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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Oxidative coupling of methane (OCM) conversion into C 2 products through a CO 2 /O 2 co-transport membrane reactor

Oxidative coupling of methane (OCM), which transforms CH 4 into C 2 products (C 2 H 6 and C 2 H 4 ) with molecular O 2 as the oxidant, is one of the most studied direct methane conversions (DMCs). However, a major technical hurdle to the OCM process is to achieve high CH 4 conversion at high C 2 (C 2 H 6 and C 2 H 4 ) selectivity. One rudimentary cause for this “tradeoff” behavior is the high chemical reactivity of the products (C 2 H 6 or C 2 H 4 ), which can be re-oxidized by O 2 . To overcome this thermodynamic challenge, minimizing the oxidizing power of the oxidant and lowering the local oxygen partial pressure are keys. Here, In this work, we demonstrate a new membrane reactor that capture CO 2 /O 2 from a flue gas and uses it for OCM conversion. The results show that the co-captured CO 2 /O 2 mixture converts CH 4 into C 2 H 6 in the presence of a 2%Mn–5%Na 2 WO 4 /SiO 2 catalyst, followed by thermal cracking of C 2 H 6 into C 2 H 4 and H 2 . The presence of CO 2 decreases the local partial pressure of O 2 , thus reducing the propensity of C 2 -products re-oxidation and leading to a higher C 2 selectivity. We show that a small button-type membrane reactor can achieve 12% C 2 yield with ~57% C 2 -selectivity using a diluted CH 4 -Ar mixture as the feedstock. We expect higher C 2 yield with tubular plug-flow membrane reactors in the future. We also highlight the unique advantage of the membrane reactor in intensifying CO 2 capture from both flue gas and OCM purification process into one single step.

42 ENGINEERING↗
DOE OSTI2018

Integrated pre-feasibility study for CO 2 geological storage in the Cascadia Basin, offshore Washington State, British Columbia

The Cascadia CarbonSAFE project conducted a pre-feasibility study to evaluate technical and nontechnical aspects of storing 50 million metric tons (MMT) of carbon dioxide in a safe, ocean basalt reservoir offshore Washington State and British Columbia. Sub-seafloor basalts are very common on Earth and enable geological mineralization as a long-term storage mechanism, permanently sequestering the carbon in solid rock form. This project evaluated the offshore storage complex, developed potential industrial source/transport scenarios, built an inventory of existing geophysical/geological data and environmental monitoring capabilities, conducted laboratory studies and reservoir modeling to determine storage capacity, and analyzed economic factors, regulatory requirements, and project management risks. Our team included researchers at Columbia University in New York, Pacific Northwest National Laboratory (PNNL) in Washington, University of Victoria in British Columbia, University of California at Santa Cruz, and GHG Underground in Maine, as well as collaborators at University of Iceland in Reykjavik and University of Washington in Saint Louis. In the study region, large emitters (>100,000 MT/year) generate a total of approximately 40 MMT annually from stationary sources, such as power plants, refineries, ammonia production, and mineral processing plants. Five potential industry source/transport scenarios were identified (three in U.SA S. and two in Canada) to potentially provide 50 MMT of carbon dioxide to the offshore reservoir. One scenario included net carbon-negative sources that would reduce atmospheric levels. The inventory of existing data illustrated that basalt properties in the region are potentially beneficial for long-term storage. Permeability is on the order of 0.1 to 1 Darcies within the uppermost 600 m of ocean crust and density-derived porosity reaches 10–20% in thin layers that provide act as flow channels and provide access to porous and permeable basalt. Fine-grained sediments overlying basalt provide a low-permeability barrier separating the storage reservoir from the overlying ocean. Subsurface monitoring of the storage complex benefits from a unique opportunity close proximity of to the nearby NEPTUNE cabled seafloor observatory, which actively transmits data to shore and could be used to monitor reservoir properties. Injection pressure changes, reservoir chemistry, seismicity, well head corrosion, and potential leakage monitoring would be feasible in real time. Using existing data and published models, the STOMP-CO 2 modeling code developed at PNNL was used to simulate carbon dioxide injection, storage, and mineralization in the reservoir. Preliminary simulations indicate that a 50 MMT carbon dioxide plume injected over a 20-year period remains well within the reservoir area, both laterally and vertically, for at least a 50-year period of post-injection monitoring. Laboratory studies on core samples from Cascadia measured dissolution rates in CO 2 –basalt–seawater mixtures and indicated large variability in rates with the potential for complete mineralization. Compared to published data, the dissolution rate measured in these samples is faster, decreasing the time until full conversion to carbonate minerals would occur. Adding geochemical reactivity in the STOMP-CO 2 model indicates that carbon dioxide would be fully converted to carbonate minerals in 135 years or less after injection ceases. The project assessed the viability and costs for the five scenarios using either dedicated offshore pipelines or shipping vessels. Carbon dioxide capture costs were not considered. Shipping incurred lower upfront CAPEX costs, and because most viable sources were located near the shore and waterways, shipping is preferred; no dedicated carbon dioxide pipelines exist in the region. The project also considered potential risks from mixed-use impacts on surrounding lands and ocean areas, such as active use by commercial and recreational fisherman, and other community considerations in planning for public engagement in the future. Other project risks were identified, including project management, permitting and compliance, and financing, as well as technical issues such as long-term instrumentation, plume migration, and model development. Geological concerns like reservoir permeability, seal, and induced seismicity held relatively low risk. The regulatory framework for offshore storage in the U.S. and Canada may be covered by general legal/regulatory programs, but is not yet fully defined. Existing programs appear to restrict the transportation of carbon dioxide across national boundaries (e.g., Canada to U.S.) and its sub-seabed disposal in some circumstances. Our assessment suggests that developing specific and separate pilot projects will help to advance the technical feasibility and regulatory requirements in each country, and lessons learned from such activities may be transferable elsewhere around the globe.

