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DOE OSTI2020

Borehole Disposal of Radioactive Waste in Israel - 20388

Israel is assessing borehole disposal of radioactive waste. With limited geological options for disposal, intermediate-depth borehole disposal is being considered in the arid Yamin Plain region of the northeastern Negev desert at depths of several hundred meters below ground surface in the vadose zone. Unlike deep borehole disposal of several kilometers, which relies on emplacement below the depth of recirculating groundwater, the safety case for intermediate-depth borehole disposal relies more on the aridity of the vadose zone, the robustness of the waste package, and the other engineered barriers (e.g., seals, backfill materials) in the disposal borehole. As a tradeoff, the shallower depth may allow the use of a larger diameter borehole than would be possible for a deeper borehole. To study the suitability of the Yamin Plain region for borehole disposal, a small-diameter characterization borehole is being planned to retrieve core samples and to better understand the vadose zone geomechanical and hydrogeochemical properties and percolation flux. The information from the characterization borehole will inform the safety case, and together with performance assessment analyses will help to identify key areas of uncertainty and guide future research and development activities aimed at demonstrating the feasibility of the intermediate-depth borehole disposal concept in Israel. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRSDate not supplied

Preliminary Characterization of Spinel Troctolite Clast Identified in Apollo Next Generation Sample Analysis (ANGSA) Core 73002

The lunar magnesian (Mg-) suite is a diverse lithological group composed of Mg-rich mafic minerals. The Mg-suite consists primarily of troctolites, norites, gabbronorites, and spinel troctolites. These rocks exhibit contradictory geochemical traits, with mafic minerals bearing high Mg# (molar 100×Mg/[Mg+Fe]) indicating primitive parental magmas, but also plagioclase saturation and enrichments in incompatible trace elements (i.e., KREEP) indicate more evolved parental magmas. A variety of models have been invoked to explain the occurrence and petrogenesis of the Mg-suite. Here, we report on a new spinel troctolite clast found in Apollo Next Generation Sample Analysis (ANGSA) program core 73002. Sample 73002 was acquired at Station 3 during Apollo 17 as the upper part of a double-drive tube with sample 73001. During processing, the spinel troctolite clast (0.066 g) was found at the 4.0–4.5 cm depth interval.

A. C. Stadermann↗

DOE OSTI2020

Chapter 1: Introduction - Motivation of Polycrystalline Thin-Film Solar Cells

Thin-film solar cell development may be conceptualized as improving processes to lower costs and improve performance, with characterization as a guide along the way. Yet, pushing the boundaries of characterization is as much at the core of thin-film solar cell development as material synthesis. As PV continues to mature, there is an endless drive to improve performance to compete. Hence, PV technology is striving for increasing levels of perfection, requiring a corresponding sophistication in characterization and understanding. Consequently, the topic of this book -advanced characterization-is timely and critical to develop the potential of thin-film solar technology.

material synthesis↗

NASA NTRS2012

Microbial Characterization Space Solid Wastes Treated with a Heat Melt Compactor

The on going purpose of the project efforts was to characterize and determine the fate of microorganisms in space-generated solid wastes before and after processing by candidate solid waste processing. For FY 11, the candidate technology that was assessed was the Heat Melt Compactor (HMC). The scope included five HMC. product disks produced at ARC from either simulated space-generated trash or from actual space trash, Volume F compartment wet waste, returned on STS 130. This project used conventional microbiological methods to detect and enumerate microorganisms in heat melt compaction (HMC) product disks as well as surface swab samples of the HMC hardware before and after operation. In addition, biological indicators were added to the STS trash prior to compaction in order to determine if these spore-forming bacteria could survive the HMC processing conditions, i.e., high temperature (160 C) over a long duration (3 hrs). To ensure that surface dwelling microbes did not contaminate HMC product disk interiors, the disk surfaces were sanitized with 70% alcohol. Microbiological assays were run before and after sanitization and found that sanitization greatly reduced the number of identified isolates but did not totally eliminate them. To characterize the interior of the disks, ten 1.25 cm diameter core samples were aseptically obtained for each disk. These were run through the microbial characterization analyses. Low counts of bacteria, on the order of 5 to 50 per core, were found, indicating that the HMC operating conditions might not be sufficient for waste sterilization. However, the direct counts were 6 to 8 orders of magnitude greater, indicating that the vast majority of microbes present in the wastes were dead or non-cultivable. An additional indication that the HMC was sterilizing the wastes was the results from the added commercial spore test strips to the wastes prior to HMC operation. Nearly all could be recovered from the HMC disks post-operation and all were showed negative growth when run through the manufacturer's protocol, meaning that the 106 or so spores impregnated into the strips were dead. Control test strips, i.e., not exposed to the HMC conditions were all strongly positive. One area of concern is that the identities of isolates from the cultivable counts included several human pathogens, namely Staphylococcus aureus. The project reported here provides microbial characterization support to the Waste Management Systems element of the Life Support and Habitation Systems program.

