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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Q2 Report for FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

This report describes the work and activities carried out towards the completion of each of the following milestones in FY25 Q2: 1. Demonstrate workflow for generating self-consistent CESOL plasma profiles + first wall and divertor loading prediction and generate the CAT plasma and neutron loading needed for further engineering analysis: $\circ$ Run CESOL with BOUT++/Hermes-3 and immersed boundary condition to directly map to wall: • Run BOUT++/Hermes-3 through the IPS workflow to find radial particle and energy diffusivities to match either the Eich or the physics-based scaling of the SOL heat flux width, and • Expand source of first wall heat flux to include charged particles, neutrals, and radiation from the core+edge. 2. Generate medium fidelity parametrized CAD: $\circ$ Develop the TRACER tool to read an existing CAD, regenerate the geometry based on vertex location and connectivity information, define vertex translation and parameters needed for scaling the CAD, and $\circ$ Utilize the FreeGS code to determine CAT PF coil placement, including minimizing the number of coils, coil current, and electromechanical stresses. 3. Utilize plasma loading for engineering analysis: $\circ$ Couple the plasma loading to input for OpenFOAM and demonstrate initial test of thermal analysis of CAT first wall loading with typical DCLL blanket component cooling boundary conditions. 4. Demonstrate nuclear analysis: $\circ$ Apply initial analysis of tritium transport in DCLL blanket by evaluating spatially resolved tritium generation rates, tritium diffusion and convection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Wavefront sensing, control, and pointing

A majority of future NASA astrophysics missions from orbiting interferometers to 16-m telescopes on the Moon have, as a common requirement, the need to bring light from a large entrance aperture to the focal plane in a way that preserves the spatial coherence properties of the starlight. Only by preserving the phase of the incoming wavefront, can many scientific observations be made, observations that range from measuring the red shift of quasi-stellar objects (QSO's) to detecting the IR emission of a planet in orbit around another star. New technologies for wavefront sensing, control, and pointing hold the key to advancing our observatories of the future from those already launched or currently under development. As the size of the optical system increases, either to increase the sensitivity or angular resolution of the instrument, traditional technologies for maintaining optical wavefront accuracy become prohibitively expensive or completely impractical. For space-based instruments, the low mass requirement and the large temperature excursions further challenge existing technologies. The Hubble Space Telescope (HST) is probably the last large space telescope to rely on passive means to keep its primary optics stable and the optical system aligned. One needs only look to the significant developments in wavefront sensing, control, and pointing that have occurred over the past several years to appreciate the potential of this technology for transforming the capability of future space observatories. Future developments in space-borne telescopes will be based in part on developments in ground-based systems. Telescopes with rigid primary mirrors much larger than 5 m in diameter are impractical because of gravity loading. New technologies are now being introduced, such as active optics, that address the scale problem and that allow very large telescopes to be built. One approach is a segmented design such as that being pioneered by the W.M. Keck telescope now under construction at the Mauna Kea Observatory. It consists of 36 hexagonal mirror segments, supported on a framework structure, which are positioned by actuators located between the structure and the mirrors. The figure of the telescope is initialized by making observations of a bright star using a Shack Hartmann sensor integrated with a white light interferometer. Then, using sensed data from the mirror edges to control these actuators, the figure of the mosaic of 36 segments is maintained as if it were a rigid primary mirror. Another active optics approach is the use of a thin meniscus mirror with actuators. This technique was demonstrated on the European Southern Observatory's New Technology Telescope (NTT) and is planned for use in the Very Large Telescope (consists of four 8-m apertures), which is now entering the design phase.

Pitts, Thomas↗
DOE OSTI2022

liionpack: A Python package for simulating packs of batteries with PyBaMM

Electrification of transport and other energy intensive activities is of growing importance as it provides an underpinning method to reduce carbon emissions. With an increase in reliance on renewable sources of energy and a reduction in the use of more predictable fossil fuels in both stationary and mobile applications, energy storage will play a pivotal role and batteries are currently the most widely adopted and versatile form. Therefore, understanding how batteries work, how they degrade, and how to optimize and manage their operation at large scales is critical to achieving emission reduction targets. The electric vehicle (EV) industry requires a considerable number of batteries even for a single vehicle, sometimes numbering in the thousands if smaller cells are used, and the dynamics and degradation of these systems, as well as large stationary power systems, is not that well understood. As increases in the efficiency of a single battery become diminishing for standard commercially available chemistries, gains made at the system level become more important and can potentially be realised more quickly compared with developing new chemistries. Mathematical models and simulations provide a way to address these challenging questions and can aid the engineer and designers of batteries and battery management systems to provide longer lasting and more efficient energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2021

LightMAT - Continuous fiber malleable thermoset composites with sub-1-minute dwell times; validation of impact performance and evaluation of the efficacy of the compression forming process (CRADA 409 Final Report)

