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Mud Volcanoes - Analogs to Martian Cones and Domes (by the Thousands!)

Mud volcanoes are mounds formed by low temperature slurries of gas, liquid, sediments and rock that erupt to the surface from depths of meters to kilometers. They are common on Earth, with estimates of thousands onshore and tens of thousands offshore. Mud volcanoes occur in basins with rapidly-deposited accumulations of fine-grained sediments. Such settings are ideal for concentration and preservation of organic materials, and mud volcanoes typically occur in sedimentary basins that are rich in organic biosignatures. Domes and cones, cited as possible mud volcanoes by previous authors, are common on the northern plains of Mars. Our analysis of selected regions in southern Acidalia Planitia has revealed over 18,000 such features, and we estimate that more than 40,000 occur across the area. These domes and cones strongly resemble terrestrial mud volcanoes in size, shape, morphology, associated flow structures and geologic setting. Geologic and mineralogic arguments rule out alternative formation mechanisms involving lava, ice and impacts. We are studying terrestrial mud volcanoes from onshore and submarine locations. The largest concentration of onshore features is in Azerbaijan, near the western edge of the Caspian Sea. These features are typically hundreds of meters to several kilometers in diameter, and tens to hundreds of meters in height. Satellite images show spatial densities of 20 to 40 eruptive centers per 1000 square km. Many of the features remain active, and fresh mud flows as long as several kilometers are common. A large field of submarine mud volcanoes is located in the Gulf of Cadiz, off the Atlantic coasts of Morocco and Spain. High-resolution sonar bathymetry reveals numerous km-scale mud volcanoes, hundreds of meters in height. Seismic profiles demonstrate that the mud erupts from depths of several hundred meters. These submarine mud volcanoes are the closest morphologic analogs yet found to the features in Acidalia Planitia. We are also conducting laboratory analyses of surface samples collected from mud volcanoes in Azerbaijan, Taiwan and Japan. X-ray diffraction, visible / near infrared reflectance spectroscopy and Raman spectroscopy show that the samples are dominated by mixed-layer smectite clays, along with quartz, calcite and pyrite. Thin section analysis by optical and scanning electron microscopy confirms the mineral identifications. These samples also contain chemical and morphological biosignatures, including common microfossils, with evidence of partial replacement by pyrite. The bulk samples contain approximately 1 wt% total organic carbon and 0.4 mg / gm volatile hydrocarbons. The thousands of features in Acidalia Planitia cited as analogous to terrestrial mud volcanoes clearly represent an important element in the sedimentary record of Mars. Their location, in the distal depocenter for massive Hesperian-age floods, suggests that they contain fine-grained sediments from a large catchment area in the martian highlands. We have proposed these features as a new class of exploration target that can provide access to minimally-altered material from significant depth. By analogy to terrestrial mud volcanoes, these features may also be excellent sites for the sampling martian organics and subsurface microbial life, if such exist or ever existed.

Allen, Carlton C.↗

DEMONSTRATION OF LONG-TERM STORAGE CAPABILITY FOR SPENT NUCLEAR FUEL IN L BASIN

The U.S. Department of Energy decisions for the ultimate disposition of its inventory of used nuclear fuel presently in, and to be received and stored in, the L Basin at the Savannah River Site, and schedule for project execution have not been established. A logical decision timeframe for the DOE is following the review of the overall options for fuel management and disposition by the Blue Ribbon Commission on America's Nuclear Future (BRC). The focus of the BRC review is commercial fuel; however, the BRC has included the DOE fuel inventory in their review. Even though the final report by the BRC to the U.S. Department of Energy is expected in January 2012, no timetable has been established for decisions by the U.S. Department of Energy on alternatives selection. Furthermore, with the imminent lay-up and potential closure of H-canyon, no ready path for fuel disposition would be available, and new technologies and/or facilities would need to be established. The fuel inventory in wet storage in the 3.375 million gallon L Basin is primarily aluminum-clad, aluminum-based fuel of the Materials Test Reactor equivalent design. An inventory of non-aluminum-clad fuel of various designs is also stored in L Basin. Safe storage of fuel in wet storage mandates several high-level 'safety functions' that would be provided by the Structures, Systems, and Components (SSCs) of the storage system. A large inventory of aluminum-clad, aluminum-based spent nuclear fuel, and other nonaluminum fuel owned by the U.S. Department of Energy is in wet storage in L Basin at the Savannah River Site. An evaluation of the present condition of the fuel, and the Structures, Systems, or Components (SSCs) necessary for its wet storage, and the present programs and storage practices for fuel management have been performed. Activities necessary to validate the technical bases for, and verify the condition of the fuel and the SSCs under long-term wet storage have also been identified. The overall conclusion is that the fuel can be stored in L Basin, meeting general safety functions for fuel storage, for an additional 50 years and possibly beyond contingent upon continuation of existing fuel management activities and several augmented program activities. It is concluded that the technical bases and well-founded technologies have been established to store spent nuclear fuel in the L Basin. Methodologies to evaluate the fuel condition and characteristics, and systems to prepare fuel, isolate damaged fuel, and maintain water quality storage conditions have been established. Basin structural analyses have been performed against present NPH criteria. The aluminum fuel storage experience to date, supported by the understanding of the effects of environmental variables on materials performance, demonstrates that storage systems that minimize degradation and provide full retrievability of the fuel up to and greater than 50 additional years will require maintaining the present management programs, and with the recommended augmented/additional activities in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Techno-economic life cycle assessment of CO 2 -EOR operations towards net negative emissions at farnsworth field unit

Optimizations of CO 2 Water Alternating Gas(WAG)- systems with multi-objectives of incremental recovery and maximization of CO 2 storage are challenging. Here, the incorporation of a total Greenhouse gas (GHG) life cycle assessment is mostly ignored leading to inaccurate estimation of overall net carbon emissions of their operations. In this study, the effect of a total GHG life cycle assessment on a multi-objective CO 2 -WAG optimization with integrated techno-economic assessment (TEA) which factors carbon tax credit is conducted. A life cycle assessment (LCA) was conducted utilizing a 20 -year optimized post history matched data from a high fidelity reservoir simulation model. Using data generated from the optimum result, a techno-economic life cycle analysis was further conducted. The first scenario classified as the base model had an estimated 81% of purchased CO 2 sequestered. The results through a comprehensive techno-economic LCA model yielded a net estimate of 73% of purchased CO 2 . The optimized forecasted model which considered key operational and reservoir factors such as WAG ratio, injection rates and periods, and well specification resulted in an improved sequestration of 92% of purchased CO 2 . However, this also dropped to 84% after taking it through LCA. These results clearly indicate a significant amount of net CO 2 is not accounted for when operations are not analyzed through LCA. From the LCA, direct flaring volumes of CO 2 , energy consumption and efficiency of unit equipment were noticed to be the major causes of these reductions. Considering ten main sources of energy as source of energy generation, a comparative techno-eco LCA was conducted. The results confirmed a lower net volume and NPV for energy sources with higher carbon footprints and vice versa. Thus, a total LCA of CO 2 -WAG greatly influences net storage factor of purchased CO 2 and hence project NPV where tax credit/incentives per ton of CO 2 sequestered is considered. Although operational conditions are optimized for best results, there are significant factors that leads to minimization of net storage factor. This study therefore provides an insightful information for optimizing CO 2 -WAG multi-objectives to achieve minimum GHG emission.