Strayer, Richard F.↗

DOE OSTI2020

Equation of motion coupled-cluster cumulant approach for intrinsic losses in x-ray spectra

We present an equation of motion coupled cluster approach for calculating and understanding intrinsic inelastic losses in core level x-ray absorption spectra (XAS). The method is based on a factorization of the transition amplitude in the time-domain, which leads to a convolution of an effective one-body spectrum and the core-hole spectral function. The spectral function characterizes these losses in terms of shake-up excitations and satellites, and is calculated using a cumulant representation of the core-hole Green’s function that includes non-linear corrections. The one-body spectrum also includes orthogonality corrections that enhance the XAS at the edge.

Rehr, John J.↗

DOE OSTI2019

Numerical Prediction of Oscillation Behaviors of a Multiphase Core–Shell Droplet During Interfacial Tension Measurement

Interfacial tension between molten high-temperature materials is to be measured using the electrostatic levitation furnace (ELF) and the electromagnetic levitator (ISS-EML) aboard the International Space Station. A levitated compound droplet of a concentric core–shell structure is excited either by an impulsive electromagnetic field or by a superimposed electrostatic field. The oscillation behavior of the compound droplet is analyzed to measure interfacial tension at the interface of the two phases. In support of the space experiments, a computational fluid dynamic model was developed to characterize the oscillation behavior of multiphase core–shell droplet. The developed model predicted the interfacial tension between molten copper-rich and cobalt-rich phases with a difference of 3.3 pct compared to the values reported in literature. The developed model is being utilized to investigate the influence of various test parameters on measured surface tension and also being extended for molten steel–molten slag systems.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Multiscale Characterization of the Caney Shale — An Emerging Play in Oklahoma

From a hydrocarbon perspective, the Caney Shale has historically been evaluated as a sealing unit, which resulted in limited studies characterizing the rock properties of the Caney Shale and its suitability for hydraulic fracturing. The objective of our research is to help bridge the current knowledge gap through the integration of multiscale laboratory techniques and to characterize the macro- and microscale rock properties of the Caney Shale. We employed an integrated approach for the characterization of the Caney using 200 ft (61 m) of Caney core from a target well in southern Oklahoma. Core observation and petrographic analysis of thin sections were combined to characterize the general rock types and associated fabrics and textures. Mineralogical composition, pore system architecture, and rock fabric were analyzed using x-ray diffraction (XRD), scanning electron microscopy/energy dispersive x-ray spectroscopy (SEM/EDS), and focused ion beam (FIB)-SEM. In addition, rebound hardness and indentation testing were carried out to determine rock hardness (brittleness) and elasticity, respectively. With the integrated multiscale characterization, three mixed carbonate-siliciclastic rock types were identified — mudstone, calcareous siltstone, and silty carbonate — likely representing a spectrum of deposition from low to relatively high energy environments in the distal portions of a ramp system. Silty carbonate contains mostly interparticle pores. The calcareous siltstones and silty mudstones contain a combination of organic matter pores and interparticle pores. Each of the rock types shows unique mineralogical compositions based on XRD. The mudstone lithofacies has the highest clay content and the least carbonate content. Calcareous siltstones show moderate carbonate and clay content. Silty carbonate indicates the highest carbonate content with the least clay content. In an order of mudstone, calcareous siltstone, and silty carbonate, rebound hardness and Young’s modulus show an increasing trend. As a result of rock-fluid interactions, there are potential scaling reactions during completion and production that could ultimately affect permeability and production rates. Overall, the proposed multiscale integration approach is critical for the geologic characterization of most rocks. However, in shale reservoirs dominated by microporosity and microstructure where engineered fractures are expected to provide permeability at a reservoir scale, successful integration is essential. An optimized, integrated geological characterization of the Caney Shale that is well aligned with the engineering designs in drilling, completing, and producing wellbores will ultimately lead to optimal production while providing safe and environmentally responsible operations.