42 ENGINEERING↗
NASA NTRSDate not supplied

Hazards of Lunar Surface Exploration: Determining the Immunogenicity/Allergenicity of Lunar Dust

Although infrequent, there have been Apollo program reports of lunar dust (LD) exposure leading to notable upper respiratory symptoms in select crewmembers. Possible mechanisms include particulate irritation, oxidization and release of noxious gas, or legitimate adaptive immune-mediated response. Although sterile non-protein matter would not be expected to be an allergen, one Apollo flight surgeon reported increasing symptoms upon repeated exposure with associated eosinophilia, indicative of allergy (*Acta Astronautica. 2008 63 (7–10): 980–987). Many ISS crews display a pattern of persistent immune system dysregulation and latent virus reactivation (NPJ Microgravity. 2015 Sep 3; 1:15013; NPJ Microgravity. 2017 Apr 12; 3:11). Some ISS crews manifest atypical respiratory and/or dermatitis symptoms which could have an allergic pathogenesis (J Allergy Clin. Immunol. Pract. 2016 Jul-Aug; 4(4):759-762.e8). It is logical to anticipate crew immune dysregulation would worsen during prolonged deep space missions. Planetary surface hazards will only complicate crew health risks. This study with investigate if LD exposure will elicit an IgE mediated allergic response either to the LD itself or concomitant antigen exposure during spaceflight. Allergic reactivity could adversely increase clinical and operational impacts for long-duration lunar astronauts and affect countermeasure requirements for surface vehicles. Specific aims for this study are to answer two questions: (1) Does in vitro LD exposure result in increased histamine from human peripheral blood basophils? (2) Can LD impact the capacity of CD4+ T helper and/or CD19+ B-cell mediated IgE production? To address these questions, after the proposal and selection by NASA, our laboratory has separately requested and been approved for receipt of actual LD samples from the Apollo 16 mission. These samples will be used during the study to complete the proposed set of in vitro cell culture experiments (short and long term), using human peripheral blood mononuclear cells (PBMC) and basophils from both atopic and non-atopic individuals. Cells will be co-cultured with cellular mitogens, common recall antigens (Der p1), fine ground silica quartz (as a possible allergenic component of LD), or LD, to study whether LD exposure for varying time intervals will alter the generation of selective immune responses associated with clinical allergic reactions. Measured outputs include supernatant-derived IgE, tryptase, histamine, and selected cytokine levels. Cellular activation will be monitored by assessing activation markers via flow cytometry. EM/x-ray analysis will be used to determine cellular interactions with dust particles. A series of validation experiments was initiated in FY22 once the delivery of LD was received. Based on initial experimental findings, we are optimizing the culture conditions, LD concentrations, and refining our other protocol stimuli.