02 PETROLEUM↗

Wildfire Segmentation From Remotely Sensed Data Using Quantum-Compatible Conditional Vector Quantized-Variational Autoencoders

Wildfires represent a critical environmental hazard with multifaceted implications for ecosystems, communities, and public health [1]. The escalating frequency and intensity of wildfires globally have intensified the urgency for robust segmentation methodologies to facilitate effective mitigation, response, and recovery strategies [2]. Accurate wildfire segmentation is pivotal for delineating fire boundaries, assessing progression patterns, and prioritizing resource allocation during emergency scenarios. Furthermore, precise segmentation enables stakeholders, including policymakers, environmental scientists, and emergency responders, to formulate evidence-based strategies, thereby minimizing socio-economic disruptions and ecological degradation. Consequently, advancing wildfire segmentation techniques through innovative technological interventions remains a paramount research imperative. Although foundational in wildfire segmentation, traditional deterministic models exhibit inherent limitations that compromise their efficacy in dynamic and uncertain environments. These models often operate on rigid algorithms prioritizing deterministic classifications, thereby overlooking the inherent complexities and uncertainties associated with wildfire behavior and satellite data variability. Such deterministic frameworks tend to produce oversimplified representations that fail to capture the intricate nuances of evolving fire dynamics, spatial heterogeneity, and environmental interactions [1]. Consequently, the deterministic approach’s propensity for uncertainty collapsing [1, 3] hampers the accuracy, reliability, and applicability of segmentation outcomes in real-world scenarios. Contrastingly, stochastic models offer a more nuanced and adaptable framework for wildfire segmentation. By integrating probabilistic elements into the modeling paradigm, stochastic approaches, particularly probabilistic approaches such as variational auto encoders (VAEs) [4], facilitate comprehensive uncertainty assessment, enabling researchers to quantify and incorporate uncertainties into segmentation outcomes effectively. This probabilistic nature empowers stochastic models to encapsulate variability, account for data inconsistencies, and adapt to evolving environmental conditions, enhancing segmentation accuracy, reliability, and robustness. Embracing stochastic methodologies thus catalyzes advancements in wildfire science by fostering a more holistic, adaptive, and resilient segmentation framework. Despite VAEs demonstrating significant promise in various applications, they come with inherent limitations that have garnered attention within the machine learning community. One of the primary drawbacks lies in their reliance on static priors, which essentially assume a fixed distribution for latent variables, thereby limiting the model’s flexibility to capture complex data structures effectively [5]. This static nature leads to suboptimal representations, especially when dealing with complex and high-dimensional data. Additionally, VAEs often struggle with generating sharp and realistic samples, a phenomenon commonly referred to as mode collapse [5, 7, 6]. Furthermore, the optimization process in VAEs, which involves balancing the reconstruction loss and the regularization term, can sometimes be challenging to fine-tune [7]. In recent efforts to address these shortcomings, alternative approaches like Vector Quantized Variational Auto encoders(VQ-VAEs) [7], address the challenges by incorporating discrete latent variables and leveraging techniques that enhance the quality and diversity of generated samples while maintaining efficient training dynamics. VQ-VAEs propose a dynamic prior distribution generation mechanism that diverges from the static priors commonly associated with traditional VAEs. This dynamic approach allows for more adaptive and context-aware latent variable representations, thereby potentially capturing complex data structures more effectively. Unlike autoregressive prior models such as PixelCNN, which, despite their ability to model dependencies across data dimensions, suffer from significant computational inefficiencies and lack flexibility in handling diverse datasets. In our work, we propose to use a generative quantum-compatible approach to help alleviate the shortcomings of autoregressive prior model in VQ-VAEs. Restricted Boltzmann Machines (RBMs) are a viable alternative prior model that can learn prior distributions in a faster and more flexible manner. In this research endeavor, we meticulously curate a state-of-the-art dataset leveraging satellite MODIS data in conjunction with VIIRS fire masks, derived from Fire Radiative Power (FRP), thereby encapsulating diverse wildfire scenarios and environmental contexts. We developed a conditional VQ-VAE architecture with the RBM prior model that is trained in a supervised manner for segmenting wildfire masks. This innovative approach synergistically harnesses deep learning capabilities, enabling the generation of segmentation maps characterized by heightened precision, granularity, and contextual relevance. Furthermore, replacing the autoregressive prior learning method proposed by the original VQ-VAE with a prior density approximation via quantum-compatible RBM facilitates expedited inference processes, augments flexibility in prior sampling, optimizes computational efficiency and establishes a groundbreaking benchmark in wildfire segmentation methodologies.

quantum machine learning↗

Radioactive Spent Ion-Exchange Resins Conditioning by the Hot Supercompaction Process at Tihange NPP - Early Experience - 12200

Spent ion-exchange resins are considered to be problematic waste that, in many cases, requires special approaches and precautions during their conditioning to meet the acceptance criteria for disposal. In Belgium, for economical reasons, the Volume Reduction Factor is a key criterion. After Tractebel Engineering performed a technical and economical comparison of the industrially available systems, Tihange NPP decided to install a spent ion-exchange resins hot supercompaction unit with Tractebel Engineering in the role of architect-engineer. The treatment and conditioning unit processes the spent ion-exchange resins through the following steps: dewatering of the resins, drying the resins under deep vacuum, discharging the dried resins into compactable drums, super-compacting the drums to generate pellets, grouting the pellets into standard 400 litres waste drums (overpacks) licensed for final disposal in the near-surface repository in Belgium. Several developments were required to adapt the reference process and equipment to PWR spent ion-exchange bead resins and Belgian radioactive waste acceptance criteria. In order to avoid cracks on the compacted drum, and external surface contamination from resin leaks, some improvements were achieved to minimize spring-back as well as the risk of cracking the drum wall. Placing the compactable drum inside a second, slightly larger drum, guarantees clean and reproducible pellets. Currently the commissioning phase is on-going. Numerous process validation tests have been completed. An acceptance file was transmitted to the Belgian Waste Management Authority recently. This will be followed by demonstration tests necessary to obtain their final acceptance of the installation. More than 3 800 drums of mixed powdered and bead resins have been processed by the reference Hot Compaction process, achieving a Volume Reduction Factor (VRF) of 2.5. The equipment has been proven to be a reliable technology with low operation and maintenance costs. Tractebel Engineering has managed the construction of a new application of this process in Belgium at Tihange NPP. Several developments were required to adapt the reference process and equipment to PWR spent ion-exchange bead resins and Belgian radioactive waste acceptance criteria. The chosen method of conditioning (draining, drying and compaction of the spent resins followed by grouting of the pellets in a 400 litres drum) immobilizes the spent resins under the form of a solid, compact, stable, and non dispersible block free of interstitial water. The various series of inactive tests which were conducted at Tihange NPP, helped among others to determine the best design of the compactable drum and lid and to set the value of critical parameters such as vapour temperature at the end of drying, speed, force and duration of compaction. In an environment of very limited space for interim storage and in the absence of an operational final repository site, or in the case of high final disposal costs, the process exhibits the following key advantages: - Achieving a Volume Reduction Factor (VRF) close to 1 (overpack included) for the interim storage instead of increased volumes observed with other currently available processes; - Achieving a water free end product; - Creating a flexible waste product for interim storage (pellet), which can be retrieved and routed into alternative types of package later, if not initially grouted; - Using well proven standard technologies like drying and compaction; - Flexible use of the system components for the supercompaction of other operational solid waste streams when not conducting resins conditioning campaigns. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Voltage Optimization