In spite of carbon fiber composite materials’ significant impact on light-weighting, performance, and efficiency in the aerospace industry, adoption of these materials has been slow in high-volume industries such as automotive. Two major barriers to adoption are cost and cycle-time. Current approaches to thermoset composite part production are dependent on in-mold curing of thermosets which are not optimal for high volume, high throughput production due to limitations and inefficiencies associated with the in-mold cure itself. In addition, ancillary activities, such as transport and storage of shelf-life-limited uncured, or B-staged prepreg materials typically necessitate refrigerated transport and storage which significantly impacts the economic and energy costs associated with manufacturing. Furthermore, limited out-life means that trimmings cannot typically be used as they partially cure during initial production leading to high scrap rates (+20% is common). Finally, the need to cure in-mold drives cycle times to multiple minutes in the best cases, and 10’s of minutes to hours in most cases. Mallinda is developing polyimine malleable thermoset prepreg composite materials which have excellent mechanical properties (100 GPa tensile modulus, 2 GPA tensile strength, 2.4% elongation at break) and high operating temperatures (Tg>200°C). At scale, polyimine resins are commensurate in price with commodity epoxy resins. What distinguishes malleable thermoset prepreg from traditional thermoset prepreg materials, is that they are fully cured during Mallinda’s roll-to-roll production of prepreg laminate. This results in 5 key value-differentiating benefits. First, it simplifies manufacturing logistics by enabling ambient transportation and storage, and by significantly extending out-life and shelf-life almost indefinitely. Second, elimination of autoclave curing reduces the economic and energy costs to the customer. Third, scrap rates can be reduced as malleable thermoset prepreg materials are directly reusable. Fourth, the manufacturing consolidation step can be roughly 10x faster than traditional thermosets, because the resin is already cured. Parts can be made via compression forming by the application of heat and pressure to quickly vitrify and consolidate a multilayer part – easily leading to sub 3-minute cycle times (at lab scale we have demonstrated a 20 second dwell time, with room for further optimization). Finally, the closed-loop cradle-to-cradle solution-based recyclability of malleable thermoset composites can also contribute significantly to the future of sustainable lightweight materials. The focus of this project was the development, optimization and validation of malleable thermoset composite materials which exhibit manufacturing cycle times of 3-minute or less, high speed impact performance on par with incumbent technologies, and defect-free consolidation of 3 dimensional parts. Government funding is required on this project because Mallinda is a start-up company whose focus is the development and scale-up of the described technology for introduction to the transportation segment. Unlike incumbent industry players, Mallinda is bringing a completely new and highly relevant malleable thermoset technology to bear on the problem of high throughput composites. As a small business, Mallinda relies on a combination of government R&D funding and private capital to perform development work.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Null Space Monte Carlo Evaluation of the Plateau to River Model

The Plateau to River Groundwater Model (P2R Model) is a groundwater flow and contaminant fate and transport (F&T) simulation model used to support remedial activities conducted by CH2M HILL Plateau Remediation Company at the Hanford Site in Washington State. Figure 1-1 illustrates the P2R Model extents, discretization, and boundary conditions. The P2R Model provides a computational framework to simulate the F&T of contaminants in groundwater associated with the 200-PO-1, 200-UP-1, 200-BP-5, and 200-ZP-1 Groundwater Operable Units (OUs) in the Hanford Site Central Plateau. In addition, the model includes adjacent areas and facilities (e.g., the State Approved Land Disposal Site). Intended and anticipated uses of the model include calculating water levels, hydraulic gradients, and groundwater flows throughout the model domain (encompassing the 200 West and 200 East Areas) for use in subsequent F&T calculations for contaminants of concern and developing scale-appropriate, telescopic-mesh refinement models for detailed evaluation of areas within the model domain where required. The overall objective of the modeling effort is to provide a basis for making informed remedial action decisions based on descriptions of current and expected future contaminant concentrations in groundwater at decision points within the OU boundaries. The objective for the model development phase is to create a common modeling platform that can be used for investigations of the Central Plateau groundwater OUs and areas downgradient toward the Columbia River. The P2R Model calibration to historical data observed at the Hanford Site is documented in CP-57037, Model Package Report for the Plateau to River Model Version 8.3. The purpose of this environmental calculation is to describe a null space Monte Carlo (NSMC) evaluation was conducted with the historic calibration of the P2R model. Use of numerical groundwater models is always accompanied with uncertainty in the results produced by a model because models are approximations of reality. Thus, by definition, lack the detail to fully represent observed behavior. Use of numerical techniques, such as a NSMC analysis, can help in identifying and quantifying the potential uncertainties associated with a numerical model such as the P2R Model. Use of the NSMC approach results in 100 groundwater flow models that are variants of the calibrated P2R Model. These variant models can be used to evaluate uncertainty in model predictions made by the calibrated P2R Model for other analyses. A secondary purpose of the environmental calculation is to establish these variant models for use with other applications.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2019