Audrie A. Colorado↗
NASA NTRSDate not supplied

Hazards of Lunar Surface Exploration: Determining the Immunogenicity/Allergenicity of Lunar Dust

Although infrequent, there have been Apollo program reports of lunar dust (LD) exposure leading to notable upper respiratory symptoms in select crewmembers. Possible mechanisms include particulate irritation, oxidization and release of noxious gas, or legitimate adaptive immune-mediated response. Although sterile non-protein matter would not be expected to be an allergen, one Apollo flight surgeon reported increasing symptoms upon repeated exposure with associated eosinophilia, indicative of allergy (*Acta Astronautica. 2008 63 (7–10): 980–987). Many ISS crews display a pattern of persistent immune system dysregulation and latent virus reactivation (NPJ Microgravity. 2015 Sep 3; 1:15013; NPJ Microgravity. 2017 Apr 12; 3:11). Some ISS crews manifest atypical respiratory and/or dermatitis symptoms which could have an allergic pathogenesis (J Allergy Clin. Immunol. Pract. 2016 Jul-Aug; 4(4):759-762.e8). It is logical to anticipate crew immune dysregulation would worsen during prolonged deep space missions. Planetary surface hazards will only complicate crew health risks. This study with investigate if LD exposure will elicit an IgE mediated allergic response either to the LD itself or concomitant antigen exposure during spaceflight. Allergic reactivity could adversely increase clinical and operational impacts for long-duration lunar astronauts and affect countermeasure requirements for surface vehicles. Specific aims for this study are to answer two questions: (1) Does in vitro LD exposure result in increased histamine from human peripheral blood basophils? (2) Can LD impact the capacity of CD4+ T helper and/or CD19+ B-cell mediated IgE production? To address these questions, after the proposal and selection by NASA, our laboratory has separately requested and been approved for receipt of actual LD samples from the Apollo 16 mission. These samples will be used during the study to complete the proposed set of in vitro cell culture experiments (short and long term), using human peripheral blood mononuclear cells (PBMC) and basophils from both atopic and non-atopic individuals. Cells will be co-cultured with cellular mitogens, common recall antigens (Der p1), fine ground silica quartz (as a possible allergenic component of LD), or LD, to study whether LD exposure for varying time intervals will alter the generation of selective immune responses associated with clinical allergic reactions. Measured outputs include supernatant-derived IgE, tryptase, histamine, and selected cytokine levels. Cellular activation will be monitored by assessing activation markers via flow cytometry. EM/x-ray analysis will be used to determine cellular interactions with dust particles. A series of validation experiments was initiated in FY22 once the delivery of LD was received. Based on initial experimental findings, we are optimizing the culture conditions, LD concentrations, and refining our other protocol stimuli.

immunology↗
DOE OSTI2016

Microexplosions and ignition dynamics in engineered aluminum/polymer fuel particles

Aluminum particles are widely used as a metal fuel in solid propellants. However, poor combustion efficiencies and two-phase flow losses result due in part to particle agglomeration. Engineered composite particles of aluminum (Al) with inclusions of polytetrafluoroethylene (PTFE) or low-density polyethylene (LDPE) have been shown to improve ignition and yield smaller agglomerates in solid propellants, recently. Reductions in agglomeration were attributed to internal pressurization and fragmentation (microexplosions) of the composite particles at the propellant surface. We explore the mechanisms responsible for microexplosions in order to better understand the combustion characteristics of composite fuel particles. Single composite particles of Al/PTFE and Al/LDPE with diameters between 100 and 1200 µm are ignited on a substrate to mimic a burning propellant surface in a controlled environment using a CO 2 laser in the irradiance range of 78–7700 W/cm 2 . Furthermore, the effects of particle size, milling time, and inclusion content on the resulting ignition delay, product particle size distributions, and microexplosion tendencies are reported. For example particles with higher PTFE content (30 wt%) had laser flux ignition thresholds as low as 77 W/cm 2 , exhibiting more burning particle dispersion due to microexplosions compared to the other materials considered. Composite Al/LDPE particles exhibit relatively high ignition thresholds compared to Al/PTFE particles, and microexplosions were observed only with laser fluxes above 5500 W/cm 2 due to low LDPE reactivity with Al resulting in negligible particle self-heating. However, results show that microexplosions can occur for Al containing both low and high reactivity inclusions (LDPE and PTFE, respectively) and that polymer inclusions can be used to tailor the ignition threshold. Furthermore, this class of modified metal particles shows significant promise for application in many different energetic materials that use metal fuels.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Oxygen transport in the internal xenon plasma of a dispenser hollow cathode

