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DOE OSTI2025

Control simulations of many-body quantum systems by a synergism of discrete real-time learning and optimal control theory

We present a self-consistent algorithm for optimal control simulations of many-body quantum systems. The algorithm features a two-step synergism that combines discrete real-time machine learning (DRTL) with Quantum Optimal Control Theory (QOCT) using the time-dependent Schrödinger equation. Specifically, in step (1), DRTL is employed to identify a compact working space (i.e., the important portion of the Hilbert space) for the time evolution of the many-body quantum system in the presence of a control field (i.e., the initial or previously updated field), and in step (2), QOCT utilizes the DRTL-determined working space to find a newly updated control field for a chosen objective. Steps 1 and 2 are iterated until a self-consistent control objective value is reached such that the resulting optimal control field yields the same targeted objective value when the corresponding working space is systematically enlarged. Furthermore, to demonstrate this two-step self-consistent DRTL-QOCT synergistic algorithm, we perform optimal control simulations of strongly interacting 1D as well as 2D Heisenberg spin systems. In both scenarios, only a single spin (at the left end site for 1D and the upper left corner site for 2D) is driven by the time-dependent control fields to create an excitation at the opposite site as the target. It is found that, starting from all spin-down zero excitation states, the synergistic method is able to identify working spaces and convergence of the desired controlled dynamics with just a few iterations of the overall algorithm. In the cases studied, the dimensionality of the working space scales only quasi-linearly with the number of spins.

Artificial neural networks↗

DOE OSTI2024

Differentiable Simulation of a Liquid Argon Time Projection Chamber

Liquid argon time projection chambers (LArTPCs) are widely used in particle detection for their tracking and calorimetric capabilities. The particle physics community actively builds and improves high-quality simulators for such detectors in order to develop physics analyses in a realistic setting. The ability of these simulators to mimic real, measured data is limited by the modeling of the physical detectors used for data collection. This modeling can be improved by performing dedicated calibration measurements. Conventional approaches calibrate individual detector parameters or processes one at a time. However, the impact of detector processes is entangled, making this a poor description of the underlying physics. We introduce a differentiable simulator that enables a gradient-based optimization, allowing for the first time a simultaneous calibration of all detector parameters. We describe the procedure of making a differentiable simulator, highlighting the challenges of retaining the physics quality of the standard, non-differentiable version while providing meaningful gradient information. We further discuss the advantages and drawbacks of using our differentiable simulator for calibration. Finally, we provide a starting point for extensions to our approach, including applications of the differentiable simulator to physics analysis pipelines.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1978

Engineering model 8-cm thruster subsystem

An Engineering Model (EM) 8 cm Ion Thruster Propulsion Subsystem was developed for operation at a thrust level 5 mN (1.1 mlb) at a specific impulse 1 sub sp = 2667 sec with a total system input power P sub in = 165 W. The system dry mass is 15 kg with a mercury-propellant-reservoir capacity of 8.75 kg permitting uninterrupted operation for about 12,500 hr. The subsystem can be started from a dormant condition in a time less than or equal to 15 min. The thruster has a design lifetime of 20,000 hr with 10,000 startup cycles. A gimbal unit is included to provide a thrust vector deflection capability of + or - 10 degrees in any direction from the zero position. The EM subsystem development program included thruster optimization, power-supply circuit optimization and flight packaging, subsystem integration, and subsystem acceptance testing including a cyclic test of the total propulsion package.

Herron, B. G.↗

NASA NTRS1986

Motion of a drag-free experiment on the Space Station

This paper describes the analysis and results of a study concerning the motion of a particle in a 'drag-free experiment' (zero-gravity) performed on the Space Station. Two cases were considered: (1) motion of a particle with an at rest initial condition and (2) motion of a particle with an initial velocity. In particular, this study examined the possibility of optimal solutions in terms of displacement from the initial location relative to the station center of gravity point. These solutions were of special interest since the experiment is to be performed in a constrained volume. The results of this study indicate that the total displacement may be made smaller if the particle has an initial velocity than if the particle starts from at rest initial conditions.