Voltage optimization refers to a volt-var optimization technique which was originally designed to minimize energy consumption and improve end-use efficiency on the distribution system. This reduces source voltage at a substation, which lowers generation demand, reduces system losses, and improves system stability. This has been the conventional implementation of voltage optimization: focusing on regulation of voltages throughout the distribution system via coordinated adjustments of load tap changers, line-voltage regulators, switched shunt compensation, and the targeted placement of new shunt compensation. These methods have received increased focus following a growth in distributed-energy resources (DERs) interconnecting at the distribution level, given their developing capability to participate in voltage regulation. This is paired with the intermittency challenges they pose, load imbalances, and voltage fluctuations. Voltage optimization has long been an area of extensive research within the distribution system, with various strategies and philosophies demonstrating a range of effects. The conventional focus on the distribution system owes to the typical operation of transmission systems, which assumes firm local resources and flows strictly from generation resources to loads. The strategies employed in distribution have also been optimized for this typically radial configuration and operation of the distribution system.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

HLW Return from France to Germany - 15 Years of Experience in Public Acceptance and Technical Aspects - 12149

Since in 1984 the national reprocessing concept was abandoned the reprocessing abroad was the only existing disposal route until 1994. With the amendment of the Atomic Energy Act in 2001 spent fuel management changed completely since from 1 June 2005 any delivery of spent fuel to reprocessing plants was prohibited and the direct disposal of spent fuel became mandatory. Until 2005 the total amount of spent fuel to be reprocessed abroad added up to 6080 t HM, 5309 t HM thereof in France. The waste generated from reprocessing - alternatively an equivalent amount of radioactive material - has to be returned to the country of origin according to the commercial contracts signed between the German utilities and COGEMA, now AREVA NC, in France and BNFL, now INS in UK. In addition the German and the French government exchanged notes with the obligation of both sides to enable and support the return of reprocessing residues or equivalents to Germany. The return of high active vitrified waste from La Hague to the interim storage facility at Gorleben was demanding from the technical view i. e. the cask design and the transport. Unfortunately the Gorleben area served as a target for nuclear opponents from the first transport in 1996 to the latest one in 2011. The protection against sabotage of the railway lines and mass protests needed highly improved security measures. In France and Germany special working forces and projects have been set up to cope with this extraordinary situation. A complex transport organization was established to involve all parties in line with the German and French requirements during transport. The last transport of vitrified residues from France has been completed successfully so far thus confirming the efficiency of the applied measures. Over 15 years there was and still is worldwide no comparable situation it is still unique. Summing up, the exceptional project handling challenge that resulted from the continuous anti-nuclear civil disobedience in Germany over the whole 15-year long project running time could be faced efficiently. It has to be concluded that despite of all problems the anti-nuclear activities have caused so far, all transports of vitrified HLW have always been completed successfully by adapting the commonly established safety, security and public acceptance measures to the special conditions and needs in Germany and coordinating the activities of all parties involved but at the expense of high costs for industry and government and a challenging operational complexity. Apart from an anticipatory project planning a good communication between all involved industrial parties and the French and the German government was the key to the effective management of such shipments and to minimize the radiological, economic, environmental, public and political impact. The future will show how efficiently the gained experience can be used for further return projects which are to be realized since no reprocessed waste has yet been returned from UK and neither the medium-level nor the low-level radioactive waste has been transferred from France to Germany. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Feasibility Studies on a Hexagonal-Lattice Core for a World-Class Cold Neutron Source

Cold neutrons have kinetic energies less than 5 meV and wavelengths greater than 4 Α. They can be transported over tens of meters through super-reflecting neutron guides with minimal losses. Cold neutrons are used to investigate the structure of larger molecular systems such as biological materials, polymers and aggregates, due to their preferential interaction with light elements and general ignorance towards heavy ones. Intense beams of cold neutrons are obtained from slowing down a source of thermal energy neutrons - which may be from either a research reactor or spallation neutron source - through some cryogenic moderator such as liquid hydrogen or deuterium. The present reactor at the NIST Center for Neutron Research (NCNR) - NBSR - is such a cold neutron source (CNS) facility which provides cold neutron beams for over 2,000 scientists performing various experiments annually. Feasibility studies on a replacement reactor for the NBSR are underway at NCNR with the primary purpose of optimized cold neutron production. Low enriched uranium (LEU) fuel is required for the new reactor to conform to nuclear non-proliferation agreements. The low thermal power rate of 20 MW is taken as a priority with a fuel cycle length designated as 30 days. A horizontal split compact core with a large D{sub 2}O reflector tank is currently proposed and studied, with the expectation of achieving much better cold neutron performance than the present NIST reactor (NBSR). A preliminary core design has been completed using MCNP6 modeling and simulation. The physics performance characteristics of the proposed new core indicate that the new design is competitive with the most notable existing advanced cold neutron sources. In previous studies, only rectangular shaped fuel elements were considered because they have similar external dimensions as the NBSR fuel elements. However, from a compact core standpoint, a square lattice is not the most effective geometry for a tight configuration. Moreover, the previous studies also showed that the square lattice of the fuel elements left little room to accommodate vertical insertion blade-type control elements. As a result, all control blades had to reside in the D{sub 2}O reflector, which made the design cumbersome (in that case the control blades must penetrate the reflector tank) and neutronically uneconomical. In this summary, a preliminary feasibility study on a hexagonal core lattice is performed to render an alternative geometry for the new reactor (HEX core) to provide sufficient space for the control elements. The identical LEU fuel (U{sub 3}Si{sub 2}/Al) with U-235 enrichment 19.75% is used in the new design. The maximum thermal power and fuel management scheme remain the same as the previous investigations (three 30-day cycled batches for each batch of three fuel elements). The horizontal split compact core concept is also applied in the hexagonal lattice core design, with the objective of creating maximum thermal flux traps between the split core halves. A detailed description of the model for the hexagonal lattice core is presented in the following section. The HEX core design achieves a number of successes over the previous split-core design. Given that much of the motivation of this work was based on implementation of control blades into a concept which lacked them, it is notable that neutron economy was well-preserved in the process of achieving conservatively effective reactivity control; start-up k{sub eff} was in fact increased by 0.23% and peak thermal flux increased by ∼25%. A useful metric in determining the efficacy of resources towards creating an environment for the production of cold neutrons - dubbed the 'quality factor' (QF) - is the ratio of peak thermal neutron flux in a system to the total thermal power produced. Because HEX core's objectives are very focused in comparison to existing research reactors, it is fitting to pursue a design which out-performs all others in terms of some specific performance metric, namely this QF term. While HFIR remains the greatest cold neutron source in the world, it does so through use of HEU fuel (which will be replaced with LEU in the near future), and suffers a greater level of fast neutron contamination that is expected from the HEX design. The new core design achieves these successes due to the hexagonal lattice fuel arrangement, a 13.5% reduction in cladding mass, and a 13.1% reduction in fuel element volume. In spite of a 5.5% reduction in fuel mass, no compromises in reactor performance were noted. Provided the favorable characteristics shown of the control blade design, refueling intervals longer than the prescribed 30 days may be considered. It can be speculated that with these quantitative benefits, the overall capital and continuous costs of the HEX core design will be less than the previously proposed split-core concept.