Reactive gases such as oxygen and water vapor modify the surface morphology of BaO dispenser cathodes and degrade the electron emission properties. For vacuum cathodes operating at fixed temperature, the emission current drops rapidly when oxygen adsorbs on top of the low work function surface. Previous experiments have shown that plasma cathodes are more resistant to oxygen poisoning and can operate with O{sub 2} partial pressures one to two orders of magnitude higher than vacuum cathodes before the onset of poisoning occurs. Plasma cathodes used for electric thrusters are typically operated with xenon; however, gas phase barium, oxygen, and tungsten species may be found in small concentrations. The densities of these minor species are small compared with the plasma density, and thus, their presence in the discharge does not significantly alter the xenon plasma parameters. It is important, however, to consider the transport of these minor species as they may deposit on the emitter surface and affect the electron emission properties. In this work, we present the results of a material transport model used to predict oxygen fluxes to the cathode surface by solving the species conservation equations in a cathode with a 2.25 mm diameter orifice operated at a discharge current of 15 A, a Xe flow rate of 3.7 sccm, and 100 ppm of O{sub 2}. The dominant ionization process for O{sub 2} is resonant charge exchange with xenon ions. Ba is effectively recycled in the plasma; however, BaO and O{sub 2} are not. The model shows that the oxygen flux to the surface is not diffusion-limited; therefore, the high resistance to oxygen poisoning observed in plasma cathodes likely results from surface processes not considered here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Geomechanical in situ testing of fault reactivation in argillite repositories

Abstract. Pressurization of natural faults as a result of repository-induced effects can lead to their reactivation and permeability generation in case such features are present near disposal tunnels. Potential driving forces for such pressurization are the temperature increase caused by heat-producing high-level radioactive waste and the generation of hydrogen and other gases due to corrosion of engineered materials. We are primarily concerned about pressurization and fault activation in host rocks and faults that have very low natural permeability for pore pressure increases to dissipate, such as the argillite rocks currently investigated in Switzerland, France and other countries. This presentation discusses a series of in situ experiments of fault activation by fluid injection conducted in the argillite rock (Opalinus clay) at the Mont Terri underground research laboratory in Switzerland. A multi-model monitoring test bed was installed at Mont Terri that includes distributed fiber optics for strain, temperature, and acoustics; local fault pore pressure and three-dimensional displacement sensors; active seismic imaging; and passive seismic monitoring. The fault experiments (and their subsequent analysis via hydromechanical modeling) provide a new fundamental understanding of the coupling between pore pressure, fault deformation and permeability generation as a function of time and allow exploring how seismic and aseismic events may impact the integrity of faulted argillite host rock. Our experimental observations demonstrate that significant flow (and transport) can occur along the initially impermeable argillite fault when rupture is activated. However, the fault permeability decreases to almost its pre-activation value when fluid injection ceases and fluid pressure drops. Dilatant slip on the fault plane alone does not explain the observed increase in fault permeability; pressure-induced fault opening also plays a role, favored by the softness of the shale along with the fact that the structure of the fault zone prevents fluids from diffusing into the adjacent damage zone. Rupture initiation and permeability generation is initially aseismic, associated only with an increase in noise level and emerging tremors. Micro-earthquakes are initiated later in the experiments and typically occur away from the fluid-pressurized area. Hydromechanical models show that stress transferred from the initial aseismic deformation can build up to stress criticality and later induce seismic rupture. After presenting the experimental results, we will close the presentation with an outlook to future experimental campaigns using the fault test bed at Mont Terri. We are currently planning a controlled thermal stimulation of the fault, where instead of fluid injection as a trigger mechanism we will heat up the nearby rock volume and measure potential effects on fault stability. Lessons learned from our past and future experiments will help inform the safety assessment of geologic disposal in argillite host rock.