Wang, Yulun↗

DOE OSTI2024

Accelerating CO2 Storage Site Characterization through a New Understanding of Favorable Formation Properties and the Impact of Core-Scale Heterogeneities

CO2 sequestration in deep geologic formations can permanently reduce atmospheric CO2 emissions and help to abate climate change. Target formations must undergo a time- and resource-intensive site evaluation process, assessing storage capacity, environmental safety, and suitability for CO2 trapping via reactive transport models based on data from a limited number of core samples. As such, simulations are often simplified and omit heterogeneities in formation properties that may be significant but are not well understood. To facilitate more rapid site assessment, this work first defines the aquifer properties of favorable storage formations through the analysis of promising and active storage sites. Data show quartz is the most prevalent formation mineral with carbonate minerals, highly reactive with injected CO2, present in over 75% of formations. Porosity and permeability data are highly clustered at 10–30% and 10–1000 mD. Field-scale reactive transport simulations are then constructed and used to analyze CO2 trapping efficiency. The models consider porosity and carbonate mineral heterogeneity as well as the impacts of typical temperature gradients. Simulated sequestration efficiencies are compared to results from a comparable homogenous model to understand the implications of aquifer non-uniformities. The results show a lower sequestration efficiency in the homogeneous model during the injection phase. During the post-injection phase, the homogenization of porosity and carbonate mineralogy results in a higher sequestration efficiency. Incorporating the temperature gradient also increases the sequestration efficiency. Importantly, the maximum deviation between the homogeneous and heterogeneous simulations at the end of the 50-year study period is only ~10%. Larger impacts may be incurred for properties outside the defined, promising ranges suggested here.

Environmental Sciences & Ecology↗

DOE OSTI2022

13 C ENDOR Characterization of the Central Carbon within the Nitrogenase Catalytic Cofactor Indicates That the CFe 6 Core Is a Stabilizing “Heart of Steel”

Substrates and inhibitors of Mo-dependent nitrogenase bind and react at Fe ions of the active-site FeMo-cofactor [7Fe–9S–C–Mo–homocitrate] contained within the MoFe protein α-subunit. The cofactor contains a CFe 6 core, a carbon centered within a trigonal prism of six Fe, whose role in catalysis is unknown. Targeted 13 C labeling of the carbon enables electron-nuclear double resonance (ENDOR) spectroscopy to sensitively monitor the electronic properties of the Fe–C bonds and the spin-coupling scheme adopted by the FeMo-cofactor metal ions. Here this report compares 13 CFe 6 ENDOR measurements for (i) the wild-type protein resting state (E 0 ; α-Val 70 ) to those of (ii) α-Ile 70 , (iii) α-Ala 70 -substituted proteins; (iv) crystallographically characterized CO-inhibited “hi-CO” state; (v) E 4 (4H) Janus intermediate, activated for N 2 binding/reduction by accumulation of 4[ e– /H + ]; (vi) E 4 (2H)* state containing a doubly reduced FeMo-cofactor without Fe-bound substrates; and (vii) propargyl alcohol reduction intermediate having allyl alcohol bound as a ferracycle to FeMo-cofactor Fe6. All states examined, both S = 1/2 and 3/2 exhibited near-zero 13 C isotropic hyperfine coupling constants, $^Ca$ = [-1.3 ↔ +2.7] MHz. Density functional theory computations and natural bond orbital analysis of the Fe-C bonds show that this occurs because a (3 spin-up/3 spin-down) spin-exchange configuration of CFe 6 Fe-ion spins produces cancellation of large spin-transfers to carbon in each Fe–C bond. Previous X-ray diffraction and DFT both indicate that trigonal-prismatic geometry around carbon is maintained with high precision in all these states. The persistent structure and Fe–C bonding of the CFe 6 core indicate that it does not provide a functionally dynamic (hemilabile) “beating heart”-instead it acts as “a heart of steel”, stabilizing the structure of the FeMo-cofactor-active site during nitrogenase catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

White dwarfs and mass segregation in the core of 47 Tucanae

The core of the galactic globular cluster (GC) 47 Tucanae was observed by the Faint Object Camera (FOC) on the refurbished Hubble Space Telescope (HST) for the first time through medium-band F253M and F346M filters centered at 255 and 348 nm. A total of 442 stars down to the detection limit at m(sub 346) approximately equal to 24 in the 7 sec x 7 sec field were accurately placed on a m(sub 346) versus m(sub 253) - M(sub 346) magnitude diagram to characterize the stellar populations in the core. Approximately 100 objects above and to the right of the main-sequence (MS) turnoff (TO) are the same as those classified earlier with the aberrated HST, but the rest below it are new objects seen now for the first time thanks to the substantial improvement in sensitivity. The new objects form a well-defined main sequence whose luminosity function (LF) turns over dramatically at m(sub 346) approximately equal to 19 well before the completeness limit and well before the end of the slowly increasing luminosity function for the outer fields measured from the ground by Hesser et al. We interpret this premature drop in the number of stars below approximately 0.8 solar masses in the core as the effect of mass segregation due to two-body relaxation. The position of nine objects in the range 20 less than m(sub 346) less than 24 and -1.5 less than m(sub 253) - m(sub 346) less than 0 is consistent with the expected location of a approx. a half solar mass white dwarf cooling sequence and luminosity function.