07 ISOTOPE AND RADIATION SOURCES↗

Development of Integrated Die Casting Process for Large Thin-Wall Magnesium Applications

The purpose of this project was to develop a process and product which would utilize magnesium die casting and result in energy savings when compared to the baseline steel product. The specific product chosen was a side door inner panel for a mid-size car. The scope of the project included: re-design of major structural parts of the door, design and build of the tooling required to make the parts, making of parts, assembly of doors, and testing (both physical and simulation) of doors. Additional work was done on alloy development, vacuum die casting, and overcasting, all in order to improve the performance of the doors and reduce cost. The project achieved the following objectives: 1. Demonstrated ability to design a large thin-wall magnesium die casting. 2. Demonstrated ability to manufacture a large thin-wall magnesium die casting in AM60 alloy. 3. Tested via simulations and/or physical tests the mechanical behavior and corrosion behavior of magnesium die castings and/or lightweight experimental automotive side doors which incorporate a large, thin-wall, powder coated, magnesium die casting. Under some load cases, the results revealed cracking of the casting, which can be addressed with re-design and better material models for CAE analysis. No corrosion of the magnesium panel was observed. 4. Using life cycle analysis models, compared the energy consumption and global warming potential of the lightweight door with those of a conventional steel door, both during manufacture and in service. Compared to a steel door, the lightweight door requires more energy to manufacture but less energy during operation (i.e., fuel consumption when driving vehicle). Similarly, compared to a steel door, the lightweight door has higher global warming potential (GWP) during manufacture, but lower GWP during operation. 5. Compared the conventional magnesium die casting process with the “super-vacuum” die casting process. Results achieved with cast tensile bars suggest some improvement in tensile properties with vacuum casting. Plant trials with large castings revealed cavity fill issues attributed to cooling and partial solidification of metal in the shot sleeve while waiting for vacuum to be established in the die cavity. 6. Developed age-hardenable Mg-based alloys as potential alternatives to the AM60 and AZ91 alloys typically used in automotive applications. Mg-7%Al-based alloys having Sn or Sn+Si additions exhibited significant age hardening, but more work is needed to demonstrate significant improvement in tensile properties. Corrosion behavior of these alloys is between those of AM60 and AZ91 alloys. 7. Evaluated the die casting of magnesium directly onto either steel or aluminum tubes as a potential process to make large lightweight subassemblies. Samples were free of gross defects, but additional work is needed to increase the interfacial shear strength. Overall, the project demonstrated that an automotive door-in-white design incorporating a die cast magnesium inner panel and a stamped aluminum outer panel can achieve approximately 50% mass reduction compared to the stamped steel baseline door-in-white. This leads to reduced energy consumption when driving the vehicle, which should more than offset the increased embedded energy of manufacture associated with the lighter metals. However, additional design work would be needed in order to meet the mechanical performance required of a door. Development of high-strength, high-ductility magnesium alloy castings would help make this technology more attractive for potential use in the side doors on automobiles. Also, increased use of recycled magnesium and aluminum would reduce the embedded energy and greenhouse gas emissions associated with the manufacture of this type of lightweight door. Commercialization planning of the type of lightweight door technology addressed in this project would be contingent upon the doors meeting all technical performance requirements of the car maker. The specific lightweight door developed in this project didn’t meet some of those requirements, but a preliminary business case study was conducted anyhow. This study considered the ratio of cost increase to mass decrease when the lightweight door is compared to a baseline steel door. The ratio was found to be in an acceptable range for some vehicle programs, especially if the number of such vehicles to be produced is equal to or slightly less than the estimated 250,000-shot life of the die set. This would allow for the investment in the dies to be spread across many parts and thereby help minimize the cost increase.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Constraining gravity with a new precision 𝐸 𝐺 estimator using Planck + SDSS BOSS data

The 𝐸 𝐺 statistic is a discriminating probe of gravity developed to test the prediction of general relativity (GR) for the relation between gravitational potential and clustering on the largest scales in the observable Universe. We present a novel high-precision estimator for the 𝐸 𝐺 statistic using CMB lensing and galaxy clustering correlations that carefully matches the effective redshifts across the different measurement components to minimize corrections. A suite of detailed tests is performed to characterize the estimator’s accuracy, its sensitivity to assumptions and analysis choices, and the non-Gaussianity of the estimator’s uncertainty is characterized. After finalization of the estimator, it is applied to Planck CMB lensing and SDSS CMASS and LOWZ galaxy data. We report the first harmonic space measurement of 𝐸 𝐺 using the LOWZ sample and CMB lensing and also updated constraints using the final CMASS sample and the latest Planck CMB lensing map. We find $\hat{𝐸}$$^{Planck+CMASS}_{𝐺}$ = 0.3⁢6$^{+0.06}_{−0.05}$⁢(68.27%) and $\hat{𝐸}$$^{Planck+LOWZ}_{𝐺}$ = 0.4⁢0$^{+0.11}_{−0.09}$⁢(68.27%), with additional subdominant systematic error budget estimates of 2% and 3%, respectively. Using Ω m,0 constraints from Planck and SDSS BAO observations, Λ⁢CDM-GR predicts 𝐸$^{GR}_ {𝐺}$⁡(𝑧 =0.555) = 0.401 ± 0.005 and 𝐸$^{GR}_{𝐺}$⁡(𝑧 =0.316) = 0.452 ± 0.005 at the effective redshifts of the CMASS and LOWZ based measurements. We report the measurement to be in good statistical agreement with the Λ⁢CDM-GR prediction and report that the measurement is also consistent with the more general GR prediction of scale independence for 𝐸 𝐺 . Furthermore, this work provides a carefully constructed and calibrated statistic with which 𝐸 𝐺 measurements can be confidently and accurately obtained with upcoming survey data.

