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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

In the Mix : A Workshop Merging Computational Chemistry and Electrochemistry Alongside Data Science

As chemistry expands to more complex and interdisciplinary areas, a new generation of diverse researchers must engage with science and learn effective cross-disciplinary collaboration and communication. To these ends, we designed and implemented In the Mix, a graduate student-led, two-day workshop for undergraduate students promoting collaborative science in the context of energy storage innovations. Here, the interactive workshop was designed for future and emerging researchers to gain hands-on experience with data science, computational chemistry, and electrochemistry techniques that are critical for developing materials for battery technologies. Participants also visited commercial renewable energy facilities to help them connect discovery-based research with industry and broader societal considerations. The workshop content and structure ensured that participants experienced the interrelatedness of the fields and understood the importance of collaborative research to yield scientific advances with real-world applications. An external team evaluated the workshop and participants’ perceptions of their experiences. While our research context was energy storage, the workshop goals and outcomes are applicable to other contexts. Interdisciplinary, experiential workshops are a key avenue to broadening participation in science and research, and the ideas presented here can be readily modified for other scientific contexts and/or incorporated as broader impact activities.

25 ENERGY STORAGE↗
DOE OSTI2020

Benchmark for Fuel Shuffling and Depletion for Pebble-Bed Reactors

Pebble bed reactors have specific operational characteristics when their fuel-cycle and fueling operations are considered. They are specifically distinguished by other type of nuclear reactor designs by their online fuel recycling scheme, where the fuel elements that have not yet reached discharge burnup can be reloaded and recycled continuously during normal operation. The fuel in a pebble bed reactor is not stationary and stochastically moves through the core once or several times during its lifetime, which allows them to operate without requiring a large excess reactivity hold for the burnup. However, this characteristic of pebble bed reactors introduces challenges in simulation, as each pebble can take many different trajectories through the core, its composition depends on the details of the irradiation history that is unique to its aggregated path through the core. For predicting the safety performance characteristics, such as source term, maximum fuel temperatures and fuel failure rates, etc., it is important to accurately incorporate the movement of pebbles through the core during their lifetime in a multi-physics simulation together with other phenomena. The equilibrium core analysis for pebble bed reactors are performed with multi-physics tools including fuel depletion in a multi pass reload coupled to the fuel movement. Currently, there are only a few legacy multi-physics simulation tools that can implement the pebble flow characteristics and perform equilibrium core analysis for pebble bed reactors. However, there are development efforts on-going under Department of Energy's Nuclear Energy Advanced Modelling and Simulation program and also in private industry for including these capabilities into their modelling and simulation tools. Any new development in the modelling and simulation tools needs to be validated by using tools such as experiments, analytical solutions or code-to-code benchmarks. In this work, a code-to-code benchmark for the equilibrium core analysis capability of pebble bed reactors was developed. Multiple cases were identified to capture different fuel cycle strategies that can be used in PBRs. The results of each case are presented in terms of overall equilibrium core characteristics: the discharge burnup; spatial burnup distribution; spatial isotopic distributions; axial and radial neutron flux distributions and power history of fuel elements per pass through the core for both a prototypical pebble bed High Temperature Gas-cooled Reactor and a prototypical pebble bed Fluoride-salt cooled High temperature Reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2007

Diffusion Flame Stabilization

Diffusion flames are commonly used for industrial burners in furnaces and flares. Oxygen/fuel burners are usually diffusion burners, primarily for safety reasons, to prevent flashback and explosion in a potentially dangerous system. Furthermore, in most fires, condensed materials pyrolyze, vaporize, and burn in air as diffusion flames. As a result of the interaction of a diffusion flame with burner or condensed-fuel surfaces, a quenched space is formed, thus leaving a diffusion flame edge, which plays an important role in flame holding in combustion systems and fire spread through condensed fuels. Despite a long history of jet diffusion flame studies, lifting/blowoff mechanisms have not yet been fully understood, compared to those of premixed flames. In this study, the structure and stability of diffusion flames of gaseous hydrocarbon fuels in coflowing air at normal earth gravity have been investigated experimentally and computationally. Measurements of the critical mean jet velocity (U(sub jc)) of methane, ethane, or propane at lifting or blowoff were made as a function of the coflowing air velocity (U(sub a)) using a tube burner (i.d.: 2.87 mm) (Fig. 1, left). By using a computational fluid dynamics code with 33 species and 112 elementary reaction steps, the internal chemical-kinetic structures of the stabilizing region of methane and propane flames were investigated (Fig. 1, right). A peak reactivity spot, i.e., reaction kernel, is formed in the flame stabilizing region due to back-diffusion of heat and radical species against an oxygen-rich incoming flow, thus holding the trailing diffusion flame. The simulated flame base moved downstream under flow conditions close to the measured stability limit.