German, D. J.↗

NASA NTRS1992

The application of artificial intelligence to astronomical scheduling problems

Efficient utilization of expensive space- and ground-based observatories is an important goal for the astronomical community; the cost of modern observing facilities is enormous, and the available observing time is much less than the demand from astronomers around the world. The complexity and variety of scheduling constraints and goals has led several groups to investigate how artificial intelligence (AI) techniques might help solve these kinds of problems. The earliest and most successful of these projects was started at Space Telescope Science Institute in 1987 and has led to the development of the Spike scheduling system to support the scheduling of Hubble Space Telescope (HST). The aim of Spike at STScI is to allocate observations to timescales of days to a week observing all scheduling constraints and maximizing preferences that help ensure that observations are made at optimal times. Spike has been in use operationally for HST since shortly after the observatory was launched in Apr. 1990. Although developed specifically for HST scheduling, Spike was carefully designed to provide a general framework for similar (activity-based) scheduling problems. In particular, the tasks to be scheduled are defined in the system in general terms, and no assumptions about the scheduling timescale are built in. The mechanisms for describing, combining, and propagating temporal and other constraints and preferences are quite general. The success of this approach has been demonstrated by the application of Spike to the scheduling of other satellite observatories: changes to the system are required only in the specific constraints that apply, and not in the framework itself. In particular, the Spike framework is sufficiently flexible to handle both long-term and short-term scheduling, on timescales of years down to minutes or less. This talk will discuss recent progress made in scheduling search techniques, the lessons learned from early HST operations, the application of Spike to other problem domains, and plans for the future evolution of the system.

Johnston, Mark D.↗

NASA NTRS2016

Cislunar Near Rectilinear Halo Orbit for Human Space Exploration

In order to conduct sustained human exploration beyond Low Earth Orbit (LEO), spacecraft systems are designed to operate in a series of missions of increasing complexity. Regardless of the destination, Moon, Mars, asteroids or beyond, there is a substantial set of common objectives that must be met. Many orbit characterization studies have endeavored to evaluate the potential locations in cislunar space that are favorable for meeting common human exploration objectives in a stepwise approach. Multiple studies, by both NASA and other international space agencies, have indicated that Earth-‐moon libration point orbits are attractive candidates for staging operations in the proving ground and beyond. In particular, the Near Rectilinear Orbit (NRO) has been demonstrated to meet multi-‐mission and multi-‐destination architectural constraints. However, a human mission to a selected NRO presents a variety of new challenges for mission planning. While a growing number of robotic missions have completed successful operations to various specific libration point orbits, human missions have never been conducted to orbits of this class. Human missions have unique challenges that differ significantly from robotic missions, including a lower tolerance for mission risk and additional operational constraints that are associated only with human spacecraft. In addition, neither robotic nor human missions have been operated in the NRO regime specifically, and NROs exhibit dynamical characteristics that can differ significantly as compared to other halo orbits. Finally, multi-‐body orbits, such as libration point orbits, are identified to exist in a simplified orbit model known as the Circular Restricted Three Body Problem (CRTBP) and must then be re-‐solved in the full ephemeris model. As a result, the behavior of multi-‐body orbits cannot be effectively characterized within the classical two-‐body orbit dynamics framework more familiar to the human spaceflight community. In fact, a given NRO is not identified by a set of Keplerian orbit parameters, and a valid epoch specific state vector must be first obtained from a multi-body dynamical model. In this paper, the significant performance and operational challenges of conducting human missions to the NRO are evaluated. First, a systematic process for generating full ephemeris based ballistic NROs of various families is outlined to demonstrate the relative ease in which a multi-‐revolution orbit can be found for any epoch and for various orbit geometries. In the Earth-‐Moon system, NROs, which are halo orbits with close passage over a lunar pole, can exist with respect to libration point 1 (L1) or libration point 2 (L2) and are either from a North or South family orbit class with respect to the ecliptic. Second, the ability to maintain the orbit over the lifetime of a habitat mission by applying a reliable station-keeping strategy is investigated. The NRO, while similar to the quasi-‐halo orbits that the Artemis mission flew, requires an updated station keeping strategy. This is due to several dynamical differences such as the increased relative stability of the NRO compared to other halo orbits and the close passage over the lunar surface as shown in Figure 1. Multiple station-keeping strategies are being investigated to ensure a human spacecraft remains on a predictable path. As the NRO is not described in simple two-‐body parameters, analysis must determine the best strategy for targeting a reference NRO as well as how closely a future state should be constrained. In addition, costs will be minimized by determining maneuver directionality based on an identified pattern in the optimal station-keeping solutions or an analytically derived relationship. The candidate station-keeping algorithm must be stable and robust to environmental and vehicle uncertainties as well to navigation estimation and flight control execution errors. To that end, navigation accuracies, the impact on the station-keeping execution errors as well as other vehicle uncertainties need to be assessed. Starting with Orion, current navigation accuracies are evaluated and then navigation requirements are derived assuming a desired station-keeping propellant budget. Third, the performance requirements to and from the NRO are evaluated. Important parameters for developing expected propellant costs include epoch of operation, size and type of NRO, Earth departure and return constraints, as well as abort or early-‐return capability. Finally, rendezvous and proximity operations are vital aspects of multi-‐mission human exploration endeavors. The ability to conduct rendezvous and the associated propellant costs are assessed as well as the impacts of various profile assumptions including the location within the NRO the rendezvous is performed. The results of these studies will influence plans for international cooperation on both nearer term proving ground missions and beyond.