Paresce, Francesco↗

NASA NTRS2017

Multi-Layer RF Tissue Phantoms for Mimicking a Human Core

This work presents the design recipe, fabrication process and characterization of tissue-simulating materials, configured as a physical model to mimic the electrical and some physical properties of an abdominal cavity. The complete three layer design is called the human core model (HCM). To our knowledge, presented is the first hybrid skin-muscle phantom developed to mimic the electrical properties of the intervening tissue layers of an abdominal cavity within the frequency band of 1 GHz 2 GHz, a band of interest for human body sensing due to its deep detection depth. To complete the model, a liquid blood phantom was also developed and characterized in this frequency band. The phantoms were characterized with respect to complex dielectric constant using the Agilent 85070E dielectric probe kit, and the results compared to the Gabriel model, which is used as the standard for human tissue characterization. Since the tissue impedance is an important parameter for characterizing on-body sensors and near field antenna performance, the impedance of the phantoms were also calculated and presented in the analysis.

Bonds, Quenton↗

DOE OSTI2021

Initial use of Nek5000/Cardinal to improve closure models in Pronghorn

Heat transfer coefficient closure models for pebble bed reactors are built using a data-driven approach by leveraging the capabilities of an Evolutionary Algorithm entitled Particle Swarm Optimization (PSO). In the present work, the Computational Fluid Dynamics code nekRS was used in order to collect the high-fidelity flow data for a core with 1,568 pebbles. To characterize the heat transfer, multiple concentric regions were considered to extract the physical quantities of interest, e.g./ the Reynolds number. The PSO algorithm is employed as part of an inverse problem targeting determine what are the coefficients for a Nusselt number correlation to match the collected data. Such correlation should follow any given format that is defined a priori. Finally, two correlations are proposed, one with an implicit dependence on the pebbles’ wall temperatures and another expressed as a fully explicit correlation depending on the flow conditions and the position within the core. Anyway, given the generic nature of the proposed approach, correlations following different formats could be tested. Preliminary results for the high-fidelity simulation of a fast MSR core are presented. The target Reynolds number is currently 20K, with the expectation that this will increase, pending the availability of further computational resources. These simulations will be used to inform lower fidelity models, including a coarse CFD turbulence model in Pronghorn. Additionally, they will serve as a reference for the RANS models in Nek5000/NekRS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Design and full core fuel performance assessment of high burnup cores for 4-loop PWRs

Increasing the fuel discharge burnup of current light water reactors (LWRs) promises reductions in fuel cycle and/or operations costs. By assuming a constant core power density, the economic gain is enabled by better fuel utilization and/or an increased capacity factor. In this effort to investigate greater than 62 MWd/kgU maximum rod average burnup for 110+ kW/l core power density, two core designs have been developed for a standard 17x17, 193 fuel assemblies pressurized water reactor (PWR). The levelized unit cost methodology is employed to evaluate fuel cycle, operation and maintenance, and capital cost impacts and to examine the economic viability of both core design pathways. Core design and optimization are performed using the commercial STUDSVIK code package. Fuel performance analysis is realized in full core configuration via auditing FRAPCON4.1, FAST1.2, and the high-fidelity code BISON. To provide a realistic assessment, the core design process takes into consideration best practices in current PWR core design. It features acceptable performance in terms of various core design constraints on maximum allowable peaking and boron concentration. Gadolinia (Gd2O3) is used as a burnable poison with a maximum of 9 wt% concentration while feeding 89 or 77 fuel assemblies in a 3-batch refueling scheme. Full core fuel performance simulation, which allows for characterization of relevant fuel temperatures, plenum pressures, stresses, and strains, is performed with respect to two bounding burnup levels. Such performance is potentially licensable for the 18-month high burnup core (<68 MWd/kgU peak pin), while it is more challenging for the 24-month high burnup core design pathway (<75 MWd/kgU peak pin). Maximum rod plenum pressure is identified as the most limiting fuel performance parameter. Here, while the scope of the present study focuses on the steady-state plus overpower conditions, the acceptability of the new discharge burnup has to be further assessed by considering uncertainties and impacts under accident scenarios in the future.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1972