Takahashi, Fumiaki↗
NASA NTRS2007

Portable Apparatus for Electrochemical Sensing of Ethylene

A small, lightweight, portable apparatus based on an electrochemical sensing principle has been developed for monitoring low concentrations of ethylene in air. Ethylene has long been known to be produced by plants and to stimulate the growth and other aspects of the development of plants (including, notably, ripening of fruits and vegetables), even at concentrations as low as tens of parts per billion (ppb). The effects are magnified in plant-growth and -storage chambers wherein ethylene can accumulate. There is increasing recognition in agriculture and related industries that it is desirable to monitor and control ethylene concentrations in order to optimize the growth, storage, and ripening of plant products. Hence, there are numerous potential uses for the present apparatus in conjunction with equipment for controlling ethylene concentrations. The ethylene sensor is of a thick-film type with a design optimized for a low detection limit. The sensor includes a noble metal sensing electrode on a chip and a hydrated solid-electrolyte membrane that is held in contact with the chip. Also located on the sensor chip are a counter electrode and a reference electrode. The sensing electrode is held at a fixed potential versus the reference electrode. Detection takes place at active-triple-point areas where the sensing electrode, electrolyte, and sample gas meet. These areas are formed by cutting openings in the electrolyte membrane. The electrode current generated from electrochemical oxidation of ethylene at the active triple points is proportional to the concentration of ethylene. An additional film of the solid-electrolyte membrane material is deposited on the sensing electrode to increase the effective triple-point areas and thereby enhance the detection signal. The sensor chip is placed in a holder that is part of a polycarbonate housing. When fully assembled, the housing holds the solid-electrolyte membrane in contact with the chip (see figure). The housing includes a water reservoir for keeping the solid-electrolyte membrane hydrated. The housing also includes flow channels for circulating a sample stream of air over the chip: ethylene is brought to the sensing surface predominately by convection in this sample stream. The sample stream is generated by a built-in sampling pump. The forced circulation of sample air contributes to the attainment of a low detection limit.

Manoukian, Mourad↗
DOE OSTI2026

Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling as Catalysts for Next-Generation Breakthroughs

The Presidential Symposium (PRES) at the 2025 Fall Meeting, hosted by the President’s Office and Energy and Fuels Division, American Chemical Society (ACS) in Washington, DC, brought together a diverse group of chemists, engineers, and materials scientists working in battery materials & systems, automation and artificial intelligence from academia, industry, and national laboratories. The accelerating demand for high-performance, scalable, and sustainable energy storage has catalyzed a paradigm shift in how materials are dis-covered, devices are engineered, and systems are optimized. This Presidential Symposium, entitled “Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling Driving Next-Gen Breakthroughs”, brings together global leaders to unveil transformative strategies anchored in the AAA framework: Artificial Intelligence, Automation, and Advanced Modeling. Artificial Intelligence is redefining the frontiers of energy storage by enabling predictive design, real-time optimization, and intelligent control across diverse chemistries and architectures. Automation is streamlining the synthesis, characterization, and testing of battery materials, dramatically accelerating innovation cycles and unlocking scalable solutions for grid and mobility applications. Advanced Modeling, spanning atomic to system-level scales, provides unprecedented insight into electrochemical dynamics, degradation pathways, and thermal behavior, particularly when coupled with physics-informed machine learning and digital twin technologies. Digital twins, in turn, leverage the AAA framework by integrating real-time data, physics-based models, and AI predictions into dynamic virtual replicas, enabling proactive diagnostics, optimization, and system resilience. Together, these synergistic pillars are not only re-shaping the scientific landscape but also forging a new era of reproducible, data-driven, and resilient energy storage innovation. In conclusion, this symposium marks a pivotal moment in the convergence of computational intelligence and experimental rigor, charting the course for next-generation breakthroughs in lithium-ion, solid-state, and flow battery technologies.