Whitley, Ryan↗

DOE OSTI2025

CRCNS22 Learning Rules in the Hippocampus and their Mapping to Neuromorphic Systems (Final Technical Report)

Large scale biologically-realistic computational models are key to investigating the interplay between structure and function in nervous systems, thus paving the way to new clinical methods and neuro-inspired computing solutions. This project focuses on the hippocampus, in particular the CA3-CA1 regions, due to their role in associative learning and memory, pattern separation and completion, and spatial navigation. Investigations into the neuronal organization and learning rule(s) of this circuit can shed light into how declarative memories are formed, stored, recalled and forgotten and inform computational, experimental and clinical neuroscience work. Our project aims at developing a novel data-driven methodology supported by a broad heterogeneous base of neuroscience experimental knowledge and inspired from advances in computer science and engineering. Specifically, this work will benchmark existing and new learning rules within a full-scale spiking neural network simulation of the CA3-CA1 region. The model will be based on an open-source repository, called the Hippocampome, which contains neuronal morphologies, firing patterns, synapse probabilities, and most other required parameters for all known neuron types in the rodent hippocampal formation. The model will be first trained in a supervised fashion for associative memory tasks using backpropagation through time traditionally used in computer science, enhanced with a new technique called the surrogate gradient method. This optimization method will be used to obtain a global loss minimization, but it is not biologically inspired as it assumes the use of data not locally available to the synapses. However, we propose its use as a benchmarking tool, to compare the training performance of local biologically plausible and hardware-mappable learning rules at scale. New rules or combinations will be proposed and tested as needed, based on the obtained results. Progress in this area will also drive the development of novel hardware-mappable algorithms for continual lifelong learning and categorization of new events from few presented examples. This project goes beyond the existing state-of-the-art by looking at large scale realistic neuronal circuits as networks trainable via global optimization methods such as surrogate gradient descent. The objective function of the brain that supports learning is largely unknown, but it is likely that it operates through local learning rules. Studying network trajectories around local minima as proposed in this work represents a useful strategy for understanding whether a network is training by using a specific (set of) learning rule(s). Starting from a completely untrained network is a challenging test since it is difficult to determine how the learning rule affects the trajectory of the network. This interdisciplinary project will help understand what rule governs learning in these regions or if multiple learning rules are involved. The work will develop a robust methodology to measure if the network is converging to the target solution, oscillating around it, or diverging away.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1991