79 ASTRONOMY AND ASTROPHYSICS↗

Compressed Natural Gas Vehicle Maintenance Facility Modification Handbook

To ensure the safety of personnel and facilities, vehicle maintenance facilities are required by law and by guidelines of the National Fire Protection Association (NFPA) and the International Fire Code (IFC) to exhibit certain design features. They are also required to be fitted with certain fire protection equipment and devices because of the potential for fire or explosion in the event of fuel leakage or spills. All fuels have an explosion or fire potential if specific conditions are present. The hazard presented by liquid fuels, such as gasoline and diesel, results from the spillage of these liquids and subsequent ignition of vapors, causing a fire or explosion. Facilities that maintain liquid-fueled vehicles and implement appropriate safety measures are protected with ventilation systems designed to capture liquid fuel vapors at or near floor level. To minimize the potential for ignition in the event of a spill, receptacles, electrical fixtures, and hot-work operations, such as welding, are located outside of these areas. Compressed natural gas (CNG) is composed of methane with slight amounts of heavier simple hydrocarbons. Maintenance facilities that maintain CNG vehicles indoors must be protected against fire and explosion. However, the means of ensuring safety are different from those employed for liquid fuels because of the gaseous nature of methane and the fact that it is lighter than air. Because CNG is lighter than air, a release will rise to the ceiling of the maintenance facility and quickly dissipate rather than remaining at or near floor level like liquid fuel vapors. Although some of the means of protection for CNG vehicle maintenance facilities are similar to those used for liquid-fueled vehicles (ventilation and elimination of ignition sources), the types and placement of the protection equipment are different because of the behavior of the different fuels. The nature of gaseous methane may also require additional safeguards, such as combustible gas detectors and control systems, or specialized space heating, which are not needed in facilities servicing liquid-fuel vehicles. This handbook covers maintenance facilities that service CNG-fueled vehicles. Although similar requirements are mandated for liquefied natural gas (LNG) or liquefied petroleum gas (LPG) fueled vehicles, LNG and LPG are not covered in this handbook.

30 DIRECT ENERGY CONVERSION↗

Secondary waste form testing : ceramicrete phosphate bonded ceramics.

The cleanup activities of the Hanford tank wastes require stabilization and solidification of the secondary waste streams generated from the processing of the tank wastes. The treatment of these tank wastes to produce glass waste forms will generate secondary wastes, including routine solid wastes and liquid process effluents. Liquid wastes may include process condensates and scrubber/off-gas treatment liquids from the thermal waste treatment. The current baseline for solidification of the secondary wastes is a cement-based waste form. However, alternative secondary waste forms are being considered. In this regard, Ceramicrete technology, developed at Argonne National Laboratory, is being explored as an option to solidify and stabilize the secondary wastes. The Ceramicrete process has been demonstrated on four secondary waste formulations: baseline, cluster 1, cluster 2, and mixed waste streams. Based on the recipes provided by Pacific Northwest National Laboratory, the four waste simulants were prepared in-house. Waste forms were fabricated with three filler materials: Class C fly ash, CaSiO{sub 3}, and Class C fly ash + slag. Optimum waste loadings were as high as 20 wt.% for the fly ash and CaSiO{sub 3}, and 15 wt.% for fly ash + slag filler. Waste forms for physical characterizations were fabricated with no additives, hazardous contaminants, and radionuclide surrogates. Physical property characterizations (density, compressive strength, and 90-day water immersion test) showed that the waste forms were stable and durable. Compressive strengths were >2,500 psi, and the strengths remained high after the 90-day water immersion test. Fly ash and CaSiO{sub 3} filler waste forms appeared to be superior to the waste forms with fly ash + slag as a filler. Waste form weight loss was {approx}5-14 wt.% over the 90-day immersion test. The majority of the weight loss occurred during the initial phase of the immersion test, indicative of washing off of residual unreacted binder components from the waste form surface. Waste forms for ANS 16.1 leach testing contained appropriate amounts of rhenium and iodine as radionuclide surrogates, along with the additives silver-loaded zeolite and tin chloride. The leachability index for Re was found to range from 7.9 to 9.0 for all the samples evaluated. Iodine was below detection limit (5 ppb) for all the leachate samples. Further, leaching of sodium was low, as indicated by the leachability index ranging from 7.6-10.4, indicative of chemical binding of the various chemical species. Target leachability indices for Re, I, and Na were 9, 11, and 6, respectively. Degradation was observed in some of the samples post 90-day ANS 16.1 tests. Toxicity characteristic leaching procedure (TCLP) results showed that all the hazardous contaminants were contained in the waste, and the hazardous metal concentrations were below the Universal Treatment Standard limits. Preliminary scale-up (2-gal waste forms) was conducted to demonstrate the scalability of the Ceramicrete process. Use of minimal amounts of boric acid as a set retarder was used to control the working time for the slurry. Flexibility in treating waste streams with wide ranging compositional make-ups and ease of process scale-up are attractive attributes of Ceramicrete technology.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Integrating a Microwave Radiometer into Radar Hardware for Simultaneous Data Collection Between the Instruments