Standards and Best Practices - Two NASA Examples

Formal international standards as well as promotion of community or recommended practices have their place in ensuring "FAIRness" of data. Data management in NASA's Earth Observation System Data and Information System (EOSDIS) has benefited from both of these avenues to a significant extent. The purpose of this paper is to present one example of each of these, which promote (re)usability. The first is an ISO standard for specifying preservation content from Earth observation missions. The work on this started in 2011, informally within the Earth Science Information Partners (ESIP) in the US, while the European Space Agency (ESA) was leading an effort on Long-Term Data Preservation (LTDP). Resulting from the ESIP discussions was NASA's Preservation Content Specification, which was applied in 2012 as a requirement for NASA's new missions. ESA's Preserved Data Set Content (PDSC) document was codified into a document adopted by the Committee on Earth Observation Satellites (CEOS). It was recognized that it would be useful to combine PCS and PDSC into an ISO standard to ensure consistency in data preservation on a broader international scale. This standard, numbered ISO 19165-2 has been under development since mid-2017. The second is an example of developing recommendations for "best practices" within more limited (still fairly broad) communities. A Data Product Developers' Guide (DPDG) is currently being developed by one of NASA's Earth Science Data System Working Groups (ESDSWGs). It is for use by developers of products to be derived from Earth observation data to improve product (re)usability. One of the challenges in developing the guide is the fact that there are already many applicable standards and guides. The relevant information needs to be selected and expressed in a succinct manner, with appropriate pointers to references. The DPDG aims to compile the most applicable parts of earlier guides into a single document outlining the typical development process for Earth Science data products. Standards and best practices formally endorsed by the Earth Science Data and Information System (ESDIS) Standards Office (ESO), outputs from ESDSWGs (e.g., Dataset Interoperability Working Group, and Data Quality Working Group), and recommendations from Distributed Active Archive Centers and data producers are emphasized.

Ramapriyan, Hampapuram↗
DOE OSTI2012

Design, Fabrication, and Testing of an Acid-Dissolution Front-End Process for Current Mo-99 Recovery Processes: Optimization for Full-Scale Demonstration in Hot-Cell Facility

The National Nuclear Security Administration’s Global Threat Reduction Initiative Conversion Program (GTRI) develops technology necessary for converting civilian nuclear facilities that use high enriched uranium (HEU) to low enriched uranium (LEU) fuels and targets. The conversion of conventional HEU targets to LEU for the production of Mo-99 for medical use requires approximately five times the amount of uranium per target to maintain current Mo-99 yields. Under GTRI, Argonne National Laboratory (Argonne) is developing two frontend options for the current Mo-99 recovery processes to allow the use of LEU-foil targets: (1) an ambient pressure, nitric acid dissolution process; and (2) an electrochemical, basic dissolution process. The goal in developing both frontend options is to produce a product that will be compatible with current purification operations and that will, with the same number of targets irradiated, provide the same or a higher yield of Mo-99 at the end of processing. This work was done under the Mo-99 International Production Support, FY 2012 work package: 21.2.94.2.6 LEU Target – Foreign Production Development, ANL Activity 1.