On the theory of the synthesis of offset dual-shaped reflectors - Case examples

In an earlier paper by Galindo-Israel et al. (1987), the geometrical optics (GO) principles, constraints, and requirements of the dual- and single-offset-shaped reflector synthesis problem were collected and developed into a set of nonlinear first-order PDEs. An extension of the methods by which solutions to the PDEs can be obtained is presented, together with several case examples. These examples are independently analyzed by GO and physical optics diffraction methods. The starting point for the integration over each reflector can be taken on the outer rim, at the center, or at an intermediate point-the intermediate starting point being the more general case. The utility of the speed of this synthesis method is demonstrated. For example, the program utilized completes a synthesis in less than 45 s on a 386/20 personal computer and within a fraction of a second on a mainframe Cray. This makes practical the incorporation of the synthesis into a search algorithm that can optimize one or more parameters of the reflector system. As an example, the optimization of the mapping equations for low cross polarization is discussed.

Galindo-Israel, Victor↗

NASA NTRS2002

Far Ultraviolet Astronomy

The Far Ultraviolet Spectroscopic Explorer (FUSE) is studying a wide range of astronomical problems in the 905-1187 Angstrom wavelength region through the use of high resolution spectroscopy. The FUSE bandpass forms a nearly optimal complement to the spectral coverage provided by the Hubble Space Telescope (HST), which extends down to approximately 1170 Angstroms. The photoionization threshold of atomic hydrogen (911 Angstroms) sets a natural short-wavelength limit for the FUV. FUSE was launched in June 1999 from Cape Canaveral, Florida, on a Delta II rocket into a 768 km circular orbit. Scientific observations started later that year. This spectral region is extremely rich in spectral diagnostics of astrophysical gases over a wide range of temperatures (100 K to over 10 million K). Important strong spectral lines in this wavelength range include those of neutral hydrogen, deuterium, nitrogen, oxygen, and argon (H I, D I, N I, O I, and Ar I), molecular hydrogen (H2), five-times ionized oxygen (O VI), and several ionization states of sulfur (S III - S VI). These elements are essential for understanding the origin and evolution of the chemical elements, the formation of stars and our Solar System, and the structure of galaxies, including our Milky Way. FUSE is one of NASA's Explorer missions and a cooperative project of NASA and the space agencies of Canada and France. These missions are smaller, more scientifically focused missions than the larger observatories, like Hubble and Chandra. FUSE was designed, built and operated for NASA by the Department of Physics and Astronomy at Johns Hopkins University. Hundreds of astronomers world-wide are using FUSE for a wide range of scientific research. Some of the important scientific discoveries from the first two years of the mission are described.

Sonneborn, George↗

NASA NTRS2007

Design and Fabrication Highlights Enabling a 2 mm, 128 Element Bolometer Array for GISMO

The Backshort-Under-Grid (BUG) superconducting bolometer array architecture is intended to be highly versatile, operating in a large range of wavelengths and background conditions. We have undertaken a three-year program to develop key technologies and processes required to build kilopixel arrays. To validate the basic array design and to demonstrate its applicability for future kilopixel arrays, we have chosen to demonstrate a 128 element bolometer array optimized for 2 mm wavelength using a newly built Goddard instrument, GISMO (Goddard /RAM Superconducting 2-millimeter Observer). The arrays are fabricated using batch wafer processing developed and optimized for high pixel yield, low noise, and high uniformity. The molybdenum-gold superconducting transition edge sensors are fabricated using batch sputter deposition and are patterned using dry etch techniques developed at Goddard. With a detector pitch of 2 mm 8x16 array for GISMO occupies nearly one half of the processing area of a 100 mm silicon-on-insulator starting wafer. Two such arrays are produced from a single wafer along with witness samples for process characterization. To provide thermal isolation for the detector elements, at the end of the process over 90% of the silicon must be removed using deep reactive ion etching techniques. The electrical connections for each bolometer element are patterned on the top edge of the square grid supporting the array. The design considerations unique to GISMO, key fabrication challenges, and laboratory experimental results will be presented.