Out-of-core Evaluations of Uranium Nitride-fueled Converters

Two uranium nitride fueled converters were tested parametrically for their initial characterization and are currently being life-tested out of core. Test method being employed for the parametric and the diagnostic measurements during the life tests, and test results are presented. One converter with a rhenium emitter had an initial output power density of 6.9 W/ sq cm at the black body emitter temperature of 1900 K. The power density remained unchanged for the first 1000 hr of life test but degraded nearly 50% percent during the following 1000 hr. Electrode work function measurements indicated that the uranium fuel was diffusing out of the emitter clad of 0.635 mm. The other converter with a tungsten emitter had an initial output power density of 2.2 W/ sq cm at 1900 K with a power density of 3.9 W/sq cm at 4300 h. The power density suddenly degraded within 20 hr to practically zero output at 4735 hr.

Shimada, K.↗

NASA NTRS1991

The structure and development of streamwise vortex arrays embedded in a turbulent boundary layer

An investigation of the structure and development of streamwise vortices embedded in a turbulent boundary layer was conducted. The vortices were generated by a single spanwise row of rectangular vortex generator blades. A single embedded vortex was examined, as well as arrays of embedded counter rotating vortices produced by equally spaced vortex generators. Measurements of the secondary velocity field in the crossplane provided the basis for characterization of vortex structure. Vortex structure was characterized by four descriptors. The center of each vortex core was located at the spanwise and normal position of peak streamwise vorticity. Vortex concentration was characterized by the magnitude of the peak streamwise vorticity, and the vortex strength by its circulation. Measurements of the secondary velocity field were conducted at two crossplane locations to examine the streamwise development of the vortex arrays. Large initial spacings of the vortex generators produced pairs of strong vortices which tended to move away from the wall region while smaller spacings produced tight arrays of weak vortices close to the wall. A model of vortex interaction and development is constructed using the experimental results. The model is based on the structure of the Oseen Vortex. Vortex trajectories are modelled by including the convective effects of neighbors.

Wendt, Bruce J.↗

NASA NTRS2017

Multi-Layer RF Tissue Phantoms for Mimicking a Human Core

Biomedical Microwave Sensing↗

DOE OSTI2026

High resolution measurements of core density collapse dynamics in LHD

The core density collapse (CDC) is an abrupt instability that degrades the performance of super dense core stellarator plasmas on the Large Helical Device (LHD). In LHD, CDCs have proved to be an operational limit in so-called outward-shifted configurations. New measurements with high time resolution Thomson scattering characterize dynamics of the instability in the core. The density profile is observed to collapse inwards, narrowing the density peak till the core itself collapses. A hot, radially localized feature is also observed in the electron temperature profile during the collapse and disappears within a few hundred microseconds of CDC onset.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Coupled Hydromechanical Modeling and Assessment of Induced Seismicity at FWU: Utilizing Time-Lapse VSP and Microseismic Data

The objective of this work is to utilize integrated geomechanics, field vertical seismic profile (VSP) and microseismic data to characterize the complex subsurface stress conditions at the Farnsworth Unit (FWU). The model is based on a five-spot sector model extracted from a primary geomechanical model. The five-spot well injection pattern is characterized by extensive reservoir characterization data, such well logs, extracted cores and borehole geophone data, to facilitate the detailed examination of stress changes and microseismic event occurrences. The study utilizes field vertical seismic volumes acquired from the injection well 13-10A. The seismic volumes successfully provided snapshots of the behavior of the reservoir at distinct times. The use of VSP and microseismic data provided direct and indirect estimates of the dynamic stress changes occurring in the overburden, reservoir and underburden rock formations. In order to illuminate the stress regions and identify rocks that have undergone inelastic failure, microseismic event occurrences were utilized. Microseismic activity has been detected at the FWU; further study of its locations, timing, and magnitude was needed to deduce the nature of the changing stress state. The results of the study revealed that microseismic events were successfully modeled within the Morrow B formation. Moment magnitudes of seismic events were within the same magnitudes for events in the reservoir, suggesting the suitability of the model. The results of the study showed that the computed moment magnitudes for seismic events were insignificant to warrant safety concerns. The study findings showed the usefulness of coupled hydromechanical models in predicting the subsurface stress changes associated with CO 2 injection. The knowledge gained from this study will serve as a guideline for industries planning to undertake underground CO 2 storage, and characterize the subsurface stress changes.

02 PETROLEUM↗