Jerden, James↗
DOE OSTI2011

DOE SciDAC's Earth System Grid Center for Enabling Technologies Final Report

The mission of the Earth System Grid Federation (ESGF) is to provide the worldwide climate-research community with access to the data, information, model codes, analysis tools, and intercomparison capabilities required to make sense of enormous climate data sets. Its specific goals are to (1) provide an easy-to-use and secure web-based data access environment for data sets; (2) add value to individual data sets by presenting them in the context of other data sets and tools for comparative analysis; (3) address the specific requirements of participating organizations with respect to bandwidth, access restrictions, and replication; (4) ensure that the data are readily accessible through the analysis and visualization tools used by the climate research community; and (5) transfer infrastructure advances to other domain areas. For the ESGF, the U.S. Department of Energy's (DOE's) Earth System Grid Center for Enabling Technologies (ESG-CET) team has led international development and delivered a production environment for managing and accessing ultra-scale climate data. This production environment includes multiple national and international climate projects (such as the Community Earth System Model and the Coupled Model Intercomparison Project), ocean model data (such as the Parallel Ocean Program), observation data (Atmospheric Radiation Measurement Best Estimate, Carbon Dioxide Information and Analysis Center, Atmospheric Infrared Sounder, etc.), and analysis and visualization tools, all serving a diverse user community. These data holdings and services are distributed across multiple ESG-CET sites (such as ANL, LANL, LBNL/NERSC, LLNL/PCMDI, NCAR, and ORNL) and at unfunded partner sites, such as the Australian National University National Computational Infrastructure, the British Atmospheric Data Centre, the National Oceanic and Atmospheric Administration Geophysical Fluid Dynamics Laboratory, the Max Planck Institute for Meteorology, the German Climate Computing Centre, the National Aeronautics and Space Administration Jet Propulsion Laboratory, and the National Oceanic and Atmospheric Administration. The ESGF software is distinguished from other collaborative knowledge systems in the climate community by its widespread adoption, federation capabilities, and broad developer base. It is the leading source for present climate data holdings, including the most important and largest data sets in the global-climate community, and - assuming its development continues - we expect it to be the leading source for future climate data holdings as well. Recently, ESG-CET extended its services beyond data-file access and delivery to include more detailed information products (scientific graphics, animations, etc.), secure binary data-access services (based upon the OPeNDAP protocol), and server-side analysis. The latter capabilities allow users to request data subsets transformed through commonly used analysis and intercomparison procedures. As we transition from development activities to production and operations, the ESG-CET team is tasked with making data available to all users seeking to understand, process, extract value from, visualize, and/or communicate it to others. This ongoing effort, though daunting in scope and complexity, will greatly magnify the value of numerical climate model outputs and climate observations for future national and international climate-assessment reports. The ESG-CET team also faces substantial technical challenges due to the rapidly increasing scale of climate simulation and observational data, which will grow, for example, from less than 50 terabytes for the last Intergovernmental Panel on Climate Change (IPCC) assessment to multiple Petabytes for the next IPCC assessment. In a world of exponential technological change and rapidly growing sophistication in climate data analysis, an infrastructure such as ESGF must constantly evolve if it is to remain relevant and useful. Regretfully, we submit our final report at the end of project funding. To continue to serve the climate-science community, we are currently seeking additional funding. Such funding would allow us to maintain and enhance ESGF production and operation of this vital endeavor of cataloging, serving, and analyzing ultra-scale climate science data. At this time, the entire ESG-CET team would like to take this opportunity to sincerely thank our funding agencies in the DOE Scientific Discovery through Advanced Computing (SciDAC) program and the Office of Biological and Environmental Research (OBER) - as well as our national and international collaborators, stakeholders, and partners - for allowing us to work with you and serve the community these past several years.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2016

Visible-Light-Responsive Photocatalysis: Ag-Doped TiO2 Catalyst Development and Reactor Design Testing

In recent years, the alteration of titanium dioxide to become visible-light-responsive (VLR) has been a major focus in the field of photocatalysis. Currently, bare titanium dioxide requires ultraviolet light for activation due to its band gap energy of 3.2 eV. Hg-vapor fluorescent light sources are used in photocatalytic oxidation (PCO) reactors to provide adequate levels of ultraviolet light for catalyst activation; these mercury-containing lamps, however, hinder the use of this PCO technology in a spaceflight environment due to concerns over crew Hg exposure. VLR-TiO2 would allow for use of ambient visible solar radiation or highly efficient visible wavelength LEDs, both of which would make PCO approaches more efficient, flexible, economical, and safe. Over the past three years, Kennedy Space Center has developed a VLR Ag-doped TiO2 catalyst with a band gap of 2.72 eV and promising photocatalytic activity. Catalyst immobilization techniques, including incorporation of the catalyst into a sorbent material, were examined. Extensive modeling of a reactor test bed mimicking air duct work with throughput similar to that seen on the International Space Station was completed to determine optimal reactor design. A bench-scale reactor with the novel catalyst and high-efficiency blue LEDs was challenged with several common volatile organic compounds (VOCs) found in ISS cabin air to evaluate the system's ability to perform high-throughput trace contaminant removal. The ultimate goal for this testing was to determine if the unit would be useful in pre-heat exchanger operations to lessen condensed VOCs in recovered water thus lowering the burden of VOC removal for water purification systems.

Photocatalysis↗
DOE OSTI2021

Establishing a Baseline for Global Geothermal Drilling Rates

Geothermal is a promising source of renewable energy with almost zero emissions. However, there remains untapped geothermal potential around the world. This is largely because geothermal projects have high development costs and high resource-value uncertainty, and returns on initial investments can be slow to materialize. Increasing drilling efficiency of geothermal wells is one way to decrease development costs, as drilling accounts for up to 50% of the upfront costs of a geothermal power project. Currently, little quantitative information exists about how fast geothermal drilling occurs on a global scale. This paper was originally intended to be an extension of Frone and Boyd's 2018 report on geothermal drilling rates in California and Nevada. Our project includes global data and considers additional measures, such as flat time. Data for the project was limited to published papers and drilling reports that are publicly available online. The goal of our project was to establish a baseline geothermal drilling rate that is representative of current global geothermal drilling practices can be used to gauge the impact of future improvements in geothermal drilling technology. We recorded the number of days from beginning to end of a project, the number of days spent drilling, and the number of days considered to be flat time. We found the average global rate at which a drilling project is completed (including non-drilling activities) to be 160 ft/day, and the average drilling rate (including only time during which active drilling occurred) to be 360 ft/day. Our data shows no clear trend in rate change from 2000 to 2017 and significant variability in drilling rates between countries and within countries.