Birkholzer, Jens T.↗
DOE OSTI2025

Reactive Carbide‐Based Synthesis and Microstructure of NASICON Sodium Metal All Solid‐State Electrolyte

Reactive carbide precursor-based synthesis of NASICON-type NZSP (Na 1+x Zr 2 Si x P 3-x O 12 ) solid-state electrolyte (SSE) is demonstrated, in contrast to the established oxide-based approach. Exothermic decomposition of ZrC and SiC in air homogenizes microstructure, yielding 98% compact density after conventional sintering at 1200 °C. Quantitative stereology demonstrates that significant microstructural differences are present. Compacts of carbide-derived Carb-NZSP are 98% dense with a secondary zirconium oxide (ZrO 2 ) volume fraction of 0.2% ± 0.3%, versus 93% dense and 3% ± 1% for oxide-derived baseline. For Carb-NZSP, the secondary glassy phosphate phase is agglomerated, while for baseline, it is dispersed and percolated. Electrochemical testing combined with post-mortem analysis demonstrates how microstructural control of secondary phases is critical for dendrite suppression: Carb-NZSP critical current density (CCD) is 3.1 ± 0.8 mA cm −2 at 0.1 mAh cm −2 , versus 1.0 ± 0.7 mA cm −2 at 0.1 mAh cm −2 . Cryogenic focused ion beam (cryo-FIB) analysis demonstrates that in both materials, the porous 2D sheet-like sodium metal dendrites propagate around and subsume NZSP grains, likely following a path enriched with glassy phase and with porosity. Dendrites also flow around isolated zirconia particles. Phase field simulation reveals deflection of dendrites by mechanically tough zirconia, while brittle glassy phase accelerates dendrite growth, especially when finely distributed.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Charge Deposition/Neutralization and Dust Removal via Plasma Interactions

Electrically charged and chemically reactive lunar dust can cause serious problems to spacecraft, surface equipment, and astronaut health, so understanding its interaction with and transport through the lunar plasma environment is important to dust mitigation efforts. We explore the charging of granular material in the natural environment of the Moon, recreate those conditions in the laboratory under high vacuum, and examine dust transport and charge neutralization for application in future lunar missions. Phenomena such as charge deposition via electron and ion beams, photoionization through ultraviolet light exposure, neutralization of charge through impingement by an ionized compressed gas, and tribocharging during dust liberation from surfaces will be presented. Surface materials of interest such as floating/grounded conductors and orthofabric for spacesuits are the preliminary focus of this effort. An electrometer is used to characterize currents interacting with the surfaces in the case of the electron/ion/UV source exposure, an electrostatic voltmeter is used to measure the potential on the surfaces without inadvertently discharging them, and a charge plate monitor is used to verify the efficiency of discharging the surfaces via ionized gas impingement. After setup of the initial charge conditions on the surfaces, a quick burst of high-pressure gas is used to overcome adhesion forces and initially dislodge the dust from the surfaces, followed by a low flow of gas that is ionized via application of a strong electric field. The gas is released in a high vacuum environment so as the pressure drops from the initial compressed state through to the vacuum state, the mean free path reaches a point where ionization can occur before all the gas disperses into the vacuum. This ionized gas can then neutralize both the dust and the surface to ensure minimal resettling. Several parameters such as gas composition, electrode geometry, high voltage waveform shape/polarity, and pulse timing have been explored and will be presented here.

electrostatics↗
DOE OSTI2018

International Collaboration Activities on Disposal in Argillite R&D: DECOVALEX19 Task C – Geochemical and Reactive Transport Modeling

International collaborations on nuclear waste disposal R&D are an integral part of the Spent Fuel Waste Science and Technology (SFWST) campaign within the DOE Fuel Cycle and Technology (FCT) program. These partnerships with international repository R&D programs provide key opportunities to participate in experiments developing laboratory/field data (underground research laboratories (URL)) of engineered barrier system (EBS) interactions (e.g., near-field) and characterization of transport phenomena in the host rock (e.g., far-field). The results of these experiments are used in the evaluation of coupled processes and their representation via state-of-the-art simulation approaches to evaluate repository performance. During the thermal heating period, increases in temperature from radionuclide decay in the spent fuel (SF) waste canisters will increase temperature in the surrounding EBS driving chemical and transport processes in the near- and far-field domains of the repository. URL heater-tests for extended periods of times (e.g., years) provide key information and data on thermal effects affecting engineered barriers in response to temperature and water saturation levels. Groundwater interactions with cementitious barriers are also important to in-drift chemistry and EBS performance during post-closure. Descriptions of the various URL experiments for various disposal design concepts according to the host country repository program and relevance to the US program is given elsewhere (Birkholzer et al.,2017;Jové Col& et al., 2016). The DECOVALEX-2019 Task C involves collaboration with the GREET (Groundwater REcovery Experiment in Tunnel) at the Mizunami URL, Japan ,which targets the development of monitoring methodologies of groundwater in granitic rock with applications to THMC simulations (Iwatsuki et al., 2005;Iwatsuki et al.,2015,2017). Some of the goals of GREET is to conduct a facility-scale geochemical characterization study of short- and long-term effects of tunnel excavation activities, impacts on groundwater flow and transport, and influences on groundwater chemistry (Iwatsuki et al.,2015). The data obtained from these URL activities is then used in the development and evaluation of THC models to support post-closure safety and performance assessments of the repository environment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Review of Power System Support Functions for Inverter-Based Distributed Energy Resources - Standards, Control Algorithms, and Trends