Allen, Christine↗

DOE OSTI2023

Up up down down left right left right B A Start for the catalytic hackers of programmable materials

Catalysts have advanced over the last century to accelerate and control reactions based on static active sites. More effective catalysis can be achieved using catalysts that change with time over the course of a reaction, providing a dynamic free energy landscape that is tailored to each step in the reaction sequence. Here, the catalyst is modulated via an input program that directs the surface to change physically or electronically with time, providing information regarding the extent and duration of change optimized for specific combinations of chemistry and programmable catalyst surfaces. While in its infancy, programmable catalysis is advancing with parallel efforts to establish fundamental principles of dynamic catalysts, design of programmable materials, and strategies to design input programs that will control catalysis for faster and more selective reactions.

catalyst↗

DOE OSTI2022

Integration of Superconducting Magnetic Energy Storage (SMES) Systems Optimized with Second-Generation, High-Temperature Superconducting (2G-HTS) Technology with a Major Fossil-Fueled Asset

Utility companies and fossil fueled generation assets are seeking combinations of “hybrid energy storage” to allow power to be provided in advance of, and to otherwise complement, peaking natural gas-fired generation. American Maglev Technology of Florida Inc. (AMT) learned during the Phase I program based on interactions with NRG Energy (NRG) that energy storage such as superconducting magnetic energy storage (SMES) can qualify as a Black Start unit in most markets, ensuring orderly re-start of grid operations and fossil fueled power plants and serving as an important asset of hybrid energy storage technology. In conjunction with the University of Houston (UH), AMT and NRG are working together to scale up low-cost, high- efficiency, second-generation high-temperature superconducting (2G-HTS) technology for deployment across several markets, with a primary focus on the commercial development of utility grid-scale SMES (g-SMES) systems. Ultimately the program confirmed that the novel g-SMES design can meet the performance and financial requirements of the fossil power plant industry, while exhibiting continuous grid-voltage regulation; cost-effective, peak-hour energy storage with almost infinite life; increased input/output efficiency; and the capability to undergo millions of charging cycles, without degradation, representing a significant improvement over lithium ion and other conventional storage technologies. We believe wide scale deployment of this technology is feasible and practical when compared to the higher life cycle cost and relatively short lifespan of chemical batteries. Based on these findings, the future for deployment of SMES at many fossil-fueled power plants exceeding 100MW capability is bright. Further de-risking g-SMES technology would pave the way for the construction of a subscale prototype. Eventually, scaled-down versions of SMES are expected to be competitive with the multi-billion-dollar lithium-ion market for a wide range of commercial, industrial, and transportation uses. There is long-term potential for commercialization and widespread deployment of this disruptive technology, which would spawn a new worldwide supply chain and create domestic, high-tech manufacturing jobs in the green industry.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