baseline↗
DOE OSTI2016

OBSERVATIONAL SIGNATURES OF CORONAL LOOP HEATING AND COOLING DRIVEN BY FOOTPOINT SHUFFLING

The evolution of a coronal loop is studied by means of numerical simulations of the fully compressible three-dimensional magnetohydrodynamic equations using the HYPERION code. The footpoints of the loop magnetic field are advected by random motions. As a consequence, the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is nonuniformly distributed so that only a fraction of the coronal mass and volume gets heated at any time. Temperature and density are highly structured at scales that, in the solar corona, remain observationally unresolved: the plasma of our simulated loop is multithermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. Numerical simulations of coronal loops of 50,000 km length and axial magnetic field intensities ranging from 0.01 to 0.04 T are presented. To connect these simulations to observations, we use the computed number densities and temperatures to synthesize the intensities expected in emission lines typically observed with the Extreme Ultraviolet Imaging Spectrometer on Hinode. These intensities are used to compute differential emission measure distributions using the Monte Carlo Markov Chain code, which are very similar to those derived from observations of solar active regions. We conclude that coronal heating is found to be strongly intermittent in space and time, with only small portions of the coronal loop being heated: in fact, at any given time, most of the corona is cooling down.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2022

Reduced-Gravity Simulator for Field Environments - Drone Augmented System

Astronauts need to go through extensive training on Earth before heading into space, and the more accurate the analogue, the better prepared they will be. NASA currently trains astronauts in simulated lower gravity environments in either the Neutral Buoyancy Laboratory or the Active Response Gravity Offload System (ARGOS), but neither of these systems allow for testing outdoors in field environments. NASA, in partnership with Aquiline Drones, mechanical engineering, biomedical engineering, and the Krenicki Arts and Engineering Institute, are working to develop a gravity offload device compatible with testing in field environments such as Desert Research and Technology Studies (Desert RATS). This report covers the technical requirements of the gravity offload device, the design choices and justifications, options for scalability, current progress, and future goals. Two separate teams were formed to respond to NASA’s solicitation, and this report covers the work of the weather balloon and drone side of the project. Using a weather balloon to passively offload the user’s weight and a drone to actively respond to changes using a series of sensors, this system should create a consistent and well balanced offloading force. The weather balloon and drone system is connected to a harness system to comfortably lift the user, offload at their center of gravity, and provide attachment points for some of the necessary sensors. Final testing proved the comfort of the harness, mobility of the user, and passive stability of the balloon offload to exceed all expectations of the team. The current system is a scaled model of what NASA would be able to implement with a maximum offload of 25 pounds. The ability to scale up to NASA’s desired value of 100 pounds is easily achievable with linear scaling of the current model. All systems should work similarly on scaled versions, but minor tweaking and enhanced controls would be needed for optimal performance.

Jason Lee↗
DOE OSTI2022

Low Regeneration Temperature Sorbents for Direct Air Capture of CO 2

Susteon Inc., in partnership with University of Wyoming and SoCalGas, successfully met all major technical objectives to (1) scale up the ionic liquid catalyst for amine-based sorbents for improved desorption and absorption kinetics, (2) evaluate the catalyzed amine-based sorbents for direct CO 2 capture process to determine CO 2 adsorption and desorption rates and energy requirements, and (3) based on the experimental results, develop a conceptual process design to perform a preliminary economic assessment to evaluate the potential for DAC process cost reduction using the catalyzed sorbents. Amine doped solid sorbents are effective for DAC applications and can be regenerated by heat or by a combination of heat, steam, and vacuum. The best sorbent composition identified was polyethyleneimine (PEI) on fumed silica with 200 ppm ionic liquid catalyst. This sorbent formulation was shown to have a CO 2 breakthrough capacity twice that of the non-catalyzed sorbent, in laboratory tests with air at 75% relative humidity (RH). The CO 2 adsorption rate was also 40% higher than that of the non-catalyzed sorbent. This type of sorbents has the attributes required for lowering the overall cost of DAC with high CO 2 capacity and high rate of adsorption. The combination of an industrially utilized amine-based sorbent with a highly active catalyst to form a new class of materials for DAC provides a technically viable pathway for reducing the cost of DAC to <$100/tonne of CO 2 . Laboratory measurements show that the silica/PEI (polyethyleneimine) sorbents with 100 ppm of ionic liquid catalyst have almost 100% higher CO 2 cyclic capacity and 40% higher adsorption rate. Generally, CO 2 desorption occurred at higher temperatures with a rate of desorption 10 times faster than adsorption (which occurred at ambient conditions). Therefore, adsorption rate is a much more important factor in the cost of DAC because it is directly linked to the CAPEX of the total system and the cycle time (i.e., sorbent productivity in ton/day of CO 2 captured per unit volume of the air contactor). An initial process design, coupled with techno-economic analysis, based on optimal experimental results and preliminary resulting from structured sorbent testing, showed a path to lower the DAC cost from the current cost of over $200/tonne CO 2 to less than $100/tonne with a scale-up, mature state of the technology, with projected material and process improvements. These results demonstrate the effectiveness of the catalyst in silica/PEI sorbents in enhancing sorbents’ CO 2 working capacity, in (a) increasing the rate of adsorption and desorption, and (b) in lowering the CAPEX and OPEX of the DAC system employing the ionic liquid catalyzed sorbents.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2010