Penetration of renewable energy in power systems has been increasing in the past decades in response to increased global electricity demand and concerns for the environment. Distributed energy resources (DERs) based on renewables have experienced rapid growth thanks to the incentive programs and broad-based participation. With the growing prevalence of DERs, the risk of grid instability and vulnerability increases due to the intermittent nature of renewable energy. At the same time, the voltage and frequency deviation problems emerge more often when the reverse power flow occurs under supply-demand imbalance in distributed power systems. Standards and grid codes have been issued for DER inverters to interconnect with the distribution grid. The updated standard and grid codes expect DERs to provide a variety of power system support functions in order to incorporate higher DER penetration and to maximize DER value to the grid. This paper provides an overview of the power system support functions from renewable DER inverters, which are categorized as: voltage regulation by active/reactive power control, frequency regulation by active power control, voltage ride-through, and frequency ride-through. The benefits and drawbacks of each algorithm are presented and compared with its predecessor, manifesting the logic in the evolution of the algorithms.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Mechanically Accelerated Depolymerization of Entangled Linear Polymer Melts

Mechanical forces can enhance the chemical depolymerization of synthetic polymers when shear flow accelerates chain scission. To quantify the extent of mechanically-accelerated scission, the effect of simple shear flow (duration and strength) with low Weissenberg and Deborah numbers was investigated by considering the impact of applied work in both simple shear and shear dominated mixed flows. Hydrogenated polyisoprene was chosen as a model linear, entangled system. The conditions (strain amplitude, frequency, and shearing time) necessary to increase chain scission were assessed in the rubbery melt. Shear flow accelerated chain scission at higher temperatures, suggesting an activated process. Isothermal scission versus work curves were superposed by applying shift factors a T,S , whose Arrhenius-like temperature dependence gave an apparent activation energy for chain scission of ~ 110 kJ/mol, which is likely a combination of the activation energy of viscosity and bond energy. This work provides a base for quantifying the impact of shear on depolymerization of polymer melts and highlight the connection between viscous dissipation and scission chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The Nanoscale Basis of CO 2 Trapping for Geologic Storage

Carbon capture and storage (CCS) is likely to be a critical technology to achieve large reductions in global carbon emissions over the next century. Research on the subsurface storage of CO 2 is aimed at reducing uncertainties in the efficacy of CO 2 storage in sedimentary rock formations. Three key parameters that have a nanoscale basis and that contribute uncertainty to predictions of CO 2 trapping are the vertical permeability k v of seals, the residual CO 2 saturation S g,r in reservoir rocks, and the reactive surface area a r of silicate minerals. This review summarizes recent progress and identifies outstanding research needs in these areas. Available data suggest that the permeability of shale and mudstone seals is heavily dependent on clay fraction and can be extremely low even in the presence of fractures. Investigations of residual CO 2 trapping indicate that CO 2 -induced alteration in the wettability of mineral surfaces may significantly influence S g,r . Ultimately, the rate and extent of CO 2 conversion to mineral phases are uncertain due to a poor understanding of the kinetics of slow reactions between minerals and fluids. Finally, rapidly improving characterization techniques using X-rays and neutrons, and computing capability for simulating chemical interactions, provide promise for important advances.

