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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Modeling the effects of fire severity and climate warming on active layer thickness and soil carbon storage of black spruce forests across the landscape in interior Alaska

There is a substantial amount of carbon stored in the permafrost soils of boreal forest ecosystems, where it is currently protected from decomposition. The surface organic horizons insulate the deeper soil from variations in atmospheric temperature. The removal of these insulating horizons through consumption by fire increases the vulnerability of permafrost to thaw, and the carbon stored in permafrost to decomposition. In this study we ask how warming and fire regime may influence spatial and temporal changes in active layer and carbon dynamics across a boreal forest landscape in interior Alaska. To address this question, we (1) developed and tested a predictive model of the effect of fire severity on soil organic horizons that depends on landscape-level conditions and (2) used this model to evaluate the long-term consequences of warming and changes in fire regime on active layer and soil carbon dynamics of black spruce forests across interior Alaska. The predictive model of fire severity, designed from the analysis of field observations, reproduces the effect of local topography (landform category, the slope angle and aspect and flow accumulation), weather conditions (drought index, soil moisture) and fire characteristics (day of year and size of the fire) on the reduction of the organic layercaused by fire. The integration of the fire severity model into an ecosystem process-based model allowed us to document the relative importance and interactions among local topography, fire regime and climate warming on active layer and soil carbon dynamics. Lowlands were more resistant to severe fires and climate warming, showing smaller increases in active layer thickness and soil carbon loss compared to drier flat uplands and slopes. In simulations that included the effects of both warming and fire at the regional scale, fire was primarily responsible for a reduction in organic layer thickness of 0.06 m on average by 2100 that led to an increase in active layer thickness of 1.1 m on average by 2100. The combination of warming and fire led to a simulated cumulative loss of 9.6 kgC m 2 on average by 2100. Our analysis suggests that ecosystem carbon storage in boreal forests in interior Alaska is particularly vulnerable, primarily due to the combustion of organic layer thickness in fire and the related increase in active layer thickness that exposes previously protected permafrost soil carbon to decomposition.

Genet, Helene↗
DOE OSTI2022

Generation of Data-Driven Expected Energy Models for Photovoltaic Systems

Although unique expected energy models can be generated for a given photovoltaic (PV) site, a standardized model is also needed to facilitate performance comparisons across fleets. Current standardized expected energy models for PV work well with sparse data, but they have demonstrated significant over-estimations, which impacts accurate diagnoses of field operations and maintenance issues. This research addresses this issue by using machine learning to develop a data-driven expected energy model that can more accurately generate inferences for energy production of PV systems. Irradiance and system capacity information was used from 172 sites across the United States to train a series of models using Lasso linear regression. The trained models generally perform better than the commonly used expected energy model from international standard (IEC 61724-1), with the two highest performing models ranging in model complexity from a third-order polynomial with 10 parameters (Radj2 = 0.994) to a simpler, second-order polynomial with 4 parameters (Radj2=0.993), the latter of which is subject to further evaluation. Subsequently, the trained models provide a more robust basis for identifying potential energy anomalies for operations and maintenance activities as well as informing planning-related financial assessments. We conclude with directions for future research, such as using splines to improve model continuity and better capture systems with low (≤1000 kW DC) capacity.

14 SOLAR ENERGY↗
DOE OSTI2011

Application of Developed APCVD Transparent Conducting Oxides and Undercoat Technologies for Economical OLED Lighting

Economics is a key factor for application of organic light emitting diodes (OLED) in general lighting relative to OLED flat panel displays that can handle high cost materials such as indium tin oxide (ITO) or Indium zinc oxide (IZO) as the transparent conducting oxide (TCO) on display glass. However, for OLED lighting to penetrate into general illumination, economics and sustainable materials are critical. The issues with ITO have been documented at the DOE SSL R&D and Manufacturing workshops for the last 5 years and the issue is being exacerbated by export controls from China (one of the major sources of elemental indium). Therefore, ITO is not sustainable because of the fluctuating costs and the United States (US) dependency on other nations such as China. Numerous alternatives to ITO/IZO are being evaluated such as Ag nanoparticles/nanowires, carbon nanotubes, graphene, and other metal oxides. Of these other metal oxides, doped zinc oxide has attracted a lot of attention over the last 10 years. The volume of zinc mined is a factor of 80,000 greater than indium and the US has significant volumes of zinc mined domestically, resulting in the ability for the US to be self-sufficient for this element that can be used in optoelectronic applications. The costs of elemental zinc is over 2 orders of magnitude less than indium, reflecting the relative abundance and availability of the elements. Arkema Inc. and an international primary glass manufacturing company, which is located in the United States, have developed doped zinc oxide technology for solar control windows. The genesis of this DOE SSL project was to determine if doped zinc oxide technology can be taken from the commodity based window market and translate the technology to OLED lighting. Thus, Arkema Inc. sought out experts, Philips Lighting, Pacific Northwest National Laboratories (PNNL) and National Renewable Research Laboratories (NREL), in OLED devices and brought them into the project. This project had a clear focus on economics and the work plan focused both on doped ZnO process and OLED device structure that would be consistent with the new TCO. The team successfully made 6 inch OLEDs with a serial construction. More process development is required to optimize commercial OLED structures. Feasibility was demonstrated on two different light extraction technologies: 1/4 lambda refractive index matching and high-low-high band pass filter. Process development was also completed on the key precursors for the TCO, which are ready for pilot-plant scale-up. Subsequently, Arkema has developed a cost of ownership model that is consistent with DOE SSL R&D Manufacturing targets as outlined in the DOE SSL R&D Manufacturing 2010 report. The overall outcome of this project was the demonstration that doped zinc oxide can be used for OLED devices without a drop-off in performance while gaining the economic and sustainable benefits of a more readily available TCO. The broad impact of this project, is the facilitation of OLED lighting market penetration into general illumination, resulting in significant energy savings, decreased greenhouse emissions, with no environmental impact issues such as mercury found in Fluorescent technology. The primary objective of this project was to develop a commercially viable process for 'Substrates' (Substrate/ undercoat/ TCO topcoat) to be used in production of OLED devices (lamps/luminaries/modules). This project focused on using Arkema's recently developed doped ZnO technology for the Fenestration industry and applying the technology to the OLED lighting industry. The secondary objective was the use of undercoat technology to improve light extraction from the OLED device. In optical fields and window applications, technology has been developed to mitigate reflection losses by selecting appropriate thicknesses and refractive indices of coatings applied either below or above the functional layer of interest. This technology has been proven and implemented in the fenestration industry for more than 15 years. Successful completion of this project would provide doped ZnO coated on inexpensive soda lime glass resulting in a significantly lower cost relative to the current ITO coated Flat Panel Display Glass substrates. Additional benefits will be a more consistent TCO that does not need an activation step with better optical performance. Clearly, this will serve to enhance penetration of OLED technologies into the lighting market.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Geologic carbon sequestration as a global strategy to mitigate CO2 emissions: Sustainability and environmental risk