System Evaluation and Economic Analysis of a Nuclear Reactor Powered High-Temperature Electrolysis Hydrogen-Production Plant

A reference design for a commercial-scale high-temperature electrolysis (HTE) plant for hydrogen production was developed to provide a basis for comparing the HTE concept with other hydrogen production concepts. The reference plant design is driven by a high-temperature helium-cooled nuclear reactor coupled to a direct Brayton power cycle. The reference design reactor power is 600 MWt, with a primary system pressure of 7.0 MPa, and reactor inlet and outlet fluid temperatures of 540°C and 900°C, respectively. The electrolysis unit used to produce hydrogen includes 4,009,177 cells with a per-cell active area of 225 cm2. The optimized design for the reference hydrogen production plant operates at a system pressure of 5.0 MPa, and utilizes an air-sweep system to remove the excess oxygen that is evolved on the anode (oxygen) side of the electrolyzer. The inlet air for the air-sweep system is compressed to the system operating pressure of 5.0 MPa in a four-stage compressor with intercooling. The alternating current (AC) to direct current (DC) conversion efficiency is 96%. The overall system thermal-to-hydrogen production efficiency (based on the lower heating value of the produced hydrogen) is 47.1% at a hydrogen production rate of 2.356 kg/s. An economic analysis of this plant was performed using the standardized H2A Analysis Methodology developed by the Department of Energy (DOE) Hydrogen Program, and using realistic financial and cost estimating assumptions. The results of the economic analysis demonstrated that the HTE hydrogen production plant driven by a high-temperature helium-cooled nuclear power plant can deliver hydrogen at a competitive cost. A cost of $3.23/kg of hydrogen was calculated assuming an internal rate of return of 10%.

08 HYDROGEN↗
DOE OSTI2017

Development and Implementation of an Automatic Continuous Online Monitoring and Control Platform for Polymerization Reactions to Sharply Boost Energy and Resource Efficiency in Polymer Manufacturing