58 GEOSCIENCES↗
NASA NTRS2003

Process for Smoothing an Si Substrate after Etching of SiO2

A reactive-ion etching (RIE) process for smoothing a silicon substrate has been devised. The process is especially useful for smoothing those silicon areas that have been exposed by etching a pattern of holes in a layer of silicon dioxide that covers the substrate. Applications in which one could utilize smooth silicon surfaces like those produced by this process include fabrication of optical waveguides, epitaxial deposition of silicon on selected areas of silicon substrates, and preparation of silicon substrates for deposition of adherent metal layers. During etching away of a layer of SiO2 that covers an Si substrate, a polymer becomes deposited on the substrate, and the substrate surface becomes rough (roughness height approximately equal to 50 nm) as a result of over-etching or of deposition of the polymer. While it is possible to smooth a silicon substrate by wet chemical etching, the undesired consequences of wet chemical etching can include compromising the integrity of the SiO2 sidewalls and undercutting of the adjacent areas of the silicon dioxide that are meant to be left intact. The present RIE process results in anisotropic etching that removes the polymer and reduces height of roughness of the silicon substrate to less than 10 nm while leaving the SiO2 sidewalls intact and vertical. Control over substrate versus sidewall etching (in particular, preferential etching of the substrate) is achieved through selection of process parameters, including gas flow, power, and pressure. Such control is not uniformly and repeatably achievable in wet chemical etching. The recipe for the present RIE process is the following: Etch 1 - A mixture of CF4 and O2 gases flowing at rates of 25 to 75 and 75 to 125 standard cubic centimeters per minute (stdcm3/min), respectively; power between 44 and 55 W; and pressure between 45 and 55 mtorr (between 6.0 and 7.3 Pa). The etch rate lies between approximately equal to 3 and approximately equal to 6 nm/minute. Etch 2 - O2 gas flowing at 75 to 125 stdcm3/min, power between 44 and 55 W, and pressure between 50 and 100 mtorr (between 6.7 and 13.3 Pa).

Turner, Tasha↗
DOE OSTI2014

Systems Biology Model of Interactions Between Tissue Growth Factors and DNA Damage Pathways: Low Dose Response and Cross-Talk in TGFbeta and ATM Signaling

The etiology of radiation carcinogenesis has been described in terms of aberrant changes that span several levels of biological organization. Growth factors regulate many important cellular and tissue functions including apoptosis, differentiation and proliferation. A variety of genetic and epigenetic changes of growth factors have been shown to contribute to cancer initiation and progression. It is known that cellular and tissue damage to ionizing radiation is in part initiated by the production of reactive oxygen species, which can activate cytokine signaling, and the DNA damage response pathways, most notably the ATM signaling pathway. Recently the transforming growth factor β (TGFβ) pathway has been shown to regulate or directly interact with the ATM pathway in the response to radiation. The relevance of this interaction with the ATM pathway is not known although p53 becomes phosphorylated and DNA damage responses are involved. However, growth factor interactions with DNA damage responses have not been elucidated particularly at low doses and further characterization of their relationship to cancer processes is warranted. Our goal will be to use a systems biology approach to mathematically and experimentally describe the low dose responses and cross-talk between the ATM and TGFβ pathways initiated by low and high LET radiation. We will characterize ATM and TGFβ signaling in epithelial and fibroblast cells using 2D models and ultimately extending to 3D organotypic cell culture models to begin to elucidate possible differences that may occur for different cell types and/or inter-cellular communication. We will investigate the roles of the Smad and Activating transcription factor 2 (ATF2) proteins as the potential major contributors to cross- talk between the TGFβ and ATM pathways, and links to cell cycle control and/or the DNA damage response, and potential differences in their responses at low and high doses. We have developed various experimental approaches to apply to these problems using confocal microscopy and flow cytometry to detail changes at low dose/dose-rate in order to understand individual cell responses, and will establish our mathematical models based on the experimental findings resulting from changes in DNA repair, apoptosis and proliferation.

O'Neill, Peter↗
DOE OSTI2016

Systems Biology Model of Interactions between Tissue Growth Factors and DNA Damage Pathways: Low Dose Response and Cross-Talk in TGFβ and ATM Signaling