ARPA-E Grid Optimization (GO) Competition Challenge 1

The ARPA-E Grid Optimization (GO) Competition Challenge 1, from 2018 to 2019, focused on the basic Security Constrained AC Optimal Power Flow problem (SCOPF) for a single time period. The Challenge utilized sets of unique datasets generated by the ARPA-E GRID DATA program. Each dataset consisted of a collection of power system network models of different sizes with associated operating scenarios (snapshots in time defining instantaneous power demand, renewable generation, generator and line availability, etc.). The datasets were of two types: Real-Time, which included starting-point information, and Online, which did not. Week-Ahead data is also provided for some cases but was not used in the Competition. Although most datasets were synthetic and generated by GRIDDATA, a few came from industry and were only used in the Final Event. All synthetic Input Data and Team Results for the GO Competition Challenge 1 for the Sandbox, Trial Events 1 to 3, and the Final Event along with problem, format, scoring and rules descriptions are available here. Data for industry scenarios will not be made public. Challenge 1, a minimization problem, required two computational steps. Solver 1 or Code 1 solved the base SCOPF problem under a strict wall clock time limit, as would be the case in industry, and reported the base case operating point as output, which was used to compute the Objective Function value that was used as the scenario score. The feasibility of the solution was provided by the Solver 2 or Code 2, which solves the power flow problem for all contingencies based on the results from Solver 1. This is not normally done in industry, so the time limits were relaxed. In fact, there were no time limits for Trial Event 1. This proved to be a mistake, with some codes running for more than 90 hours, and a time limit of 2 seconds per contingency was imposed for all other events. Entrants were free to use their own Solver 2 or use an open-source version provided by the Competition. Containers, such as Docker, were considered to improve the portability of codes, but none that could reliably support a multi-node parallel computing environment, e.g., MPI, could be found. For more information on the competition and challenge see the "GO Competition Challenge 1 Information" and "GO Competition Challenge 1 Additional Information" resources below.

ACOPF↗

DOE OSTI2023

Demonstration of Scaled-Production of Rare Earth Oxides and Critical Materials from U. S. Coal-Based Sources (Final Report)