The project goal was to create an energy saving paradigm shift in how polymers are manufactured in the 21st century. It used Automatic Continuous Online Monitoring of Polymerization reactions (ACOMP) integrated for the first time with automatic active control to create the innovative ‘ACOMP/Control Interface’, or ‘ACOMP/CI’. ACOMP/CI will begin the transformation from old, inefficient processes into highly evolved, energy and resource efficient ones. The ACOMP platform is broadly applicable to many types of reactions and processes throughout the vast polymer industry. The industry provides materials for sectors such as automotive, aerospace, oil recovery, agriculture, paints, resins, adhesives, pharmaceuticals and therapeutic proteins, optics, electronics, lightweight building materials, and many more. The U.S. chemical industry is one of the last major sectors in which the U.S. has top global stature. It consumes 24% of all U.S. manufacturing energy, produces over $800B of product annually, supports 25% of the U.S. GDP and employs over 6 million people. It is also a major source of GHG emissions. Polymers make up approximately 30% of this sector. It is estimated that annually 60 TBtu of energy could be saved and 3 million tons less of GHG emissions produced by optimizing production in the polyolefin manufacturing sector alone. The project scope included first time design and prototyping of an ACOMP/CI, creation of active reaction controllers, and demonstration of control capabilities on ideal, low concentration polymerization reactions. All these elements of the scope were met, including advances and findings not originally anticipated. Extensions to more complex reactions, beyond the reactor capabilities of the current project ACOMP/CI, such as polyolefins and other high pressure/high temperature reactions, are being proposed in Fall 2017 to CESMII, a DoE based NNMI. The initial proposal was for a three year funded project, but this was reduced to a two year project and budget due to funding constraints. Hence, some of the original plans, such as adaptation of the ACOMP/CI to more relevant industrial processes, such as emulsion and dispersion technologies, could not be carried out. A third year of funding was requested at the end of the project, but DoE did not have resources to grant this. The sub-contractor Fluence Analytics (previously Advanced Polymer Monitoring Technologies, Inc) designed, prototyped, and commissioned a working ACOMP/CI by June 2015. The reaction characteristics to be automatically controlled were i) conversion kinetics, ii) molecular weight, iii) copolymer composition, and iv) simultaneous molecular weight and composition. A two pronged control strategy was used. The Tulane/Fluence group took a basic principles approach that did not rely on kinetic models. The LSU group took a more complex, non-linear model-oriented approach involving complete kinetic descriptions of the reaction system Each of these approaches proved successful in their own way. By April 2016 fully automatic control of conversion and weight average molecular weight, Mw, trajectories was achieved using the Tulane/Fluence (TF) basic principles controller. Similar results were obtained by the LSU non-linear model controller by August 2016. The demonstration system was aqueous free radical polymerization of acrylamide, Am. The control variables were temperature and semi-batch feed to the reactor of Am monomer and initiator. A demonstration of active manual conversion control in an industrial process using high solids in inverse emulsion polymerization of Am was achieved. During Summer 2016 the TF controller was used in conjunction with a chain transfer agent, another control variable, to automatically produce multi-modal molecular weight distributions, MWD, in a single reactor. Industrially, multi-modal MWD are produced by mixing products made in separate reactors, requiring significant extra time, energy, and reactor resources. Recognizing the industrial potential a patent on automatic production of multi-modal polymers was filed, and DoE acknowledged. In Fall 2016 the TF team developed a basic principles controller for copolymer composition and demonstrated it on aqueous free radical copolymerization of comonomers Am and styrene sulfonate, SS. TF then fused the Mw and composition controllers to achieve simultaneous control of both Mw and copolymer composition trajectories. Numerous simultaneous trajectories were demonstrated, including a trimodal composition distribution with constant Mw. Meanwhile, the LSU group developed a Kalman filter to improve the results of their automatic Mw and conversion controller and successful tests were made. During the project the TF team developed a means of computing full MWD during polymer synthesis without need for any chromatographic separation, based on model distributions. This means the polymer product is ‘born characterized’ and this can eliminate post-manufacture analytical laboratory quality control. TF filed a joint patent application on this new approach to chromatography-free determination of MWD with acknowledgment to DoE. The Tulane group obtained a 60MHz NMR during the project and recently completed the first work on separating three comonomers, Am, SS, and Na-acrylate, with a first demonstration of terpolymer composition control with the TF basic principles controller. Widespread dissemination of ACOMP/CI in the polymer manufacturing sector will bolster DoE goals of energy efficiency and reduced GHG emissions: The ability to monitor and actively control polymerization reactions will lead to more efficient use of energy and non-renewable resources, plant and labor time, increase the safety of manufacturing personnel, and will enhance product quality and lead to feasibility of manufacturing of polymers currently too complex for industrial scale production, while leading to less GHG emissions per kilo of product, and allowing for increased U.S. competitiveness in this enormous manufacturing sector. When ACOMP/CI is expanded to the polyolefin industry it is estimated that 60 TeraBTU/year of energy can be saved. Much of this saving is anticipated to come from optimized control of grade changeovers in steady state reactors and maintenance of steady states. Conclusions: ACOMP’s ability to provide continuous realtime data streams of measured polymer and reaction characteristics made it possible, for the first time, to directly and automatically control free radical polymerization reactions. An industrial client of Fluence Analytics has requisitioned the first ACOMP/CI which uses the TF basic principles controller. This sets the stage for FA to add control features to the ACOMP systems it has begun to install on the industrial scale beginning in 2014. Recommendations: This successful project was mainly limited to ideal polymerizations not of an industrial sort. The most energy intensive portion of polymer manufacturing is polyolefins. Adoption of ACOMP/CI to this enormous industrial sector faces the enormous challenges of high temperature, high pressure continuous sampling and high temperature sensor operation to obtain the continuous data needed for direct reaction control. The project team has a strategy for achieving this ambitious goal and will present it in Fall 2017 as a proposal to CESMII/DoE. It is recommended that this upcoming proposal be funded in order to make full use of the achievements of this just ended DoE project as the next step towards making polyolefin ACOMP/CI an energy saving reality. It is projected that ACOMP/CI can have its first polyolefin testbed demonstrations within two years of beginning the proposed project.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Fission Product Volatility and Off-Gas Systems for Molten Salt Reactors

The overall objective of the Department of Energy investigation into off-gas technology for molten salt reactors (MSR)s is to develop a list of functional requirements for an effective and reliable system. In collaboration with other elements of the Advanced Reactor Campaign ( denoted in italics ), the off-gas work package will address the following questions: 1. What is the composition of the gas stream going to the off-gas system ( chemistry and source term work package )? 2. What is the function of each off-gas treatment component, and how do they work? How efficient are they at removing or delaying fission and activation products? 3. What are the maintenance requirements of the off-gas system? 4. Is the system able to effectively detect and respond to off-normal events ( off-gas, source term, and simulation work packages )? 5. What measurement capabilities are possible now? What are the gaps? The objective of the off-gas project in fiscal year 2019 was to address the second, fourth, and fifth questions above. Thus, project has proceeded along two fronts: one focused on scrubber development at Oak Ridge National Laboratory and the other focused on spectroscopic detection of simulant fission product iodine at Pacific Northwest National Laboratory. A molten hydroxide scrubber was proposed for removal of both acidic gases, entrained mists, and particulates from a sparged molten salt off-gas. Hydroxide solutions are well known for their scrubbing ability and have been used in the off-gas systems of salt processing facilities. For the current project, a NaOH–KOH eutectic is being evaluated as a gettering medium. A laboratory-scale prototype glass scrubber was designed and built for the removal of aerosol simulants. The glass allows visualization of the scrubber operation, which is important for designing the stainless-steel housing for the NaOH–KOH eutectic. In parallel, Pacific Northwest National Laboratory has been developing optical sensors for detecting fission products and aerosol or mist species that could be entrained in the off-gas flow of an MSR. Efforts include Raman spectroscopy to identify and quantify iodine species such as I2 and ICl and laser-induced breakdown spectroscopy and laser-induced fluorescence for mists. Next year, these optical methods will be added to the hydroxide scrubber instrumentation to determine its effectiveness against airborne vapors and mists of concern.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2021