Artificial Intelligence (AI)↗
DOE OSTI2020

Controlled 3D nanoparticle deposition by drying of colloidal suspension in designed thin micro-porous architectures

Nanoparticle deposition by drying of colloidal suspension in thin micro-porous architectures has attracted a lot of attention in scientific research as well as industrial applications. However, the underlying mechanisms of such three-dimensional (3D) deposition are not yet fully revealed due to the complexity of the co-occurring processes of two-phase fluid flows, phase change and mass transport. Consequently, the control of 3D nanoparticle deposition remains a challenge. We use a combined experimental and numerical approach to achieve controlled 3D nanoparticle deposition by drying of colloidal suspension in two pillar-based thin micro-porous architectures. By the design of pillar layout, rectangular-spiral and circular-spiral deposition configurations are obtained globally. By varying the surface wettability, vertically symmetric and sloped nanoparticle depositions can be achieved locally. While the numerical modeling reveals the mechanisms of liquid internal flow, as well as the impact of local drying rate on nanoparticle transport, accumulation and final deposition, the experimental results of deposition configurations validate the controlling strategies. This combined experimental and numerical work provides a framework to achieve desired 3D nanoparticle deposition in thin micro-porous architectures, with a thorough understanding of the underlying mechanisms of two-phase fluid flows, phase change and mass transport.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Combustion of Metals in Reduced-Gravity and Extra Terrestrial Environments

The combustion of metals is a field with important practical applications in rocket propellants, high-temperature flames, and material synthesis. Also, the safe operation of metal containers in high-pressure oxygen systems and with cryogenic fuels and oxidizers remains an important concern in industry. The increasing use of metallic components in spacecraft and space structures has also raised concerns about their flammability properties and fire suppression mechanisms. In addition, recent efforts to embark on unmanned and manned planetary exploration, such as on Mars, have also renewed the interest in metal/carbon-dioxide combustion as an effective in situ resource utilization technology. In spite of these practical applications, the understanding of the combustion properties of metals remains far behind that of the most commonly used fuels such as hydrocarbons. The lack of understanding is due to the many problems unique to metal- oxidizer reactions such as: low-temperature surface oxidation prior to ignition, heterogeneous reactions, very high combustion temperatures, product condensation, high emissivity of products, and multi-phase interactions. Very few analytical models (all neglecting the influence of gravity) have been developed to predict the burning characteristics and the flame structure details. Several experimental studies attempting to validate these models have used small metal particles to recreate gravity-free conditions. The high emissivity of the flames, rapid reaction, and intermittent explosions experienced by these particles have made the gathering of any useful information on burning rates and flame structure very difficult. The use of a reduced gravity environment is needed to clarify some of the complex interactions among the phenomena described above. First, the elimination of the intrusive buoyant flows that plague all combustion phenomena is of paramount importance in metal reactions due to the much higher temperatures reached during combustion. Second, a low-gravity environment is absolutely essential to remove the destructive effect of gravity on the shape of a molten metal droplet in order to study a spherically symmetric condition with large bulk samples. The larger size of the spherical metal droplet and the longer burning times available in reduced gravity extend the spatial and temporal dimensions to permit careful probing of the flame structure and dynamics. Third, the influence of the radiative heat transfer from the solid oxides can be studied more carefully by generating a stagnant spherical shell of condensed products undisturbed by buoyancy.