The conventional method for integrating a radiometer into radar hardware is to share the RF front end between the instruments, and to have separate IF receivers that take data at separate times. Alternatively, the radar and radiometer could share the antenna through the use of a diplexer, but have completely independent receivers. This novel method shares the radar's RF electronics and digital receiver with the radiometer, while allowing for simultaneous operation of the radar and radiometer. Radars and radiometers, while often having near-identical RF receivers, generally have substantially different IF and baseband receivers. Operation of the two instruments simultaneously is difficult, since airborne radars will pulse at a rate of hundreds of microseconds. Radiometer integration time is typically 10s or 100s of milliseconds. The bandwidth of radar may be 1 to 25 MHz, while a radiometer will have an RF bandwidth of up to a GHz. As such, the conventional method of integrating radar and radiometer hardware is to share the highfrequency RF receiver, but to have separate IF subsystems and digitizers. To avoid corruption of the radiometer data, the radar is turned off during the radiometer dwell time. This method utilizes a modern radar digital receiver to allow simultaneous operation of a radiometer and radar with a shared RF front end and digital receiver. The radiometer signal is coupled out after the first down-conversion stage. From there, the radar transmit frequencies are heavily filtered, and the bands outside the transmit filter are amplified and passed to a detector diode. This diode produces a DC output proportional to the input power. For a conventional radiometer, this level would be digitized. By taking this DC output and mixing it with a system oscillator at 10 MHz, the signal can instead be digitized by a second channel on the radar digital receiver (which typically do not accept DC inputs), and can be down-converted to a DC level again digitally. This unintuitive step allows the digital receiver to sample both the radiometer and radar data at a rapid, synchronized data rate (greater than 1 MHz bandwidth). Once both signals are sampled by the same digital receiver, high-speed quality control can be performed on the radiometer data to allow it to take data simultaneously with the radar. The radiometer data can be blanked during radar transmit, or when the radar return is of a power level high enough to corrupt the radiometer data. Additionally, the receiver protection switches in the RF front end can double as radiometer calibration sources, the short (four-microsecond level) switching periods integrated over many seconds to estimate the radiometer offset. The major benefit of this innovation is that there is minimal impact on the radar performance due to the integration of the radiometer, and the radiometer performance is similarly minimally affected by the radar. As the radar and radiometer are able to operate simultaneously, there is no extended period of integration time loss for the radiometer (maximizing sensitivity), and the radar is able to maintain its full number of pulses (increasing sensitivity and decreasing measurement uncertainty).

McLinden, Matthew↗

Carbonate Management to Enable Energy- and Carbon-Efficient CO 2 Electrolysis (Final Technical Report)

The rapid growth and plummeting cost of solar energy have spurred growing interest in using CO 2 electrolysis to produce chemicals and fuels as an alternative to conventional petrochemical processes. High-temperature (>800 °C) solid oxide electrolyzers that convert CO 2 into CO and O 2 have recently become commercially available. Low-temperature electrolysis cells offer the prospect of more convenient and flexible operation, which is critical for utilizing intermittent solar energy, and provide access to more valuable C 2+ products such as ethylene, ethanol, and propanol. Over the past 10 years, research in this area has yielded substantial progress in both fundamental understanding of the requisite electrocatalytic reactions and design of prototype devices. Leveraging insights from fuel cells and membrane water electrolyzers, researchers have developed electrolysis cells with gas diffusion electrodes (GDE) that have demonstrated high CO 2 electrolysis current densities (>100 mA cm –2 ) as well as promising selectivity and stability. Despite these advances, the energy efficiency (electrical energy-to-product) and carbon efficiency (CO 2 -to-product) of low-temperature CO 2 electrolysis remain far too low for large-scale deployment. A preponderance of evidence indicates that the principal source of efficiency losses is the rapid and thermodynamically favorable reaction of CO 2 with hydroxide (OH – ) to form carbonate (CO 3 2– ). Carbonate formation imposes steady-state electrolysis conditions that result in large voltage and CO 2 losses for all known (photo)electrochemical CO 2 cells. While much current research remains focused on CO 2 reduction catalyst design, this largely overlooked CO 3 2– problem presents a fundamental scientific barrier to creating a viable electrochemical option for converting solar energy into chemicals and fuels. The project pursues an integrated, multi-PI research effort that establishes a fundamental science of CO 3 2– management. PI Kanan and Co-PI Mani’s contribution to the project is to evaluate strategies to mitigate the CO 3 2– problem by changing the properties of the electrolyte and the environment in which CO 2 reduction catalysis takes place. Experimental studies showed that electrolytes composed of a high concentration of both CO 3 2– and HCO 3 – , which serve as moderately alkaline buffers, improved the cell voltage by compared to all-HCO 3 – electrolytes, but these buffered systems still show substantial CO 2 uptake that reduces pH over time. Computational studies developed a homogenized model of a CO 2 reduction catalyst layer that permits a low-cost exploration of the high-dimensional parameter space associated with catalyst layers on gas diffusion electrodes. The model was validated by accurately reproducing experimental data for the related but simpler reaction of CO reduction and then used to probe the effects of catalyst layer architecture on CO 2 reduction. Minimizing the size of catalyst and hydrophobic domains in the catalyst layer is predicted to mitigate CO 3 2– formation and thereby enable prolonged operation at elevated pH. In support of the CO 2 electrolysis studies, a new method for rapidly prototyping electrochemical cells was developed and validated. The method uses a combination of 3D printing and electroless plating to generate conductive cell components for evaluating new cell designs. The carbonate problem encompasses mass transport processes and acid-base reactions that are relevant to many other electrochemical systems. Investigation of strategies to address the carbonate problem led to an additional line of inquiry into the physicochemical phenomena that determine the efficiency of electrochemical acid-base production, which has numerous applications in the broader field of carbon management. New strategies for using the supporting electrolyte to inhibit H + /OH – recombination in electrochemical acid-base production were evaluated, leading to the development of a novel acid-base producing system that eliminates the need for ion exchange membranes and exhibits promising efficiency and current densities for scalable applications.

25 ENERGY STORAGE↗

The potential role of a carbon tax in U.S. fiscal reform

This paper examines fiscal reform options in the United States with an intertemporal computable general equilibrium model of the world economy called G-Cubed. Six policy scenarios explore two overarching issues: (1) the effects of a carbon tax under alternative assumptions about the use of the resulting revenue, and (2) the effects of alternative measures that could be used to reduce the budget deficit. We examine a simple excise tax on the carbon content of fossil fuels in the U.S. energy sector starting immediately at $15 per metric ton of carbon dioxide (CO2) and rising at 4 percent above inflation each year through 2050. We investigate policies that allow the revenue from the illustrative carbon tax to reduce the long run federal budget deficit or the marginal tax rates on labor and capital income. We also compare the carbon tax to other means of reducing the deficit by the same amount. We find that the carbon tax will raise considerable revenue: $80 billion at the outset, rising to $170 billion in 2030 and $310 billion by 2050. It also significantly reduces U.S. CO2 emissions by an amount that is largely independent of the use of the revenue. By 2050, annual CO2 emissions fall by 2.5 billion metric tons (BMT), or 34 percent, relative to baseline, and cumulative emissions fall by 40 BMT through 2050. The use of the revenue affects both broad economic impacts and the composition of GDP across consumption, investment and net exports. In most scenarios, the carbon tax lowers GDP slightly, reduces investment and exports, and increases imports. The effect on consumption varies across policies and can be positive if households receive the revenue as a lump sum transfer. Using the revenue for a capital tax cut, however, is significantly different than the other policies. In that case, investment booms, employment rises, consumption declines slightly, imports increase, and overall GDP rises significantly relative to baseline through about 2040. Thus, a tax reform that uses a carbon tax to reduce capital taxes would achieve two goals: reducing CO2 emissions significantly and expanding short-run employment and the economy. We examine three ways to reduce the deficit by an equal amount. We find that raising marginal tax rates on labor income has advantages over raising tax rates on capital income or establishing a carbon tax. A labor tax increase leaves GDP close to its baseline, reduces consumption very slightly and expands net exports slightly. Investment remains essentially unchanged. In contrast, a capital tax increase causes a significant and persistent drop in investment and much larger reductions in GDP. A carbon tax falls between the two: it lowers GDP more than a labor tax increase because it reduces investment. However, its effects on investment and GDP are more moderate than the capital tax increase, and it also significantly reduces CO2 emissions. A carbon tax thus offers a way to help reduce the deficit and improve the environment, and do so with minimal disturbance to overall economic activity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Annual Site Environmental Report: 2010 (ASER)