Reviews and syntheses: Arctic fire regimes and emissions in the 21st century

In recent years, the pan-Arctic region has experienced increasingly extreme fire seasons. Fires in the northern high latitudes are driven by current and future climate change, lightning, fuel conditions, and human activity. In this context, conceptualizing and parameterizing current and future Arctic fire regimes will be important for fire and land management as well as understanding current and predicting future fire emissions. The objectives of this review were driven by policy questions identified by the Arctic Monitoring and Assessment Programme (AMAP) Working Group and posed to its Expert Group on Short-Lived Climate Forcers. This review synthesizes current understanding of the changing Arctic and boreal fire regimes, particularly as fire activity and its response to future climate change in the pan-Arctic have consequences for Arctic Council states aiming to mitigate and adapt to climate change in the north. The conclusions from our synthesis are the following. (1) Current and future Arctic fires, and the adjacent boreal region, are driven by natural (i.e. lightning) and human-caused ignition sources, including fires caused by timber and energy extraction, prescribed burning for landscape management, and tourism activities. Little is published in the scientific literature about cultural burning by Indigenous populations across the pan-Arctic, and questions remain on the source of ignitions above 70_ N in Arctic Russia. (2) Climate change is expected to make Arctic fires more likely by increasing the likelihood of extreme fire weather, increased lightning activity, and drier vegetative and ground fuel conditions. (3) To some extent, shifting agricultural land use and forest transitions from forest–steppe to steppe, tundra to taiga, and coniferous to deciduous in a warmer climate may increase and decrease open biomass burning, depending on land use in addition to climate-driven biome shifts. However, at the country and landscape scales, these relationships are not well established. (4) Current black carbon and PM2:5 emissions from wildfires above 50 and 65_ N are larger than emissions from heanthropogenic sectors of residential combustion, transportation, and flaring. Wildfire emissions have increased from 2010 to 2020, particularly above 60_ N, with 56% of black carbon emissions above 65_ N in 2020 attributed to open biomass burning – indicating how extreme the 2020 wildfire season was and how severe future Arctic wildfire seasons can potentially be. (5) What works in the boreal zones to prevent and fight wildfires may not work in the Arctic. Fire management will need to adapt to a changing climate, economic development, the Indigenous and local communities, and fragile northern ecosystems, including permafrost and peatlands. (6) Factors contributing to the uncertainty of predicting and quantifying future Arctic fire regimes include underestimation of Arctic fires by satellite systems, lack of agreement between Earth observations and official statistics, and still needed refinements of location, conditions, and previous fire return intervals on peat and permafrost landscapes. This review highlights that much research is needed in order to understand the local and regional impacts of the changing Arctic fire regime on emissions and the global climate, ecosystems, and pan-Arctic communities.

Arctic↗
DOE OSTI2013

Hanford Tank Waste Treatment and Immobilization Plant (WTP) Waste Feed Qualification Program Development Approach - 13114

The Hanford Tank Waste Treatment and Immobilization Plant (WTP) is a nuclear waste treatment facility being designed and constructed for the U.S. Department of Energy by Bechtel National, Inc. and subcontractor URS Corporation (under contract DE-AC27-01RV14136 [1]) to process and vitrify radioactive waste that is currently stored in underground tanks at the Hanford Site. A wide range of planning is in progress to prepare for safe start-up, commissioning, and operation. The waste feed qualification program is being developed to protect the WTP design, safety basis, and technical basis by assuring acceptance requirements can be met before the transfer of waste. The WTP Project has partnered with Savannah River National Laboratory to develop the waste feed qualification program. The results of waste feed qualification activities will be implemented using a batch processing methodology, and will establish an acceptable range of operator controllable parameters needed to treat the staged waste. Waste feed qualification program development is being implemented in three separate phases. Phase 1 required identification of analytical methods and gaps. This activity has been completed, and provides the foundation for a technically defensible approach for waste feed qualification. Phase 2 of the program development is in progress. The activities in this phase include the closure of analytical methodology gaps identified during Phase 1, design and fabrication of laboratory-scale test apparatus, and determination of the waste feed qualification sample volume. Phase 3 will demonstrate waste feed qualification testing in support of Cold Commissioning. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