The etiology of radiation carcinogenesis has been described in terms of aberrant changes that span several levels of biological organization. Growth factors regulate many important cellular and tissue functions including apoptosis, differentiation and proliferation. A variety of genetic and epigenetic changes of growth factors have been shown to contribute to cancer initiation and progression. It is known that cellular and tissue damage to ionizing radiation is in part initiated by the production of reactive oxygen species, which can activate cytokine signaling, and the DNA damage response pathways, most notably the ATM signaling pathway. Recently, the transforming growth factor β (TGFβ) pathway has been shown to regulate or directly interact with the ATM pathway in the response to radiation. The relevance of this interaction with the ATM pathway is not known although p53 becomes phosphorylated and DNA damage responses are involved. However, growth factor interactions with DNA damage responses have not been elucidated particularly at low doses, and further characterization of their relationship to cancer processes is warranted. Our goal will be to use a systems biology approach to mathematically and experimentally describe the low-dose responses and cross-talk between the ATM and TGFβ pathways initiated by low- and high-LET radiation. We will characterize ATM and TGFβ signaling in epithelial and fibroblast cells using 2D models and ultimately extending to 3D organotypic cell culture models to begin to elucidate possible differences that may occur for different cell types and/or inter-cellular communication. We will investigate the roles of the Smad and Activating transcription factor 2 (ATF2) proteins as the potential major contributors to crosstalk between the TGFβ and ATM pathways, and links to cell cycle control and/or the DNA damage response, and potential differences in their responses at low and high doses. We have developed various experimental approaches to apply to these problems using confocal microscopy and flow cytometry to detail changes at low dose/dose-rate in order to understand individual cell responses, and will establish our mathematical models based on the experimental findings resulting from changes in DNA repair, apoptosis and proliferation.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2017

Dynamic Analysis of the Next Generation Molten-Salt Breeder Reactor System

The conceptual design of a 1000 MWe two-fluid molten-salt breeder reactor (MSBR) station was performed during 1966-1970 at Oak Ridge National Laboratory (ORNL) with the goal of using the U-233 fuel cycle. This modular design with four reactor modules has an electrical output of 250 MW/module. The abundance of Th-232 was attractive in converting it to U-233 in a thermal breeder reactor. The two-fluid reactor is graphite-moderated 'with a {sup 7}LiF-BeF{sub 2}-UF{sub 4} fuel salt circulated through the core and a {sup 7}LiF-ThF{sub 4}-BeF{sub 2} blanket salt circulated through separate flow channels distributed throughout the core, as well as in a surrounding under-moderated region'. This reactor design has the advantages of not producing Pu isotopes and easy chemical separation of U-233 in the blanket material. The low fuel cost and the graphite replacement cost are attractive for such a design, with an estimated cost of $141/kW at 1968-dollar value. Potential non-proliferation features of MSBR, the low costs of raw materials, and established chemical separation of fission products are important factors in further development of MSBRs as an alternative to current light water reactors. These reactors are often referred to as liquid fluoride thorium reactor (LFTR). The current research on the modeling of the MSBR is based on an earlier work on the preliminary dynamic model of the MSBR concept. Revisions are made to the original model. The physics parameters have been modified for the current modeling effort based on additional information including more recent values of model parameters from and several typographical misprints in equations and values. Details of this effort will be presented in a full follow-up paper. This work presents the detailed nodal models of reactor fluid core, blanket fluid loop, graphite moderator, fuel fluid heat exchanger, and the blanket fluid heat exchanger. A set of simulations has been performed to validate the model using the commercial software MATLAB{sup TM}-Simulink. Simulations were performed for the cases of source perturbation and reactivity perturbation. The model is inherently nonlinear. A description of the MSBR conceptual design, along with a tabulation of relevant system parameters, is presented. The results of simulation demonstrate stable behavior of the MSBR dynamics, temperature feedback effects, and load-following capability of the MSBR system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Relating the depth of the water table to the depth of weathering

Weathering of bedrock creates and occludes permeability, affecting subsurface water flow. Often, weathering intensifies above the water table. On the other hand, weathering can also commence below the water table. To explore relationships between weathering and the water table, a simplified weathering model for an eroding hillslope was formulated that takes into account both saturated and unsaturated subsurface water flow (but does not fully account for changes in dissolved gas chemistry). The phreatic line was calculated using solutions to mathematical treatments for both zones. In the model, the infiltration rate at the hill surface sets both the original and the eventual steady-state position of the water table with respect to the weathering reaction front. Depending upon parameters, the weathering front can locate either above or below the water table at steady state. Erosion also affects the water table position by changing porosity and permeability even when other hydrological conditions (e.g. hydraulic conductivity of parent material, infiltration rate at the surface) do not change. The total porosity in a hill (water storage capacity) was found to increase with infiltration rate (all else held constant). Furthermore, this effect was diminished by increasing the erosion rate. We also show examples of how the infiltration rate affects the position of the water table and how infiltration rate affects weathering advance.

58 GEOSCIENCES↗