Fossil fuels are abundant, inexpensive to produce, and are easily converted to usable energy by combustion as demonstrated by mankind's dependence on fossil fuels for over 80% of its primary energy supply (13). This reliance on fossil fuels comes with the cost of carbon dioxide (CO{sub 2}) emissions that exceed the rate at which CO{sub 2} can be absorbed by terrestrial and oceanic systems worldwide resulting in increases in atmospheric CO{sub 2} concentration as recorded by direct measurements over more than five decades (14). Carbon dioxide is the main greenhouse gas linked to global warming and associated climate change, the impacts of which are currently being observed around the world, and projections of which include alarming consequences such as water and food shortages, sea level rise, and social disruptions associated with resource scarcity (15). The current situation of a world that derives the bulk of its energy from fossil fuel in a manner that directly causes climate change equates to an energy-climate crisis. Although governments around the world have only recently begun to consider policies to avoid the direst projections of climate change and its impacts, sustainable approaches to addressing the crisis are available. The common thread of feasible strategies to the energy climate crisis is the simultaneous use of multiple approaches based on available technologies (e.g., 16). Efficiency improvements (e.g., in building energy use), increased use of natural gas relative to coal, and increased development of renewables such as solar, wind, and geothermal, along with nuclear energy, are all available options that will reduce net CO{sub 2} emissions. While improvements in efficiency can be made rapidly and will pay for themselves, the slower pace of change and greater monetary costs associated with increased use of renewables and nuclear energy suggests an additional approach is needed to help bridge the time period between the present and a future when low-carbon energy is considered cheap enough to replace fossil fuels. Carbon dioxide capture and storage (CCS) is one such bridging technology (1). CCS has been the focus of an increasing amount of research over the last 15-20 years and is the subject of a comprehensive IPCC report that thoroughly covers the subject (1). CCS is currently being carried out in several countries around the world in conjunction with natural gas extraction (e.g., 2, 3) and enhanced oil recovery (17). Despite this progress, widespread deployment of CCS remains the subject of research and future plans rather than present action on the scale needed to mitigate emissions from the perspective of climate change. The reasons for delay in deploying CCS more widely are concerns about cost (18), regulatory and legal uncertainty (19), and potential environmental impacts (21). This chapter discusses the long-term (decadal) sustainability and environmental hazards associated with the geologic CO{sub 2} storage (GCS) component of large-scale CCS (e.g., 20). Discussion here barely touches on capture and transport of CO{sub 2} which will occur above ground and which are similar to existing engineering, chemical processing, and pipeline transport activities and are therefore easier to evaluate with respect to risk assessment and feasibility. The focus of this chapter is on the more uncertain part of CCS, namely geologic storage. The primary concern for sustainability of GCS is whether there is sufficient capacity in sedimentary basins worldwide to contain the large of amounts of CO{sub 2} needed to address climate change. But there is also a link between sustainability and environmental impacts. Specifically, if GCS is found to cause unacceptable impacts that are considered worse than its climate-change mitigation benefits, the approach will not be widely adopted. Hence, GCS has elements of sustainability insofar as capacity of the subsurface for CO{sub 2} is concerned, and also in terms of whether the associated environmental risks are acceptable or not to the public.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Validation of Fault Displacements from Dynamic Rupture Simulations against the Observations from the 1992 Landers Earthquake