The project objective was to demonstrate scaled production of high purity rare earth oxides (REO), nominally exceeding 90% grade, from coal refuse sources using innovative technologies that reduce cost and improve environmental outcomes relative to traditional rare earth processing technologies. The project utilized a critical material pilot plant constructed and tested as part of a previous U.S. Department of Energy project. Target performance criteria was a 50% reduction in production cost based on previous optimum values, 150% increase in recovery and greater than 2% concentrates of rare earth oxides, cobalt and manganese. Concentrate production goals were to produce a rare earth mix oxide product at a rate of 200 grams per day having a minimum purity of 50% as well as products of cobalt and manganese having a minimum purity of 2%. A previous pilot plant investigation identified acid cost as the major contributor to an operating cost that made the recovery of rare earth and other critical metals from bituminous coal sources economically challenging. As such, acid cost reduction was a major target using bio-oxidation reactors to produce sulfuric acid from naturally occurring coal pyrite. Based on laboratory data, a bio-oxidation circuit was designed for the pilot plant to produce 7.5 l/min of acid using two 11-m3 (3000 gallon) reactors equipped with 40 hp aerators for air dispersion. The pilot-scale tests revealed that acid concentration equivalent to as high as 1.0 M sulfuric acid could be continuously produced. However, the bio-acid contained exceptionally high iron concentrations, which complicated downstream processing of the pregnant leach solution (PLS). A TEA of the bio-oxidation circuit showed that production cost was approximately $0.13 per kg acid equivalent if produced using a four-day retention time in the reactors. This value represents a 48% reduction from that of purchased bulk sulfuric acid. Calcination (or roasting) studies were conducted on coarse refuse from West Kentucky No. 13 and Fire Clay coal seam sources. The test results revealed the potential to increase recovery by nearly 100% using temperatures between 500°C to 700°C with light REE recovery value being the most improved. Acid baking of the calcined products using sulfuric acid at 250°C increased heavy rare earth recovery from around 40% to 80% while decreasing the acid requirements by over 50%. The existing pilot plant was upgraded for the pilot scale demonstration of REE and CM recovery. The primary feedstocks were West Kentucky No.13 and heap leach pregnant leach solution (PLS) while a secondary feedstock was a lignite waste material from a construction sand operation. The pilot scale operation started with PLS generation through leaching followed by iron and aluminum removal, nominally at 3.3 and 4.5 pH, respectively. Leaching lixiviants used for the test were industrial grade sulfuric acid or bio-acid generated at the pilot scale facility. For most of the tests, the solid feed rate was 200 lb/hr whereas lixiviant was added at 2 gpm to provide an optimal residence time of 45 minutes. Following the contaminant removal step, several different process schematics were tested with the goal of maximizing REE recovery and purity. In the first test, direct processing of aluminum precipitation raffinate for REE recovery using oxalic acid at pH 1.5 was investigated. Overall REE recovery was approximately 45%. Unfortunately, elevated calcium content in the PLS significantly impacted the RE-Oxide product grade. Similarly, high calcium content decreased both the product purity and grades of CM products. As such, a new flowsheet was tested with the same initial process schematic but different precipitation stages for REEs and CMs at pH 6.0 and 9.0, respectively. It was noted that the overlapping precipitation behavior of Co, Ni and Zn with REEs limited the applicability of this process schematic. While this change increased the RE-Oxide grade from 36% in the first test to 87%, the loss of critical metals to the REE cake and bypass of the REEs to the CM cake significantly impacted the recovery of both REEs and CMs. Therefore, the modified process flowsheet combined oxalic acid precipitation stage raffinate and redissolved CM cake filtrate to maximize both the recovery and purity of the products. Consequently, a RE-Oxide product with 85% purity and CM cakes with over 19% Co, 38% Ni, 14% Zn and 9% Mn content were generated with significantly higher recoveries. While the modified process flowsheet improved recoveries and grades, elemental losses observed in separate precipitation and redissolution losses inspired the adaptation of a single precipitation stage at pH 9.0 for both REEs and CMs. This change was anticipated to maximize the REE recovery while minimizing the costs associated with separated redissolution and processing stages. As expected, REE recovery in this new circuit arrangement was over 56% with a product grade of over 87% RE-Oxide content. Similarly, Co, Ni, Mn, and Zn recoveries of 54%, 40%, 67%, and 66%, respectively, were achieved. Unfortunately, the elevated calcium content present in the solution due to its precipitation at pH 9.0 caused a decrease in the CM cake quality. Therefore, the final process flowsheet involved the addition of calcium oxalate precipitation following the oxalic acid precipitation stage, which effectively eliminated calcium contamination of the CM products. Finally, the pilot scale experiments conducted using bio-acid achieved comparable REE leaching recoveries to the conventional sulfuric acid leaching. Elevated iron concentration in the solution caused the co-precipitation of REEs with the iron and aluminum cake, resulting in the REE losses. Furthermore, elevated iron content bypassing the iron and aluminum precipitation stages contaminated the metal sulfide and manganese cake, respectively. A techno-economic analysis was performed based on a commercial facility capable of treating 500 tph of coal-based material. The production cost for West Kentucky No. 13 coarse refuse material ranged from approximately $500-$700/kg of total rare earth oxide whereas the lignite source had significantly lower production cost of $100-$300/kg. The significant difference in cost was due to the easier leaching characteristics of the lignite material and the higher feed concentrations. All process scenarios resulted in a negative net present value (NPV). For the lignite feedstock, laboratory REE leach recovery values were about 30% higher than the pilot plant data. Using the lab leach results, a positive net present value was achieved and the production cost decreased from $100-$300 $/kg to less than $150/kg of total REO.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2000

