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DOE OSTI2024

Wildfire management decisions outweigh mechanical treatment as the keystone to forest landscape adaptation

Modern land management faces unprecedented uncertainty regarding future climates, novel disturbance regimes, and unanticipated ecological feedbacks. Mitigating this uncertainty requires a cohesive landscape management strategy that utilizes multiple methods to optimize benefits while hedging risks amidst uncertain futures. We used a process-based landscape simulation model (LANDIS-II) to forecast forest management, growth, climate effects, and future wildfire dynamics, and we distilled results using a decision support tool allowing us to examine tradeoffs between alternative management strategies. We developed plausible future management scenarios based on factorial combinations of restoration-oriented thinning prescriptions, prescribed fire, and wildland fire use. Results were assessed continuously for a 100-year simulation period, which provided a unique assessment of tradeoffs and benefits among seven primary topics representing social, ecological, and economic aspects of resilience. Projected climatic changes had a substantial impact on modeled wildfire activity. In the Wildfire Only scenario (no treatments, but including active wildfire and climate change), we observed an upwards inflection point in area burned around mid-century (2060) that had detrimental impacts on total landscape carbon storage. While simulated mechanical treatments (~ 3% area per year) reduced the incidence of high-severity fire, it did not eliminate this inflection completely. Scenarios involving wildland fire use resulted in greater reductions in high-severity fire and a more linear trend in cumulative area burned. Mechanical treatments were beneficial for subtopics under the economic topic given their positive financial return on investment, while wildland fire use scenarios were better for ecological subtopics, primarily due to a greater reduction in high-severity fire. Benefits among the social subtopics were mixed, reflecting the inevitability of tradeoffs in landscapes that we rely on for diverse and countervailing ecosystem services. This study provides evidence that optimal future scenarios will involve a mix of active and passive management strategies, allowing different management tactics to coexist within and among ownerships classes. Our results also emphasize the importance of wildfire management decisions as central to building more robust and resilient future landscapes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1996

System Synthesis in Preliminary Aircraft Design using Statistical Methods

This paper documents an approach to conceptual and preliminary aircraft design in which system synthesis is achieved using statistical methods, specifically design of experiments (DOE) and response surface methodology (RSM). These methods are employed in order to more efficiently search the design space for optimum configurations. In particular, a methodology incorporating three uses of these techniques is presented. First, response surface equations are formed which represent aerodynamic analyses, in the form of regression polynomials, which are more sophisticated than generally available in early design stages. Next, a regression equation for an overall evaluation criterion is constructed for the purpose of constrained optimization at the system level. This optimization, though achieved in a innovative way, is still traditional in that it is a point design solution. The methodology put forward here remedies this by introducing uncertainty into the problem, resulting a solutions which are probabilistic in nature. DOE/RSM is used for the third time in this setting. The process is demonstrated through a detailed aero-propulsion optimization of a high speed civil transport. Fundamental goals of the methodology, then, are to introduce higher fidelity disciplinary analyses to the conceptual aircraft synthesis and provide a roadmap for transitioning from point solutions to probabalistic designs (and eventually robust ones).

DeLaurentis, Daniel↗

NASA NTRS1996

System Synthesis in Preliminary Aircraft Design Using Statistical Methods

This paper documents an approach to conceptual and early preliminary aircraft design in which system synthesis is achieved using statistical methods, specifically Design of Experiments (DOE) and Response Surface Methodology (RSM). These methods are employed in order to more efficiently search the design space for optimum configurations. In particular, a methodology incorporating three uses of these techniques is presented. First, response surface equations are formed which represent aerodynamic analyses, in the form of regression polynomials, which are more sophisticated than generally available in early design stages. Next, a regression equation for an Overall Evaluation Criterion is constructed for the purpose of constrained optimization at the system level. This optimization, though achieved in an innovative way, is still traditional in that it is a point design solution. The methodology put forward here remedies this by introducing uncertainty into the problem, resulting in solutions which are probabilistic in nature. DOE/RSM is used for the third time in this setting. The process is demonstrated through a detailed aero-propulsion optimization of a High Speed Civil Transport. Fundamental goals of the methodology, then, are to introduce higher fidelity disciplinary analyses to the conceptual aircraft synthesis and provide a roadmap for transitioning from point solutions to probabilistic designs (and eventually robust ones).