ABSTRACT Coseismic fault displacements in large earthquakes have caused significant damage to structures and lifelines on and near fault lines. Coseismic displacements represent a real threat, especially to distributed infrastructure systems. For infrastructure systems that can not avoid active faults, engineering displacement demands are defined using probabilistic fault-displacement hazard analyses (PFDHA). However, PFDHA models are sparse and poorly constrained partly due to the scarcity of detailed fault-displacement observations. Advancements in dynamic rupture simulation methods make them an attractive approach to address this important issue. Because fault displacements can be simulated for various geologic conditions as constrained by current knowledge about earthquake processes, they can be used to supplement the observation datasets. In addition to providing on-fault displacements, when used with appropriate constitutive models for the bulk medium, they can capture off-fault distributed inelastic deformations as well. For viable extrapolation, simulations must first be validated against data. In this article, we summarize the calibration and validation of the dynamic rupture model against the observations of the well-documented 1992 Landers earthquake. We defined a preferred model that reproduces several first-order fault-displacement metrics such as the on-fault partition of the total displacement, the mean fault-zone width, and the location of the peak displacement. Simulated ground motions consistent with the observations ensure that all physics important to modeling have been properly parameterized. For the extrapolation, we generated a suite of dynamic rupture models to quantify expected fault-displacement metrics, their intercorrelations, and magnitude dependencies, which are in part supported by the Landers and other recent earthquakes. Our validation and extrapolation exercise paves the way for using dynamic rupture modeling to quantitatively address fault-displacement hazard on a broader scale. The results are promising and are expected to be useful to inform PFDHA model development.

Geochemistry & Geophysics↗
DOE OSTI2018

Assessing High-energy, Laser-driven, X-ray Sources as a Technique to Analyse ILW Containers - 18242

The principle concern regarding intermediate level waste (ILW) containers is the internal volumetric expansion due to the formation of corrosion products. To tackle this (via non-destructive testing) the development of a new technique to identify problematic containers was initiated by radiographic imaging and neutron assay of small scale, simulated, nuclear waste packages. This was achieved using a high-energy laser pulse to produce a bright burst of high-energy Bremsstrahlung radiation for imaging and a pulse of thermal energy neutrons for isotopic quantification. The small scale, simulated, nuclear waste packages (typically a quarter of a 28 mm natural uranium penny encased in grout) were produced with corrosion from oxygen and hydrogen rich environments to simulate the potential effects of long term storage. These samples were characterised using electron and ion beam techniques prior to encapsulation to establish the extent of corrosion and sample morphology. The small-scale samples were analysed using high-resolution x-ray tomography (XRT). These 3D pictures identified the corrosion state of the material and the effect on the surrounding grout matrix. These data sets were used as a baseline to compare with the 2D images obtained from the high-energy radiography to ascertain the imaging quality and potential capability of a laser driven inspection system. The study established the non-destructive imaging capability of a high-energy laser driven x-ray source for identifying fine features such as corrosion products on uranium samples encased in grout and cracks, and for penetrative imaging through large thicknesses of grout. In addition, generation of laser-driven neutrons of thermal energy required for active interrogation of uranium isotopes is demonstrated experimentally and simulations of the neutron inspection method are presented, thus paving the way for criticality testing of ILW containers. This current study is single pulse exposure acquisition, but the data can be used to predict the potential capability of a diode-pumped laser-driven system operating at, or above, 10 Hz by utilising, for example, the Dipole laser technology recently delivered by the STFC Central Laser Facility. Such a system will enable 3D tomography of nuclear waste containers and also greatly reduced signal to noise ratio via multiple acquisition and image stacking. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

Melter Testing for Technetium Removal Using Goethite Precipitation

During vitrification of low activity waste (LAW) at the Hanford Tank Waste Treatment and Immobilization Plant (WTP), liquid effluents are produced in the primary off-gas treatment system that processes the exhaust gases from the LAW melters. That effluent stream, which contains captured hazardous and radioactive species from the melter exhaust, is then recycled and eventually becomes part of subsequent melter feed batches. Other constituents, such as sulfur and halides, are also recycled in this process and this can impact the LAW glass loadings that are achievable. Thus, breaking the melter recycle loop could have advantages with respect to reducing LAW glass volumes. However, this recycle stream cannot currently be diverted to liquid secondary waste treatment because of the levels of several constituents in the scrub solutions, particularly technetium. Researchers at Pacific Northwest National Laboratory (PNNL) have been investigating a process whereby the technetium could be precipitated from the off-gas recycle stream in the mineral goethite ((Tc, Fe)OOH). It could then be diverted to the high level waste (HLW) stream through the WTP pretreatment facility and the decontaminated liquid stream could be sent to secondary waste treatment. As part of the test program to develop the goethite precipitation process, it is necessary to assess the impacts of including this material in the HLW melter feed and the extent to which the captured technetium is volatilized during HLW vitrification. To support such testing, sufficiently large batches of material were prepared at PNNL using rhenium as a surrogate for technetium. These materials were shipped to the Vitreous State Laboratory (VSL) of the Catholic University of America (CUA) for testing on a DuraMelter 10 (DM10) small-scale joule-heated ceramic melter system. This report describes the testing that was performed with those materials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

French Innovative Thermal Treatment Processes for The Management Radioactive Organic Liquid Waste - 19017