Applying Technology Ranking and Systems Engineering in Advanced Life Support

According to the Advanced Life Support (ALS) Program Plan, the Systems Modeling and Analysis Project (SMAP) has two important tasks: 1) prioritizing investments in ALS Research and Technology Development (R&TD), and 2) guiding the evolution of ALS systems. Investments could be prioritized simply by independently ranking different technologies, but we should also consider a technology's impact on system design. Guiding future ALS systems will require SMAP to consider many aspects of systems engineering. R&TD investments can be prioritized using familiar methods for ranking technology. The first step is gathering data on technology performance, safety, readiness level, and cost. Then the technologies are ranked using metrics or by decision analysis using net present economic value. The R&TD portfolio can be optimized to provide the maximum expected payoff in the face of uncertain future events. But more is needed. The optimum ALS system can not be designed simply by selecting the best technology for each predefined subsystem. Incorporating a new technology, such as food plants, can change the specifications of other subsystems, such as air regeneration. Systems must be designed top-down starting from system objectives, not bottom-up from selected technologies. The familiar top-down systems engineering process includes defining mission objectives, mission design, system specification, technology analysis, preliminary design, and detail design. Technology selection is only one part of systems analysis and engineering, and it is strongly related to the subsystem definitions. ALS systems should be designed using top-down systems engineering. R&TD technology selection should consider how the technology affects ALS system design. Technology ranking is useful but it is only a small part of systems engineering.

Jones, Harry↗

NASA NTRS2002

A Self-Replicating Ligase Ribozyme

A self-replicating molecule directs the covalent assembly of component molecules to form a product that is of identical composition to the parent. When the newly formed product also is able to direct the assembly of product molecules, the self-replicating system can be termed autocatalytic. A self-replicating system was developed based on a ribozyme that catalyzes the assembly of additional copies of Itself through an RNA-catalyzed RNA ligation reaction. The R3C ligase ribozyme was redesigned so that it would ligate two substrates to generate an exact copy of itself, which then would behave in a similar manner. This self-replicating system depends on the catalytic nature of the RNA for the generation of copies. A linear dependence was observed between the initial rate of formation of new copies and the starting concentration of ribozyme, consistent with exponential growth. The autocatalytic rate constant was 0.011 per min, whereas the initial rate of reaction in the absence of pre-existing ribozyme was only 3.3 x 10(exp -11) M per min. Exponential growth was limited, however, because newly formed ribozyme molecules had greater difficulty forming a productive complex with the two substrates. Further optimization of the system may lead to the sustained exponential growth of ribozymes that undergo self-replication.

Paul, Natasha↗

DOE OSTI2023

Dimensionality Reduction with Variational Encoders Based on Subsystem Purification

Efficient methods for encoding and compression are likely to pave the way toward the problem of efficient trainability on higher-dimensional Hilbert spaces, overcoming issues of barren plateaus. Here, we propose an alternative approach to variational autoencoders to reduce the dimensionality of states represented in higher dimensional Hilbert spaces. To this end, we build a variational algorithm-based autoencoder circuit that takes as input a dataset and optimizes the parameters of a Parameterized Quantum Circuit (PQC) ansatz to produce an output state that can be represented as a tensor product of two subsystems by minimizing $Tr(ρ^2)$. The output of this circuit is passed through a series of controlled swap gates and measurements to output a state with half the number of qubits while retaining the features of the starting state in the same spirit as any dimension-reduction technique used in classical algorithms. The output obtained is used for supervised learning to guarantee the working of the encoding procedure thus developed. We make use of the Bars and Stripes (BAS) dataset for an 8 × 8 grid to create efficient encoding states and report a classification accuracy of 95% on the same. Thus, the demonstrated example provides proof for the working of the method in reducing states represented in large Hilbert spaces while maintaining the features required for any further machine learning algorithm that follows.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1973

Shuttle cryogenics supply system. Optimization study. Volume 5 B-4: Programmers manual for space shuttle orbit injection analysis (SOPSA)

A computer program for space shuttle orbit injection propulsion system analysis (SOPSA) is described to show the operational characteristics and the computer system requirements. The program was developed as an analytical tool to aid in the preliminary design of propellant feed systems for the space shuttle orbiter main engines. The primary purpose of the program is to evaluate the propellant tank ullage pressure requirements imposed by the need to accelerate propellants rapidly during the engine start sequence. The SOPSA program will generate parametric feed system pressure histories and weight data for a range of nominal feedline sizes.

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