Branch, M.C.↗
NASA NTRS1994

Detection of Cracks at Welds in Steel Tubing Using Flux Focusing Electromagnetic Probe

The inspection of weldments in critical pressure vessel joints is a major concern in the nuclear power industry. Corrosive environments can speed the fatigue process and access to the critical area is often limited. Eddy current techniques have begun to be used to help overcome these obstacles [1]. As direct contact and couplants are not required, remote areas can be inspected by simply snaking an eddy current coil into the intake tube of the vessel. The drawback of the eddy current method has been the high sensitivity to small changes in the conductivity and permeability of the test piece which are known to vary at weldments [1]. The flaw detection mechanism of the flux focusing electromagnetic probe can help alleviate these difficulties and provide a unique capability for detecting longitudinal fatigue cracks in critical tube structures. The Flux Focusing Electromagnetic Flaw Detector, originally invented for the detection of fatigue and corrosion damage in aluminum plates [2-3], has been adapted for use in testing steel tubing for longitudinal fatigue cracks. The modified design allows for the probe to be placed axisymmetrically into the tubing, inducing eddy currents in the tube wall. The pickup coil of the probe is fixed slightly below the primary windings and is rotated 90 so that its axis is normal to the tube wall. The magnetic flux of the primary coil is focused through the use of ferromagnetic material so that in the absence of fatigue damage there will be no flux linkage with the pickup coil. The presence of a longitudinal fatigue crack will cause the eddy currents induced in the tube wall to flow around the flaw and directly under the pickup coil. The magnetic field associated with these currents will then link the pickup coil and an unambiguous increase in the output voltage of the probe will be measured. The use of the flux focusing electromagnetic probe is especially suited for the detection of flaws originating at or near tube welds. The probe is shown to discriminate against signals due solely to the weld joint so that flaw signals are not hidden in the background in these locations. Experimental and finite element modeling results are presented for the flaw detection capabilities of the probe in stainless steel tubes.

Wincheski, Buzz↗
NASA NTRS2012

The PROPEL Electrodynamic Tether Mission and Connecting to the Ionosphere

The exponential increase of launch system size.and cost.with delta-V makes missions that require large total impulse cost prohibitive. Led by NASA's Marshall Space Flight Center, a team from government, industry, and academia has developed a flight demonstration mission concept of an integrated electrodynamic (ED) tethered satellite system called PROPEL: "Propulsion using Electrodynamics". The PROPEL Mission is focused on demonstrating a versatile configuration of an ED tether to overcome the limitations of the rocket equation, enable new classes of missions currently unaffordable or infeasible, and significantly advance the Technology Readiness Level (TRL) to an operational level. We are also focused on establishing a far deeper understanding of critical processes and technologies to be able to scale and improve tether systems in the future. Here, we provide an overview of the proposed PROPEL mission. One of the critical processes for efficient ED tether operation is the ability to inject current to and collect current from the ionosphere. Because the PROPEL mission is planned to have both boost and deboost capability using a single tether, the tether current must be capable of flowing in both directions and at levels well over 1 A. Given the greater mobility of electrons over that of ions, this generally requires that both ends of the ED tether system can both collect and emit electrons. For example, hollow cathode plasma contactors (HCPCs) generally are viewed as state-of-the-art and high TRL devices; however, for ED tether applications important questions remain of how efficiently they can operate as both electron collectors and emitters. Other technologies will be highlighted that are being investigated as possible alternatives to the HCPC such as Solex that generates a plasma cloud from a solid material (Teflon) and electron emission (only) technologies such as cold-cathode electron field emission or photo-electron beam generation (PEBG) techniques.