The nuclear industry as well as hospitals or some research laboratories produce Radioactive Organic Liquid Waste (ROLW) such as scintillation cocktails for medical imaging, labeled molecules for medical research or liquids from former activities. In order to be compatible with disposal facilities requirements, this waste must be inerted and stabilized in solid matrix. The route generally used is incineration in the Centraco facilities at the Marcoule site (Gard, France), ashes produced being cemented downstream. However, liquids whose chemical or radiological characteristics are not compatible with the incinerator operating rules (high level of {sup 14}C or halogen content, corrosive gas production etc.) cannot follow this path. The purpose of the MILOR project is then to propose alternative paths to treat all kinds of ROLW. Initiated in September 2017, this project has the technical objective of developing, over a four-year period, two pilot-scale mineralization processes. Two variants of complementary plasma technologies are evaluated: aerial plasma with the 'IDOHL' process and submerged plasma with the 'ELIPSE' process. Compared with other methods, thermal plasmas have unique characteristics such as rapid decomposition with high throughput, fast startup and shutdown, and high-energy delivery. The process called IDOHL consists of a process involving an induction plasma in which the liquids are directly introduced. It has been designed for organic liquids without mineral load and for treatment rates less than 0.5 l/h. This type of plasma allows the destruction of liquid organohalogens without any prior evaporation or treatment. Specific gas treatment systems have been developed to direct the gas produced to a dry or wet gas treatment system. One aim of the project is to subsequently install the process in a radioactive zone at Saclay DRF. The second called ELIPSE consists of a breakthrough process involving a submerged plasma at the heart of which organic liquids are also introduced. Current research has demonstrated that such a technique may enable the instantaneous and complete destruction of liquids with a wide variety of constituents, such as chlorine, fluorine, or phosphorus. The submersion solution offers many advantages: quenching and cleaning of combustion gases; filtering of the particles they contain; and cooling maintained for the entire process, which guarantees excellent corrosion control. An advantage of this type of design is that the gas treatment system can be reduced to a demister-condenser followed by a simple safety filter, thereby offering the additional advantage of an extremely compact treatment system. This design also allows the ELIPSE process to become by this way an embeddable process if required. The MILOR project, financed by the French State through investment program is a tripartite project bringing together Andra, in charge of radioactive waste management, the CEA in charge of leading scientific and technological researches to propose effective ways of treatment and the company A3i whose role is to ensure the subsequent industrial development. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

A prototype scintillator real‐time beam monitor for ultra‐high dose rate radiotherapy

Background: FLASH Radiotherapy (RT) is an emergent cancer RT modality where an entire therapeutic dose is delivered at more than 1000 times higher dose rate than conventional RT. For clinical trials to be conducted safely, a precise and fast beam monitor that can generate out-of-tolerance beam interrupts is required. This paper describes the overall concept and provides results from a prototype ultra-fast, scintillator-based beam monitor for both proton and electron beam FLASH applications. Purpose: A FLASH Beam Scintillator Monitor (FBSM) is being developed that employs a novel proprietary scintillator material. The FBSM has capabilities that conventional RT detector technologies are unable to simultaneously provide: (1) large area coverage; (2) a low mass profile; (3) a linear response over a broad dynamic range; (4) radiation hardness; (5) real-time analysis to provide an IEC-compliant fast beam-interrupt signal based on true two-dimensional beam imaging, radiation dosimetry and excellent spatial resolution. Methods: The FBSM uses a proprietary low mass, less than 0.5 mm water equivalent, non-hygroscopic, radiation tolerant scintillator material (designated HM: hybrid material) that is viewed by high frame rate CMOS cameras. Folded optics using mirrors enable a thin monitor profile of ∼10 cm. A field programmable gate array (FPGA) data acquisition system generates real-time analysis on a time scale appropriate to the FLASH RT beam modality: 100–1000 Hz for pulsed electrons and 10–20 kHz for quasi-continuous scanning proton pencil beams. An ion beam monitor served as the initial development platform for this work and was tested in low energy heavy-ion beams ( 86 Kr +26 and protons). A prototype FBSM was fabricated and then tested in various radiation beams that included FLASH level dose per pulse electron beams, and a hospital RT clinic with electron beams. Results: Results presented in this report include image quality, response linearity, radiation hardness, spatial resolution, and real-time data processing. Furthermore, the HM scintillator was found to be highly radiation damage resistant. It exhibited a small 0.025%/kGy signal decrease from a 216 kGy cumulative dose resulting from continuous exposure for 15 min at a FLASH compatible dose rate of 237 Gy/s. Measurements of the signal amplitude versus beam fluence demonstrate linear response of the FBSM at FLASH compatible dose rates of >40 Gy/s. Comparison with commercial Gafchromic film indicates that the FBSM produces a high resolution 2D beam image and can reproduce a nearly identical beam profile, including primary beam tails. The spatial resolution was measured at 35–40 µm. Tests of the firmware beta version show successful operation at 20 000 Hz frame rate or 50 µs/frame, where the real-time analysis of the beam parameters is achieved in less than 1 µs. Conclusions: The FBSM is designed to provide real-time beam profile monitoring over a large active area without significantly degrading the beam quality. A prototype device has been staged in particle beams at currents of single particles up to FLASH level dose rates, using both continuous ion beams and pulsed electron beams. Using a novel scintillator, beam profiling has been demonstrated for currents extending from single particles to 10 nA currents. Radiation damage is minimal and even under FLASH conditions would require ≥50 kGy of accumulated exposure in a single spot to result in a 1% decrease in signal output. Beam imaging is comparable to radiochromic films, and provides immediate images without hours of processing. Real-time data processing, taking less than 50 µs (combined data transfer and analysis times), has been implemented in firmware for 20 kHz frame rates for continuous proton beams.

