties that exist in this important hydrologic unit. Geologic investigation, combined with statistical and geostatistical analyses of the numerical data, indicates that spatial variability of matrix properties is related to deterministic geologic processes that operated throughout the region. Linear vertical trends in hydrologic properties are strongly developed in the shardy base microstratigraphic unit, and they are more accurately modeled using the concept of a thickness-normalized stratigraphic elevation within the unit, rather than absolute elevation. Hydrologic properties appear to be correlated over distances of 0.25 to 0.3 of the unit thickness after removing the deterministic vertical trend. The use of stratigraphic elevation allows scaling of identified trends by unit thickness which may be of particular importance in a basal, topography-blanketing unit such as this one. Horizontal changes in hydrologic properties do not appear to form obvious trends within the limited lateral geographic extent of the ash-flow environment that …

A series of constant strain rate, unconfined compression experiments was performed on saturated welded tuff specimens collected from Busted Butte near Yucca Mountain, Nevada. Twenty specimens were loaded to failure at strain rates ranging from 10{sup {minus}9}s{sup {minus}1} to 10{sup {minus}3}s{sup {minus}1}, under ambient pressure and temperature conditions. The strength of the specimens showed a continuous decrease with decreasing strain rate between 10{sup {minus}9} s{sup {minus}1} and 10{sup {minus}5} s{sup {minus}1}. At the highest strain rate, 10{sup {minus}3} s{sup {minus}1}, strengths were less than those observed at 10{sup {minus}5} s{sup {minus}1}, likely due to hydrofracturing within the specimen at rapid loading rates. Reduction in strength, corresponding to the decrease in strain rate, is explained in terms of stress corrosion cracking. A detailed examination of six specimens tested at a strain rate of 10{sup {minus}9} s{sup {minus}1}, using acoustic wave velocities and CT scans, shows a correlation between the nature of the microstructure of the specimens and the observed strengths and elastic moduli.

Static leach tests were performed in both 304L stainless steel and Teflon vessels using a synthetic high-level waste glass with either deionized water (DIW) or a tuff groundwater solution as the leachant to assess the effects of the vessel and the initial leachant composition on the extent and nature of the glass reaction. The tests were performed using monolith samples at 340 m{sup {minus}1} and crushed samplesat 2000 m{sup {minus}1} for times up to 1 year. The results show less silicon is released from the glass into the groundwater solution than into DIW at both high and low glass surface area/leachant volume ratios (SAN), but the alkali metal and boron releases are not affected by the leachant used. Tests performed in a stainless steel vessel resulted in slightly lower leachate pH values, but similar reaction rates to those performed in a Teflon vessel, as measured by the boron release. Blank tests with DIW or EJ-13 in the vessels showed the Teflon vessels to release small amounts of fluoride (1 to 2 ppm) and to acidify the DIW slightly (4.0 < pH < 5.6). The pH values of blank tests with EJ- 1 3 increased from 8.2 to about 8.6 in …

The regulations that currently govern repositories for spent fuel and high-level waste require demonstrations that are sometimes described as impossible to make. To make them will require an understanding of the current and the future phenomena at repository sites; it will also require credible estimates of the probabilities that the phenomena will occur in the distant future. Experts in many fields{emdash}earth sciences, statistics, numerical modeling, and the law{emdash}have questioned whether any amount of data collection can allow modelers to meet these requirements with enough confidence to satisfy the regulators. In recent years some performance assessments have begun to shed light on this question because they use results of actual site investigations. Although these studies do not settle the question definitively, a review of a recent total-system assessment suggests that compliance may be possible to demonstrate. The review also suggests, however, that the demonstration can be only at the ``reasonable`` levels of assurance mentioned, but not defined, in the regulations.

Experimental results exploring gravity-driven wetting front instability in a pre-wetted, rough-walled analog fracture are presented. Initial conditions considered include a uniform moisture field wetted to field capacity of the analog fracture and the structured moisture field created by unstable infiltration into an initially dry fracture. As in previous studies performed under dry initial conditions, instability was found to result both at the cessation of stable infiltration and at flux lower than the fracture capacity under gravitational driving force. Individual fingers were faster, narrower, longer, and more numerous than observed under dry initial conditions. Wetting fronts were found to follow existing wetted structure, providing a mechanism for rapid recharge and transport.

Paramount to the modeling of unsaturated flow and transport through fractured porous media is a clear understanding of the processes controlling fracture-matrix interaction. As a first step toward such an understanding, two preliminary experiments have been performed to investigate the influence of matrix imbibition on water percolation through unsaturated fractures in the plane normal to the fracture. Test systems consisted of thin slabs of either tuff or an analog material cut by a single vertical fracture into which a constant fluid flux was introduced. Transient moisture content and solute concentration fields were imaged by means of x-ray absorption. Flow fields associated with the two different media were significantly different owing to differences in material properties relative to the imposed flux. Richards` equation was found to be a valid means of modeling the imbibition of water into the tuff matrix from a saturated fracture for the current experiment.