This report provides information about environmental programs during the calendar year of 2010 at the SLAC National Accelerator Laboratory (SLAC), Menlo Park, California. Activities that overlap the calendar year - i.e., stormwater monitoring covering the winter season of 2010/2011 (October 2010 through May 2011) are also included. SLAC is a federally-funded research and development center with Stanford University as the M&O contractor. Under Executive Order (EO) 13423, Strengthening Federal Environmental, Energy, and Transportation Management, EO 13514, Federal Leadership in Environmental, Energy, and Economic Performance, and DOE Order 450.1A, Environmental Protection Program, SLAC effectively implements and integrates the key elements of an Environmental Management System (EMS) to achieve the site's integrated safety and environmental management system goals. For normal daily activities, SLAC managers and supervisors are responsible for ensuring that policies and procedures are understood and followed so that: (1) Worker safety and health are protected; (2) The environment is protected; and (3) Compliance is ensured. Throughout 2010, SLAC continued to improve its management systems. These systems provided a structured framework for SLAC to implement 'greening of the government' initiatives such as EO 13423, EO 13514, and DOE Orders 450.1A and 430.2B. Overall, management systems at SLAC are effective, supporting compliance with all relevant statutory and regulatory requirements. During 2010, there were no reportable releases to the environment from SLAC operations. In addition, many improvements in waste minimization, recycling, stormwater management, groundwater restoration, and SLAC's chemical management system (CMS) were continued. The following are among SLAC's environmental accomplishments for 2010. To facilitate management and identification of future potential greenhouse gases (GHG) reduction opportunities, SLAC voluntarily completed GHG inventories for calendar year (CY) 2008 and CY 2009 and submitted the results to The Climate Registry. A Lead Management Plan was completed to reduce the potential of lead impacting the environment, and two large legacy tube-trailer modules, each containing 38 tubes of compressed ethane, were reused or recycled by an outside contractor, resulting in hazardous waste avoidance and cost savings of approximately $100,000 in transportation and disposal costs. SLAC continues to make progress on achieving the sustainability goals of EOs 13423 and 13514, which include, but are not limited to reductions in the use of water, energy, and fuel, building to green standards and reductions in GHG emissions. Phase I of the SLAC Advanced Metering project for electrical and natural gas systems was completed. Phase I included the design of the metering system and purchase of the enterprise software. The planning, design, and installation of an advanced water metering system for select buildings, landscape, and process systems were completed. In addition, the last major onsite chiller containing a Class I ozone-depleting substance was taken out of service, and SLAC continued to replace conventional vehicles with electric vehicles. In 2010, there were no radiological impacts to the public or the environment from SLAC operations. The potential doses to the public were negligible and far below the regulatory and SLAC administrative limits. No radiological incidents occurred that increased radiation levels to the public or released radioactivity to the environment. In addition to managing its radioactive wastes safely and responsibly, SLAC worked to reduce the amount of waste generated. SLAC shipped 2,891 cubic feet of low-level radioactive waste, half of which was legacy waste, to appropriate treatment and disposal facilities for low-level radioactive waste. SLAC also continued its efforts to reduce the inventory of materials no longer needed for its mission by permanently removing 125 sealed radioactive sources from the inventory. Ninety-seven of the sealed sources were returned to the manufacturer, and 28 were sent to Energy Solutions for processing before being sent to the Nevada Test Site for burial. In addition, 87 concrete blocks which had been stored in an area known as the Bone Yard were surveyed for potential surface contamination and volumetric activation prior to off-site release. Based on the comprehensive measurements, all 87 blocks were qualified for release and were disposed of as ordinary materials at a landfill. In 2010, the SLAC Environmental Restoration Program personnel continued work on site characterization and evaluation of remedial alternatives at four sites with volatile organic compounds in groundwater and several areas with polychlorinated biphenyls and low concentrations of lead in soil.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Pursuit of K: Reflections on the Current State-of-the-Art in Stress Intensity Factor Solutions for Practical Aerospace Applications