2D beam imaging↗
DOE OSTI2011

Quantum Monte Carlo Endstation for Petascale Computing

NCSU research group has been focused on accomplising the key goals of this initiative: establishing new generation of quantum Monte Carlo (QMC) computational tools as a part of Endstation petaflop initiative for use at the DOE ORNL computational facilities and for use by computational electronic structure community at large; carrying out high accuracy quantum Monte Carlo demonstration projects in application of these tools to the forefront electronic structure problems in molecular and solid systems; expanding the impact of QMC methods and approaches; explaining and enhancing the impact of these advanced computational approaches. In particular, we have developed quantum Monte Carlo code (QWalk, www.qwalk.org) which was significantly expanded and optimized using funds from this support and at present became an actively used tool in the petascale regime by ORNL researchers and beyond. These developments have been built upon efforts undertaken by the PI's group and collaborators over the period of the last decade. The code was optimized and tested extensively on a number of parallel architectures including petaflop ORNL Jaguar machine. We have developed and redesigned a number of code modules such as evaluation of wave functions and orbitals, calculations of pfaffians and introduction of backflow coordinates together with overall organization of the code and random walker distribution over multicore architectures. We have addressed several bottlenecks such as load balancing and verified efficiency and accuracy of the calculations with the other groups of the Endstation team. The QWalk package contains about 50,000 lines of high quality object-oriented C++ and includes also interfaces to data files from other conventional electronic structure codes such as Gamess, Gaussian, Crystal and others. This grant supported PI for one month during summers, a full-time postdoc and partially three graduate students over the period of the grant duration, it has resulted in 13 published papers, 15 invited talks and lectures nationally and internationally. My former graduate student and postdoc Dr. Michal Bajdich, who was supported byt this grant, is currently a postdoc with ORNL in the group of Dr. F. Reboredo and Dr. P. Kent and is using the developed tools in a number of DOE projects. The QWalk package has become a truly important research tool used by the electronic structure community and has attracted several new developers in other research groups. Our tools use several types of correlated wavefunction approaches, variational, diffusion and reptation methods, large-scale optimization methods for wavefunctions and enables to calculate energy differences such as cohesion, electronic gaps, but also densities and other properties, using multiple runs one can obtain equations of state for given structures and beyond. Our codes use efficient numerical and Monte Carlo strategies (high accuracy numerical orbitals, multi-reference wave functions, highly accurate correlation factors, pairing orbitals, force biased and correlated sampling Monte Carlo), are robustly parallelized and enable to run on tens of thousands cores very efficiently. Our demonstration applications were focused on the challenging research problems in several fields of materials science such as transition metal solids. We note that our study of FeO solid was the first QMC calculation of transition metal oxides at high pressures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Yearly report for the period Jan. 2018 – Feb. 2019 IC Project: w17_faultprediction “Critical Stress in Earth”

The consequence of earthquake is usually catastrophic. Currently, we cannot determine when a fault is approaching failure due to either anthropogenic activities or tectonic movement. In an anthropogenically perturbed setting, the rate of physical changes on faults far exceeds most natural processes with currently unpredictable and unmeasurable results. In a tectonic setting we generally do not know where a fault is in the earthquake cycle beyond noting how long has passed since the last rupture, which is itself sometimes unknown. The Laboratory has therefore funded a multi million multi-year LDRD-DR program that comprises experiments, numerical modeling, and machine learning in order to develop and test a highly novel approach to probe the earthquake cycle and in particular, to detect and locate stressed faults that are approaching failure. For this program, modeling of a series of sheared granular layers undergoing stick-slip behavior using the EES-17’s Combined Finite-Discrete Element Method (FDEM) based code HOSS (Hybrid Optimization Software Suite) plays a pivotal role since numerical simulations of granular fault gouge allow for analysis of the mechanical behavior of the system at a level of spatial and temporal resolution not accessible experimentally, and also offer the possibility of identifying the most important parameters governing earthquake dynamics. The simulated data also provide very detailed stress, strain and motion information for machine learning purpose to predict earthquake. The code – HOSS – has been developed in Geophysics Group in LANL during the past ten years and is used to simulate the stick-slip behavior of granular fault gouge. One of the key feature of HOSS is that it is superior to pure finite element method and discrete element method and can provide very detailed evolvement information of granular fault gouge. Additionally, its parallel computing capability makes large scale earthquake gouge simulation possible. Taking these facts into account, and also because few other fully parallel FDEM code exists, this IC project allows LANL to stay at the forefront of earthquake gouge and granular material simulation in the world.