In situ thermomechanical experiments are planned as part of the Yucca Mountain Site Characterization Project that require instruments to measure stress and displacement at temperatures that exceed the typical specifications of existing geotechnical instruments. A high degree of instrument reliability will also be required to satisfy the objectives of the experiments, therefore a study was undertaken to identify areas where improvement in instrument performance was required. A preliminary list of instruments required for the experiments was developed, based on existing test planning and analysis. Projected temperature requirements were compared to specifications of existing instruments to identify instrumentation development needs. Different instrument technologies, not currently employed in geotechnical instrumentation, were reviewed to identify potential improvements of existing designs for the high temperature environment. Technologies with strong potentials to improve instrument performance with relatively high reliability include graphite fiber composite materials, fiber optics, and video imagery.

Experiments investigating the behavior of individual, gravity-driven fingers in an initially dry, rough-walled analog fracture are presented. Fingers were initiated from constant flow to a point source. Finger structure is described in detail; specific phenomena observed include: desaturation behind the finger-tip, variation in finger path, intermittent flow structures, finger-tip bifurcation, and formation of dendritic sub-fingers. Measurements were made of finger-tip velocity, finger width, and finger-tip length. Non-dimensional forms of the measured variables are analyzed relative to the independent parameters, flow rate and gravitational gradient.

Pore scale invasion percolation theory is modified for imbibition of.wetting fluids into fractures. The effects of gravity, local aperture field geometry, and local in-plane air/water interfacial curvatureare included in the calculation of aperture filling potential which controls wetted structure growth within the fracture. The inclusion of gravity yields fingers oriented in the direction of the gravitational gradient. These fingers widen and tend to meander and branch more as the gravitational gradient decreases. In-plane interfacial curvature also greatly affects the wetted structure in both horizontal and nonhorizontal fractures causing the formation of macroscopic wetting fronts. The modified percolation model is used to simulate imbibition into an analogue rough-walled fracture where both fingering and horizontal imbibition experiments were previously conducted. Comparison of numerical and experimental results showed reasonably good agreement. This process oriented physical and numerical modeling is-a necessary step toward including gravity-driven fingering in models of flow and transport through unsaturated, fractured rock.

Several Savannah River Plant (SRL) glass compositions were reacted in steam at temperatures of 150 to 200{degrees}C. Half of the tests utilized actinide-doped monoliths and were exposed to an external ionizing gamma source, while the remainder were doped only with U and reacted without gamma exposure. All glass samples readily reacted to form secondary mineral phases within the first week of testing. An in situ layer of smectite initially developed on nonirradiated SRL 202 glass test samples. After 21 days, a thin layer of illite was precipitated from solution onto the smectite layer. A number of alteration products including zeolite, Casilicate, and alkali or alkaline earth uranyl silicate phases were also distributed over most sample surfaces. In the irradiated SRL 202 glass tests, up to three layers enveloped rounded, and sometimes fractured, glass cores. After 35 to 56 days these remnant cores were replaced by a mottled or banded Fe- and Si-rich material. The formation of some secondary mineral phases also has been accelerated in the irradiated tests, and in some instances, the irradiated environment may have led to the precipitation of a different suite of minerals. The alteration layer(s) developed at rates of 2.3 and 32 {mu}m/day for the …

Yucca Mountain, Nevada, USA, is being investigated for its suitability as a potential site for a geologic nuclear waste repository. As part of the site characterization studies, actinide solubilities and speciations were studied at pH 6, 7, and 8.5 at 25{degrees}C in two different groundwaters from the vicinity of Yucca Mountain. The groundwaters differ substantially in total dissolved carbonate concentration, and to a lesser extent in ionic strength. In the waters with higher carbonate content, the solubilities of neptunium(V) decreased, whereas those americium(III) increased at 25{degrees}KC and decreased at 60{degrees}C. The solids formed were sodium neptunium carbonates and americium hydroxycarbonates. Plutonium solubilities did not significantly change with changing water composition because the solubility-controlling solids were mostly amorphous Pu(IV) polymers that contained only small amounts of carbonate.

This paper discusses exposures of altered rock that have been thought to form by recent discharge of water from depth. They were examined to address a concern that hydrothermal processes could compromise the isolation capability of a potential high-level nuclear waste repository at Yucca Mountain. Suspected hot-spring and hydrothermal-vent deposits are more likely the products of infiltration of meteoric water into newly deposited and still-hot pyroclastic flows >12 Myr ago.