The elastic stress intensity factor (SIF, commonly denoted as K) is the foundation of practical fracture mechanics (FM) analysis for aircraft structures. This single parameter describes the first-order effects of stress magnitude and distribution as well as the geometry of both structure/component and crack. Hence, the calculation of K is often the most significant step in fatigue analysis based on FM. This presentation will provide several reflections on the current state-of-the-art in SIF solution methods used for practical aerospace applications, including a brief historical perspective, descriptions of some recent and ongoing advances, and comments on some remaining challenges. Newman and Raju made significant early contributions to practical structural analysis by developing closed-form SIF equations for surface and corner cracks in simplified geometries, often based on empirical fits of finite element (FE) solutions. Those solutions (and others like them) were sometimes revised as new analyses were conducted or limitations discovered. The foundational solutions have exhibited striking longevity, despite the relatively "coarse" FE models employed many decades ago. However, in recent years, the accumulation of different generations of solutions for the same nominal geometry has led to some confusion (which solution is correct?), and steady increases in computational capabilities have facilitated the discovery of inaccuracies in some (not all!) of the legacy solutions. Some examples of problems and solutions are presented and discussed, including the challenge of maintaining consistency with legacy design applications. As computational power has increased, the prospect of calculating large numbers of SIF solutions for specific complex geometries with advanced numerical methods has grown more attractive. Fawaz and Andersson, for example, have been generating literally millions of new SIF solutions for different combinations of multiple cracks under simplified loading schemes using p-version FE methods. These data are invaluable, but questions remain about their practical use, because the tabular databases of key results needed to support practical life analysis can occupy gigabytes of storage for only a few classes of geometries. The prospect of using such advanced numerical methods to calculate in real time only those K solutions actually needed to support a specific crack growth analysis is also tempting, but the stark reality is that the computational cost is still so high that the approach is not practical except for specific, critical application problems. Some thoughts are offered about alternative paradigms. Compounding approaches are some of the earliest building blocks of SIF development for more complex geometries. These approaches are especially attractive because of their very low computational cost and their conceptual robustness; they are, in some ways, an intriguing contrast and complement to the brute-force numerical methods. In recent years, researchers at NRC-Canada have published remarkable results showing how compounding approaches can be used to generate accurate solutions for very difficult problems. Examples are provided of some successes--and some limitations--using this approach. These closed-form, tabulated numerical, and compounding approaches have typically been used for simple remote loading with simple load paths to the crack. However, many significant cracks occur in complex stress gradient fields. This is a job for weight function (WF) methods, where the arbitrary stress distribution on the crack plane in the corresponding uncracked body (typically determined using FE methods) is used to determine K. Several significant recent advances in WF methods and solutions are highlighted here. Fueled by advanced 3D numerical methods, many new solutions have been generated for classic geometries such as surface and corner cracks with wide ranges of geometrical validity. A new WF formulation has also be developed for part-through cracks considering the arbitrary stress gradients in all directions in the crack plane (so-called bivariant solutions). Basic WF methods have recently been combined with analytical expressions for crack plane stresses to develop a large family of accurate SIF solutions for corner, surface, and through cracks at internal or external notches with very wide ranges of shapes, sizes, acuities, and offsets. Finally, WF solutions are much faster than FE or boundary element solutions, but can still be much slower than simple closed-form solutions, especially for bivariant solutions that can require 2D numerical integration. Novel pre-integration and dynamic tabular methods have been developed that substantially increase the speed of these advanced WF solutions. The practical utility of advanced SIF methods, including both WF and direct numerical methods, is greatly enhanced if the FM life analysis can be directly and efficiently linked with digital models of the actual structure or component (e.g., FE models for stress analysis). Two recent advances of this type will be described. One approach directly interfaces the FM life analysis with the FE model of the uncracked component (including stress results). Through a powerful graphical user interface, simplified FM life models can be constructed (and visualized) directly on the component model, with the computer collecting the geometry and stress gradient information needed for the life calculation. An even more powerful paradigm uses expert logic to automatically build an optimum simple fracture model at any and every desired location in the component model, perform the life calculation, and even generate fatigue crack growth life contour maps, all with minimal user intervention. This paradigm has also been extended to the automatic calculation of fracture risk, considering uncertainty or variability in key input parameters such as initial crack size or location. Another new integrated approach links the engineering life analysis, the component model, and a 3D numerical fracture analysis built with the same component model to generate a table of SIF values at a specific location that can then be employed efficiently to perform the life calculation. Some attention must be given to verification and validation (V&V) issues and challenges: how good are these SIF solutions, how good is good enough, and does anyone believe the life answer? It is important to think critically about the different sources of error or uncertainty and to perform V&V in a hierarchal, building-block manner. Some accuracy issues for SIF solutions, for example, may actually involve independent material behavior issues, such as constraint loss effects for crack fronts near component surfaces, and can be a source of confusion. Recommendations are proposed for improved V&V approaches. This presentation will briefly but critically survey the range of issues and advances mentioned above, with a particular view towards assembling an integrated approach that combines different methods to create practical tools for real-world design and analysis problems. Examples will be selectively drawn from the recent literature, from recent enhancements in the NASGRO and DARWIN computer codes, and from previously unpublished research

CraigMcClung, R.↗

In-Situ Reaction Monitoring for Lunar Applications Utilizing a Single Quadrupole Residual Gas Analyzer

With a revived focus to create a permeant presence on the moon and in preparation for future Mars exploration, it is imperative that all re-sources are utilized to their fullest potential. In-Situ Resource Utilization (ISRU) will be critical for future mission success as it would enable independent operation of missions while minimally relying on the complex supply chain created between the Earth, moon and Mars. One of the most critical resources that have been identified for ISRU is the creation of liquid oxygen (O2) for not only breathable air, but also for rocket fuel. On the moon and potentially Mars, one of the most O2 rich resources is in the presence of regolith. Although there are numerous minerals within regolith and various processes to extract O2, this is not the scope of this paper. Since the O2 extraction method can vary, a critical standardized analytical method is needed to verify O2 (or oxygenated precursor compounds) for extraction efficiency and purity. Our group utilizes a modified consumer off-the-shelf (COTS), Residual Gas Analyzer (RGA) Single Quadrupole Mass Spectrometer (QMS). Due to the current field mission requirements, the gas analysis module will need to rely only on mass-to-charge ratios (m/z) and peak intensities to differentiate and quantitate targeted gas-phase reactants or products, i.e. carbon monoxide (CO), carbon dioxide (CO2), methane (CH4) and hydrogen (H2). However, due to solar wind implanted volatiles and various other compounds present in lunar regolith, such as nitrogen (N2), helium (He), and deuterium (D2), deconvolution and quantification of isobaric compounds becomes quite difficult. Specifically, the presence of N2 makes quantification of CO, an oxygenated precursor, difficult due to both compounds having a peak at m/z 28. Approaches to differentiate isobaric components: Initially, the solution to overcome isobaric overlap was to use isotopic ratios, particularly be-tween carbon-13 and nitrogen-15. Although limited literature discuss isotopic composition and attempt to quantify the ratios, variation is particularly high and limited to a few lunar regolith samples. The following were identified as potential approaches to quantify isobaric species, N2 and CO, using our RGA. Threshold Ionization. CO and N2 both have peaks at m/z 28, but only N2 is capable of producing a peak at m/z 7. While a N2 peak at m/z 7 is generally rare, instrument parameters can be optimized in order to maximize the peak intensity. Typically a standard ionization energy of 70 eV is used to monitor a batch process and would produce reliable results for a majority of the reactants or products that we are interested in quantifying. However, to analyze the rare molecular fragment of N2 (N2+ at m/z 7), a different ionization energy may be beneficial. Threshold Ionization Mass Spectrometry (TIMS) will be explored to optimize the N2+ peak at m/z 7 by varying parameters such as ionization energy and pressure. Therefore, a quantitative value at m/z 7 will be used to determine the product gas concentration of N2, which will be subtracted from the total concentration determined at m/z 28 enabling us to approximate the amount of CO. Secondary Detector (infrared gas detector, IR). Another approach to quantitate and differentiate be-tween isobaric components is to leverage alternative modes of detection. Unlike mass spectrometry, which generally uses a separation step prior to analysis (i.e. gas chromatography), IR produces energy that is specifically absorbed depending on the bond and configuration of the molecule. This technique could be leveraged since it is generally only active on non-symmetric molecules, i.e. CO. Utilizing concentrations of CO determined from another detector could help correct concentrations of CO obtained from the QMS. However, the inclusion of another detector adds additional mission requirements, such as power, software changes and avionics updates that add additional cost and schedule requirements.

mass spectrometry↗