Gilchrist, Brian↗
NASA NTRS2012

Technology Area Roadmap for In-Space Propulsion Technologies

The exponential increase of launch system size.and cost.with delta-V makes missions that require large total impulse cost prohibitive. Led by NASA fs Marshall Space Flight Center, a team from government, industry, and academia has developed a flight demonstration mission concept of an integrated electrodynamic (ED) tethered satellite system called PROPEL: \Propulsion using Electrodynamics.. The PROPEL Mission is focused on demonstrating a versatile configuration of an ED tether to overcome the limitations of the rocket equation, enable new classes of missions currently unaffordable or infeasible, and significantly advance the Technology Readiness Level (TRL) to an operational level. We are also focused on establishing a far deeper understanding of critical processes and technologies to be able to scale and improve tether systems in the future. Here, we provide an overview of the proposed PROPEL mission. One of the critical processes for efficient ED tether operation is the ability to inject current to and collect current from the ionosphere. Because the PROPEL mission is planned to have both boost and deboost capability using a single tether, the tether current must be capable of flowing in both directions and at levels well over 1 A. Given the greater mobility of electrons over that of ions, this generally requires that both ends of the ED tether system can both collect and emit electrons. For example, hollow cathode plasma contactors (HCPCs) generally are viewed as state-of-the-art and high TRL devices; however, for ED tether applications important questions remain of how efficiently they can operate as both electron collectors and emitters. Other technologies will be highlighted that are being investigated as possible alternatives to the HCPC such as Solex that generates a plasma cloud from a solid material (Teflon) and electron emission (only) technologies such as cold-cathode electron field emission or photo-electron beam generation (PEBG) techniques

Johnson, Les↗
NASA NTRS2012

Overview of NASA's Microgravity Materials Research Program

The NASA microgravity materials program is dedicated to conducting microgravity experiments and related modeling efforts that will help us understand the processes associated with the formation of materials. This knowledge will help improve ground based industrial production of such materials. The currently funded investigations include research on the distribution of dopants and formation of defects in semiconductors, transitions between columnar and dendritic grain morphology, coarsening of phase boundaries, competition between thermally and kinetically favored phases, and the formation of glassy vs. crystalline material. NASA microgravity materials science investigators are selected for funding either through a proposal in response to a NASA Research Announcement or by participation in a team proposing to a foreign agency research announcement. In the latter case, a US investigator participating in a successful proposal to a foreign agency can then apply to NASA for funding of an unsolicited proposal. The program relies on cooperation with other aerospace partners from around the world. The ISS facilities used for these investigations are provided primarily by partnering with foreign agencies and in most cases the US investigators are working as a part of a larger team studying a specific area of materials science. The following facilities are to be utilized for the initial investigations. The ESA provided Low Gradient Facility and the Solidification and Quench Inserts to the Materials Research Rack/Materials Science Laboratory are to be used primarily for creating bulk samples that are directionally solidified or quenched from a high temperature melt. The CNES provided DECLIC facility is used to observe morphological development in transparent materials. The ESA provided Electro-Magnetic Levitator (EML) is designed to levitate, melt and then cool samples in order to study nucleation behavior. The facility provides conditions in which nucleation of the solid is not triggered from the wall and in which fluid flows in the sample can be controlled and manipulated. These conditions allow scientists ideal conditions for understanding the relative amounts and distribution of different phases that form in the solid. Finally, the Coarsening of Solid Liquid Melts hardware allows quenching of low temperature samples in the Microgravity Science Glovebox.

Downey, James Patton↗
DOE OSTI2020

Autoclave grid-to-rod fretting wear evaluation of a candidate cladding coating for accident-tolerant fuel

In pressurized water reactors (PWRs), water flow induced vibrations cause contact and rubbing between the fuel rods and the supporting grid, a phenomenon known as Grid-to-Rod-Fretting (GTRF). GTRF may produce progressive wear damage on the fuel claddings leading to subsequent leakage of radioactive fission products. Various accident-tolerant fuel (ATF) concepts are being developed for higher resistance to the high temperature steam and one approach is to apply a cladding coating. Here, fretting wear behavior of a candidate Cr-coating was investigated using a unique bench-scale autoclave testing rig mimicking the environment in an industrial full-assembly PWR simulator. The contact was under a realistically low load (~0.5 N) lubricated by deionized water at a temperature of 204 °C under a pressure of 20-23 bars. Results demonstrated that the Cr-coating significantly improved the cladding's wear resistance when tested against a commercial ZIRLO grid with or without pre-oxidization. In addition, the Cr-coating also reduced wear on the non-oxidized ZIRLO grid but slightly increased the wear on the pre-oxidized grid.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1970