42 ENGINEERING↗
DOE OSTI2016

Design of a Commercial Scale Accelerator Driven Subcritical Aqueous Assembly

SHINE Medical Technologies is working towards producing a reliable, domestic supply of medical isotopes, including molybdenum-99 (Mo-99), xenon-133, and iodine 131, without using highly enriched uranium. Approximately 88% of Mo-99 decays to technetium-99m, which is the most widely used medical isotope in the world, accounting for approximately 80% of all nuclear medicine procedures. A novel aqueous, subcritical nuclear assembly has been designed by SHINE Medical Technologies. The assembly can produce medical radioisotopes in significant quantities for U.S. and foreign needs. The assembly produces isotopes without using a reactor, instead using a fusion-based neutron source coupled to a fission-based aqueous assembly. The subcritical nature of the aqueous assembly has safety and licensing benefits, including the elimination of the reactor control system and elimination of high level waste. SHINE plans to construct eight subcritical assemblies with a plant capacity of greater than 3000 6-day Curies, which is more than one-quarter of the world's Mo-99 requirements. From a nuclear design standpoint, the aqueous subcritical assembly needs to be able to generate sufficient fission power to meet the production capacity requirements while remaining subcritical at all times with an acceptable margin. To address these conflicting design goals, a simple nuclear design and reactivity control philosophy has been developed that allows for high power operation with a high degree of safety. A fusion-driven subcritical fission assembly has been designed by SHINE Medical Technologies to provide a reliable, domestic supply of medical isotopes. Nuclear models have been created and show that the assembly can be started up, operated, and shutdown in a safe manner without active reactivity control systems. A unique reactivity control strategy allows SHINE to operate the aqueous subcritical assembly at much higher power levels than would otherwise be practical, while still retaining the benefits of subcritical operation and avoiding the need for complex subcritical measurement techniques. Based on the current design, the subcritical target is capable of generating significant fission power (on the order of 100 kW) when being driven by a simple, low-cost deuterium-tritium accelerator, enabling the SHINE facility to supply over one-fourth of the worldwide demand of Mo- 99. SHINE has recently been issued a construction permit by the U.S. Nuclear Regulatory Commission to build the commercial facility in Janesville, WI, with eight subcritical assemblies and the associated production equipment. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Installation and operation of GeoMelt{sup R} in container vitrification in NNL Central Lab active rig hall at Sellafield - 15328

Cleanup and subsequent immobilization of wastes on the UK's NDA estate brings major challenges. With the exception of HLW where vitrification is utilized for immobilization, cement is typically used in the management and immobilization of non-heat generating wastes. However some legacy feeds such as those containing reactive metals can be incompatible with cementation technologies, and the application of engineered cement encapsulating product to raw wastes increases wasteform volume. Cementation has also been developed to be compatible with the repository concept, which provides it with a level of protection from the environment. Potential delays in repository implementation and as yet to be determined repository waste form acceptance criteria for some wastes may require the duration of above ground storage of immobilized wastes to be extended with potential effect on the integrity of the wasteform. Vitrification is a treatment option which destroys organics and hazardous inorganics such as asbestos, reduces wasteform volume, and produces a robust leach resistant wasteform. Kurion's GeoMelt{sup R} In-container Vitrification (ICV){sup TM} is a vitrification process wherein the treatment vessel can serve as an interim-storage, transport, and final long-term storage vessel - thus negating the need to pour glass into a separate container, effectively leading to a much simpler system than traditional waste melters. The inherent volume reduction from vitrification results in a dense product with self-shielding properties, and the GeoMelt treatment process has been demonstrated to homogenize elemental metals and radionuclide contaminants of concern, eliminating hot spots and mitigating criticality concerns. All of which opens up alternatives strategies for storage and disposal. GeoMelt has been proven in the commercial and US DOE waste treatment environment with over 26,000 tonnes of hazardous waste treated to date (half of this radioactive). Kurion and the UK's National Nuclear Laboratory (NNL) plan to demonstrate its application to Sellafield radioactive wastes. A small (engineering) scale demonstrator is being installed in the active rig hall at NNL's Central Laboratory at Sellafield UK with a twofold mission; 1) demonstration of the vitrification of ILW/LLW, and 2) processing of smaller volume orphan wastes that currently have no treatment path. The NNL facility will allow the handling of uranium containing materials which form a substantial component of ILW currently stored on the Sellafield site. Accurate DFs across the melter and off gas system are often difficult to obtain using inactive materials at the low concentrations present in radioactive wastes. Installation in the NNL facility will allow trace quantities of active species such as Cs-137 and Tc-99 to be processed as part of a simulant ILW stream and monitoring will allow accurate decontamination factors (DFs) to be established to support future vitrification facility design. In addition to underpinning melter operation and obtaining DFs across the system, the facility will allow the processing of radioactive waste arisings of low activity which may either be typical of larger waste volumes or may present as orphans without a disposition route. In either case the melter facility will be able to vitrify these wastes into a form that will be suitable for interim storage and disposal. Among the feeds envisaged for processing will be asbestos from power stations, contaminated soils, feeds containing uranium metals, ponds solids, sludge, and miscellaneous active laboratory wastes. The NNL Central Lab capability will be used to analyze the active product to support disposal requirements whether through letters of compliance for the Geological Disposal Facility (GDF) or waste acceptance criteria for the Low Level Waste Repository (LLWR). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

Performance of "Moth Eye" Anti-Reflective Coatings for Solar Cell Applications

An inexpensive, effective anti-reflective coating (ARC) has been developed at the University of Florida to significantly enhance the absorption of light by silicon in solar cells. This coating has nano-scale features, and its microstructure mimics that of various night active insects (e.g. a moth's eye). It is a square array of pillars, each about 700 nm high and having a diameter of about 300 nm. Samples of silicon having this coating were exposed either to various combinations of either elevated temperature and humidity or to gamma irradiation ({sup 60}Co) at the Savannah River National Laboratory, or to a broad spectrum ultraviolet light and to a 532 nm laser light at the University of Florida. The anti-reflective properties of the coatings were unaffected by any of these environmental stresses, and the microstructure of the coating was also unaffected. In fact, the reflectivity of the gamma irradiated ARC became lower (advantageous for solar cell applications) at wavelengths between 400 and 1000 nm. These results show that this coating is robust and should be tested in actual systems exposed to either weather or a space environment. Structural details of the ARCs were studied to optimize their performance. Square arrays performed better than hexagonal arrays - the natural moth-eye coating is indeed a square array. The optimal depth of the templated nanopillars in the ARC was investigated. A wet etching technology for ARC formation was developed that would be less expensive and much faster than dry etching. Theoretical modeling revealed that dimple arrays should perform better than nipple arrays. A method of fabricating both dimple and nipple arrays having the same length was developed, and the dimple arrays performed better than the nipple arrays, in agreement with the modeling. The commercial viability of the technology is quite feasible, since the technology is scalable and inexpensive. This technology is also compatible with current industrial fabrication of solar cells.