Intumescent Coatings as Fire Retardants

The development of fire-retardant coatings to protect surfaces which may be exposed to fire or extreme heat is a subject of intense interest to many industries. A fire-retardant paint has been developed which represents a new chemical approach for preparing intumescent coatings, and potentially, is very important to fire-prevention authorities. The requirements for a superior coating include ease of application, suitability to a wide variety of surfaces and finishes, and stability over an extended period of time within a broad range of ambient temperature and humidity conditions. These innovative coatings, when activated by the heat of a fire, react to form a thick, low-density, polymeric coating or char layer. Water vapor and sulphur dioxide are released during the intumescent reaction. Two fire-protection mechanisms thus become available: (1) the char layer retards the flow of heat, due to the extremely low thermal conductivity; and (2) water vapor and sulfur dioxide are released, providing fire quenching properties. Still another mechanism functions in cases where the char, by virtue of its high oxidation resistance and low thermal conductivity, reaches a sufficiently high temperature to re-radiate much of the incident heat load. The coatings consist of dispersions of selective salts of a nitro-amino-arornatic compound. Specifically, para-nitroaniline bisulfate and the ammonium salt of para-nitroaniline-ortho sulphuric acid (2-amino-5-nitrobenzenesulphuric acid) are used. Suitable vehicles are cellulose nitrate of lacquer grade, a nitrite-phenolic modified rubber, or epoxy-polysulfide copolymer. Three separate formulations have been developed. A solvent is usually employed, such as methylethyl ketone, butyl acetate, or toluene, which renders the coatings suitably thin and which evaporates after the coatings are applied. Generally, the intumescent material is treated as insoluble in the vehicle, and is ground and dispersed in the vehicle and solvent like an ordinary coating pigment. The char found on intumescence is better in terms of yield and physical properties than chars obtained from many previously known intumescent materials. Prior to intumescence, the coating has a density of 85 pounds per cubic foot. After intumescence, the density is approximately 0.3 pounds per cubic loot. The linear expansion of the coatings ranges from 70 to 200 times the applied coating thickness.

Parker, J. A.↗
DOE OSTI2020

Implementation of Ion Exchange Processes for Carbon Dioxide Mineralization Using Industrial Waste Streams

Sequestration of CO 2 within stable mineral carbonates (e.g., CaCO 3 ) represents an attractive emission reduction strategy because it offers a leakage-free alternative to geological storage of CO 2 in an environmentally benign form. However, the pH of aqueous streams equilibrated with gaseous streams containing CO 2 (pH < 4) are typically lower than that which is required for carbonate precipitation (pH > 8). Traditionally, alkalinity is provided by a stoichiometric reagent (e.g., NaOH) which renders these processes environmentally hazardous and economically unfeasible. This work investigates the use of regenerable ion-exchange materials to induce alkalinity in CO 2 -saturated aqueous solutions such that the pH shift required for mineralization occurs without the need for stoichiometric reagents. Na + -H + exchange isotherms (at [H + ] = 10 −8 –10 −1 M) and rates were measured for 13X and 4A zeolites and TP-207 and TP-260 organic exchange resins in batch equilibrium and fixed-bed exchange experiments, respectively. At solutions equilibrated with CO 2 at 1.0 atm (pH = 3.9), H + exchange capacities for the materials were similar (1.7–2.4 mmol H + /g material) and resulted in pH increases from 3.9 to greater than 8.0. Multi-component mixtures using Ca 2+ and Mg 2+ cations (at 10 −3 –10 −1 M) in CO 2 -saturated water were used to probe competitive ion exchange. The presence of divalent cations in solution inhibited H + exchange, reducing capacities to as low as 0.2 mmol H + /g for both resins and zeolites. Dynamic H + exchange capacities in fixed-bed ion exchange columns were similar to equilibrium values for resins (∼1.5 mmol/g) and zeolites (∼0.8 mmol/g) using inlet solutions that were equilibrated with gaseous streams of CO 2 at 1.0 atm. However, exchange kinetics were limited by intraparticle diffusion as indicated by the increased rate parameters with increasing inlet flow rates (20–160 cm 3 min −1 ). Experimental calcite precipitation from mixing the alkaline CO 3 2− -rich water solution obtained from the ion-exchange column with a simulated liquid waste stream solution achieved thermodynamic maximum yields. The results from these studies indicate that ion exchange processes can be used as an alternative to the addition of stoichiometric bases to induce alkalinity for the precipitation of CaCO 3 , thereby opening a pathway toward sustainable and economic mineralization processes.