14 SOLAR ENERGY↗
DOE OSTI2023

IceNet for FireBox - A Berkeley Warehouse-Scale Computer

Berkeley’s FireBox is a next-generation warehouse-scale computer (WSC) that utilizes the energy-efficiency and bandwidth density of integrated silicon-photonic interconnects to enable a new high-bandwidth and low-latency network fabric connecting thousands of compute nodes to petabytes of DRAM and Flash storage. The high bandwidth, low latency and high connectivity of FireBox’s WSC network fabric (IceNet) will enable dramatic improvements in the overall system energy efficiency enabling fine-grain power control on system resources (processors, links and memory/storage components). IceNet is a special 3-stage photonic Clos network architected to achieve ultra-low-latency connectivity between processor nodes and memory, drastically cutting down on the energy wasted in resource idling (processors and memory stalled due to pending network requests). This is achieved by integration of the first and last switch stages into processor/memory hub clients and by heavy over-provisioning of the high-radix middle switches (FlareSwitches). A key hardware component developed in this program is an active laser power management photonic integrated circuits called LightSpark. It interacts with the FlareSwitch and provides laser power to a subset of occupied switch ports, increasing the utilization of laser light in the photonic network by an order of magnitude. In addition to guiding the laser power where it is needed, the laser-power management module enables both wavelength and laser redundancy, significantly increasing the robustness of the system. The goal of the IceNet fabric is to enable communication between 1000s of processor nodes and PBs of memory/storage with <100ns latency, <10pJ/b wall-plug energy cost at multiple Pb/s of available connectivity bandwidth. These metrics represent two-orders of magnitude improvement with respect to the status of current data-center technology.

42 ENGINEERING↗
DOE OSTI2013

Argonne National Laboratory Annual Report of Laboratory Directed Research and Development Program Activities FY 2012

Our plans to upgrade the Advanced Photon Source are proceeding on schedule, and we hope to receive CD-2 approval sometime in spring 2013. When complete, the APS Upgrade will equip this vital facility for continued scientific leadership in the 21st century, providing the 5,000-plus members of our user community with greatly increased time, energy and spatial resolution. We also have successfully installed “Mira,” the new IBM Blue Gene/Q system at the Argonne Leadership Computing Facility. The world’s fourth-fastest supercomputer, Mira is now providing leading-edge computational power across all scientific disciplines. I am also pleased to report that Argonne’s new Energy Sciences Building is proceeding on schedule; we expect it to be finished and ready for occupancy by June 30, 2013. When complete, the ESB will be one of the most modern and most flexible energy labs in the world, creating a new home for researchers focused on a wide range of energy science challenges. Research is under way at the new multidisciplinary Institute for Molecular Engineering (IME), a joint program of the University of Chicago and Argonne. Over the past year, four new faculty members, including IME’s director, – all pre-eminent researchers who hold joint appointments at Argonne – have joined the IME. We look forward to working in collaboration with the IME to find new ways to address the interfaces between molecular-level science and powerful new technologies. In FY 2012, we continued support for the final year of the “Beyond Lithium-Ion” Director’s Grand Challenge LDRD project. That project enabled significant work on the performance of lithium-based energy storage systems, pointing the way to new high-energy-density lithium-air batteries. I believe this Grand Challenge contributed significantly to our successful bid to win designation of the Argonne-based Joint Center for Energy Storage Research (JCESR) as the DOE’s new Batteries and Energy Storage Hub. JCESR, which brings together a world-class “dream team” of national laboratories, universities and private sector partners, strongly benefited from LDRD program investments, both in FY2012 and in previous years. As we move forward in FY2013, the Director’s Grand Challenge is now focused on new ways to address the challenges of “big data” – the acquisition, storage, transfer, and analysis of both experimental and simulated data at scales approaching the limits of our current computational capacities. In managing Argonne’s LDRD program, we have adhered to the requirements of DOE Order 413.2b and associated guidelines. Our program management continually strives for increased efficiency. In addition to meeting all reporting requirements during FY 2012, our LDRD Program Office continues to implement intranet-based process enhancements to better serve all LDRD stakeholders, including our DOE Site Office colleagues. As the following individual project reports demonstrate, Argonne’s researchers are pursuing projects at the leading edge of science and engineering, and making significant contributions to the advancement of our laboratory’s major strategic initiatives. Evidence of the continuing strength of this program is found in the follow-on sponsorship won by many of these research projects, as well as in the numbers of publications, invited presentations, inventions, and new staff hires that are direct results of LDRD. LDRD enables exploration of new scientific directions and makes it possible to adapt quickly to a changing landscape with unexpected opportunities, while enhancing the capabilities of our researchers and our scientific facilities. For these reasons, LDRD remains an invaluable resource to address the future science and technology needs of DOE, and of our nation.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2013

Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities

Nuclear fission results in the production of fission products and activation products, some of which tend to be volatile during used fuel reprocessing. These can evolve in volatile species in the reprocessing facility off-gas streams, depending on the separations and reprocessing technologies that are used. Radionuclides that have been identified as “volatile radionuclides” are noble gases (most notably isotopes of Kr and Xe); 3H; 14C; and 129I. Radionuclides that tend to form volatile species that evolve into reprocessing facility off-gas systems are more challenging to efficiently control compared to radionuclides that tend to stay in solid or liquid phases. Future used fuel reprocessing facilities in the United States can require efficient capture of some volatile radionuclides in their off-gas streams to meet regulatory emission requirements. In aqueous reprocessing, these radionuclides are most commonly expected to evolve into off-gas streams in tritiated water [3H2O (T2O) and 3HHO (THO)], radioactive CO2, noble gases, and gaseous HI, I2, or volatile organic iodides. The fate and speciation of these radionuclides from a non-aqueous fuel reprocessing facility is less well known at this time, but active investigations are in progress. An Off-Gas Sigma Team was formed in late FY 2009 to integrate and coordinate the Fuel Cycle Research and Development (FCR&D) activities directed towards the capture and sequestration of the these volatile radionuclides (Jubin 2012a). The Sigma Team concept was envisioned to bring together multidisciplinary teams from across the DOE complex that would work collaboratively to solve the technical challenges and to develop the scientific basis for the capture and immobilization technologies such that the sum of the efforts was greater than the individual parts. The Laboratories currently participating in this effort are Argonne National Laboratory (ANL), Idaho National Laboratory (INL), Oak Ridge National Laboratory (ORNL), Pacific Northwest National Laboratory (PNNL), and Sandia National Laboratories (SNL). This article focuses on control of volatile radionuclides that evolve during aqueous reprocessing of UNF. In particular, most of the work by the Off-gas Sigma Team has focused on the capture and sequestration of 129I and 85Kr, mainly because, as discussed below, control of 129I can require high efficiencies to meet regulatory requirements, and control of 85Kr using cryogenic processing, which has been the technology demonstrated and used commercially to date, can add considerable cost to a reprocessing facility.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2010

Modeling Coupled Processes in Clay Formations for Radioactive Waste Disposal

As a result of the termination of the Yucca Mountain Project, the United States Department of Energy (DOE) has started to explore various alternative avenues for the disposition of used nuclear fuel and nuclear waste. The overall scope of the investigation includes temporary storage, transportation issues, permanent disposal, various nuclear fuel types, processing alternatives, and resulting waste streams. Although geologic disposal is not the only alternative, it is still the leading candidate for permanent disposal. The realm of geologic disposal also offers a range of geologic environments that may be considered, among those clay shale formations. Figure 1-1 presents the distribution of clay/shale formations within the USA. Clay rock/shale has been considered as potential host rock for geological disposal of high-level nuclear waste throughout the world, because of its low permeability, low diffusion coefficient, high retention capacity for radionuclides, and capability to self-seal fractures induced by tunnel excavation. For example, Callovo-Oxfordian argillites at the Bure site, France (Fouche et al., 2004), Toarcian argillites at the Tournemire site, France (Patriarche et al., 2004), Opalinus clay at the Mont Terri site, Switzerland (Meier et al., 2000), and Boom clay at Mol site, Belgium (Barnichon et al., 2005) have all been under intensive scientific investigations (at both field and laboratory scales) for understanding a variety of rock properties and their relations with flow and transport processes associated with geological disposal of nuclear waste. Clay/shale formations may be generally classified as indurated and plastic clays (Tsang et al., 2005). The latter (including Boom clay) is a softer material without high cohesion; its deformation is dominantly plastic. For both clay rocks, coupled thermal, hydrological, mechanical and chemical (THMC) processes are expected to have a significant impact on the long-term safety of a clay repository. For example, the excavation-damaged zone (EDZ) near repository tunnels can modify local permeability (resulting from induced fractures), potentially leading to less confinement capability (Tsang et al., 2005). Because of clay's swelling and shrinkage behavior (depending on whether the clay is in imbibition or drainage processes), fracture properties in the EDZ are quite dynamic and evolve over time as hydromechanical conditions change. To understand and model the coupled processes and their impact on repository performance is critical for the defensible performance assessment of a clay repository. Within the Natural Barrier System (NBS) group of the Used Fuel Disposition (UFD) Campaign at DOE's Office of Nuclear Energy, LBNL's research activities have focused on understanding and modeling such coupled processes. LBNL provided a report in this April on literature survey of studies on coupled processes in clay repositories and identification of technical issues and knowledge gaps (Tsang et al., 2010). This report will document other LBNL research activities within the natural system work package, including the development of constitutive relationships for elastic deformation of clay rock (Section 2), a THM modeling study (Section 3) and a THC modeling study (Section 4). The purpose of the THM and THC modeling studies is to demonstrate the current modeling capabilities in dealing with coupled processes in a potential clay repository. In Section 5, we discuss potential future R&D work based on the identified knowledge gaps. The linkage between these activities and related FEPs is presented in Section 6.

54 ENVIRONMENTAL SCIENCES↗