42 ENGINEERING↗
DOE OSTI2022

A low-input strategy for chromium removal from industrial stormwater using peat sorbent

Low-cost and low-input water treatment systems are important for industrial stormwater remediation. Here we examine a flow-through reactor treatment installation where water exceeds the allowable maximum concentration for drinking water in multiple metals (e.g., chromium [Cr], cadmium [Cd], zinc [Zn]) prior to treatment. Specifically, we seek to understand why Cr attenuated in the reactors is not leachable by identifying the specific chemical form of Cr and dominant mechanisms promoting sequestration in the reactors. Total solid-phase Cr concentration in the peat media ranged from 50 to 150 mg/kg after 1 yr of exposure to stormwater to 300 to 900 mg/kg after 3.5 yr. X-ray fluorescence mapping images show Cr, iron (Fe), and Zn spatially correlated over a scale of 10 μm to 5 mm. Chromium rinds form on the edges of peat particles as Cr accumulates. Chromium and Fe K-edge X-ray absorption near edge structure spectroscopy reveal chromium predominately in the 3+ oxidation state with lesser amounts of elemental Cr. We propose the primary means of chromium attenuation in the reactors is precipitation as Cr-Fe hydroxides combined with trivalent Cr adsorption onto peat surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Progress Report on Model Development for Aerosol Transport through Divergent Cracks Paths

This report summarizes the progress in developing a phenomenological model of aerosol transport, deposition, and plugging through microchannels. The purpose of this effort is to introduce to a user community—involving researchers, regulators, and industry—a generic, reliable numerical model for the prediction of aerosol transport while accounting for potential deposition and plugging of the leak paths to model spent nuclear fuel (SNF) release from postulated Stress Corrosion Cracks in canisters under storage or transportation. Current work focuses on expanding the model to predict aerosol (and gas) flow through complex microchannel (nozzle) geometries in addition to the rectangular and cylindrical geometries, as we approach more realistic Stress Corrosion Crack conditions. In this regard, a divergent nozzle geometry, used at Sandia National Laboratories (SNL) for testing aerosol release and retention (Durbin et al. 2021), was added to the model. The model was then validated with blowdown data for the particular microchannel, from experiments conducted at SNL. The report also presents preliminary non-benchmarked aerosol penetration fraction and mass flow rate for a monodisperse 10-micron (AED) particle concentration of 1.7e-08 kg/m 3 being released through the divergent microchannel geometry from the SNL’s aerosol experimental tank setup.Future work will involve validating the aerosol model and updating the model’s Graphical User Interface (GUI) to include the divergent nozzle geometry. This is expected to help stakeholders perform quick and easy first principles calculations without needing to understand the underlying MATLAB script.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

A Novel Dew Point Meter: Application to the Measurement of the Sulfuric Acid Dew Point for Combustion Flue Gas

Accurate knowledge of acid dew point is essential for industrial and applied combustion. Sulfur in the fuel or raw materials is converted to sulfur dioxide (SO2) during combustion, and a portion of the SO2 is oxidized to sulfur trioxide (SO3). The SO3 will react to form H2SO4 vapor when in the presence of water vapor. Even with just trace levels of H2SO4 vapor in the gas phase (1-10 ppm), the dew point can reach 100°C and higher. To avoid acid condensation and the resulting corrosion on heat recovery equipment, plant engineers must ensure that surface temperatures are above the acid dew point, but this decreases the efficiency of the thermal energy recovery. Thus, there is a trade-off between minimizing equipment corrosion and maximizing thermal energy recovery efficiency, and the acid dew point is a key parameter for this optimization. In this work, we analyze and discuss the theory of the sulfuric acid condensation process and develop a novel dew point meter based on this analysis. The meter consists of a novel optical instrument that is designed to monitor the slightest appearance of condensation on a hydrophobic window surface, and the surface temperature of the window is slowly decreased until condensation is first observed, yielding an accurate measurement of the dew point. The basis of the instrument is that a collimated beam from a diode laser generates scattered light when encountering surface condensate, and a sophisticated array detector is used to sensitively monitor the light scattering. The measurement procedures are established to rapidly find the acid dew point, while minimizing error. Further, we propose a calibration system based on a liquid bubbler, which can generate a stable gas flow with known sulfuric acid dew point, to test the dew point meter. Test results show that the dew point meter can accurately measure the acid dew point over a wide range.

Cheng, Mao↗
NASA NTRS1999

Ultrasound Thermal Field Imaging of Opaque Fluids

We have initiated an experimental program to develop an ultrasound system for non-intrusively imaging the thermal field in opaque fluids under an externally imposed temperature gradient. Many industrial processes involve opaque fluids, such as molten metals, semiconductors, and polymers, often in situations in which thermal gradients are important. For example, one may wish to understand semiconductor crystal growth dynamics in a Bridgman apparatus. Destructive testing of the crystal after the process is completed gives only indirect information about the fluid dynamics of the formation process. Knowledge of the coupled thermal and velocity fields during the growth process is then essential. Most techniques for non-intrusive velocity and temperature measurement in fluids are optical in nature, and hence the fluids studied must be transparent. In some cases (for example, LDV (laser Doppler velocimetry) and PIV (particle imaging velocimetry)) the velocities of small neutrally buoyant seed particles suspended in the fluid, are measured. Without particle seeding one can use the variation of the index of refraction of the fluid with temperature to visualize, through interferometric, Schlieren or shadowgraph techniques, the thermal field. The thermal field in turn gives a picture of the pattern existing in the fluid. If the object of study is opaque, non-optical techniques must be used. In this project we focus on the use of ultrasound, which propagates easily through opaque liquids and solids. To date ultrasound measurements have almost exclusively relied on the detection of sound scattered from density discontinuities inside the opaque material of interest. In most cases it has been used to visualize structural properties, but more recently the ultrasound Doppler velocimeter has become available. As in the optical case, it relies on seed particles that scatter Doppler shifted sound back to the detector. Doppler ultrasound techniques are, however, not useful for studying convective fluid flow in crystal growth, because particle seeding is unacceptable and flow velocities are typically too low to be resolved, and may be even lower in microgravity conditions where buoyancy forces are negligible. We will investigate a different use of ultrasound to probe the flows of opaque fluids non-intrusively and without the use of seed particles: our goal is to ultrasonically visualize the thermal field of opaque fluids with relatively high spatial resolution. The proposed technique relies upon the variation of sound speed with temperature of the fluid. A high frequency ultra-sound pulse passing through a fluid-filled chamber will traverse the chamber in a time determined by the relevant chamber dimension and the temperature of the fluid through which the pulse passes. With high time-resolution instrumentation that compares the excitation signal with the received pulse we can detect the influence of the fluid temperature on the pulse travel time. This is effectively an interferometric system, which in its optical form is an extremely sensitive approach to measuring thermal fields in fluids. Moreover, the temperature dependence of sound velocity in liquid metals is comparable to the temperature dependence of the speed of light required for accurate interferometric thermal images in transparent fluids. With an array of transducers scanned electronically a map of the thermal field over the chamber could be produced. An alternative approach would be to use the ultrasound analog of the shadowgraph technique. In the optical version, collimated light passes through the fluid, where it is focused or defocused locally by temperature field induced variations of the index of refraction. The resulting image reveals the thermal field through the spatial pattern of light intensity variations. By analogy, an ultrasound plane wave traversing an opaque fluid sample would be also locally focused or defocused depending on the speed of sound variations, giving rise to spatial variations in sound intensity that will reveal the thermal field pattern. These approaches could be applied to any situation in which temperature differences are expected to occur, and will rapidly provide information about the flow that simply cannot be obtained by any current intrusive or non-intrusive diagnostic technique. As materials processing in microgravity matures it will become increasingly important to have available simple and versatile diagnostic tools, such as we will develop, for studying the flows of opaque fluids under thermal forcing.

Andereck, C. David↗