DeLaurentis, Daniel↗

NASA NTRS2006

Vapor Hydrogen Peroxide as Alternative to Dry Heat Microbial Reduction

The Jet Propulsion Laboratory, in conjunction with the NASA Planetary Protection Officer, has selected vapor phase hydrogen peroxide (VHP) sterilization process for continued development as a NASA approved sterilization technique for spacecraft subsystems and systems. The goal is to include this technique, with appropriate specification, in NPG8020.12C as a low temperature complementary technique to the dry heat sterilization process. A series of experiments were conducted in vacuum to determine VHP process parameters that provided significant reductions in spore viability while allowing survival of sufficient spores for statistically significant enumeration. With this knowledge of D values, sensible margins can be applied in a planetary protection specification. The outcome of this study provided an optimization of test sterilizer process conditions: VHP concentration, process duration, a process temperature range for which the worst case D value may be imposed, a process humidity range for which the worst case D value may be imposed, and robustness to selected spacecraft material substrates.

vapor hydrogen peroxide↗

NASA NTRS2013

Practical Application of PRA as an Integrated Design Tool for Space Systems

This paper presents the application of the first comprehensive Probabilistic Risk Assessment (PRA) during the design phase of a joint NASA/NOAA weather satellite program, Geostationary Operational Environmental Satellite Series R (GOES-R). GOES-R is the next generation weather satellite primarily to help understand the weather and help save human lives. PRA has been used at NASA for Human Space Flight for many years. PRA was initially adopted and implemented in the operational phase of manned space flight programs and more recently for the next generation human space systems. Since its first use at NASA, PRA has become recognized throughout the Agency as a method of assessing complex mission risks as part of an overall approach to assuring safety and mission success throughout project lifecycles. PRA is now included as a requirement during the design phase of both NASA next generation manned space vehicles as well as for high priority robotic missions. The influence of PRA on GOES-R design and operation concepts are discussed in detail. The GOES-R PRA is unique at NASA for its early implementation. It also represents a pioneering effort to integrate risks from both Spacecraft (SC) and Ground Segment (GS) to fully assess the probability of achieving mission objectives. PRA analysts were actively involved in system engineering and design engineering to ensure that a comprehensive set of technical risks were correctly identified and properly understood from a design and operations perspective. The analysis included an assessment of SC hardware and software, SC fault management system, GS hardware and software, common cause failures, human error, natural hazards, solar weather and infrastructure (such as network and telecommunications failures, fire). PRA findings directly resulted in design changes to reduce SC risk from micro-meteoroids. PRA results also led to design changes in several SC subsystems, e.g. propulsion, guidance, navigation and control (GNC), communications, mechanisms, and command and data handling (C&DH). The fault tree approach assisted in the development of the fault management system design. Human error analysis, which examined human response to failure, indicated areas where automation could reduce the overall probability of gaps in operation by half. In addition, the PRA brought to light many potential root causes of system disruptions, including earthquakes, inclement weather, solar storms, blackouts and other extreme conditions not considered in the typical reliability and availability analyses. Ultimately the PRA served to identify potential failures that, when mitigated, resulted in a more robust design, as well as to influence the program's concept of operations. The early and active integration of PRA with system and design engineering provided a well-managed approach for risk assessment that increased reliability and availability, optimized lifecyc1e costs, and unified the SC and GS developments.

Kalia, Prince↗

NASA NTRS2016

Sylph - A SmallSat Probe Concept Engineered to Answer Europa's Big Question

Europa, the Galilean satellite second from Jupiter, contains a vast, subsurface ocean of liquid water. Recent observations indicate possible plume activity. If such a plume expels ocean water into space as at Enceladus, a spacecraft could directly sample the ocean by analyzing the plume’s water vapor, ice, and grains. Due to Europa’s strong gravity, such sampling would have to be done within 5 km of the surface to sample ice grains larger than 5 µm, expected to be frozen ocean spray and thus to contain non-volatile species critical to a biosignature-detection mission. By contrast, the planned Europa Multiple Flyby Mission’s closest planned flyby altitude is 25 km. Sylph is a concept for a SmallSat free-flyer probe that, deployed from the planned Europa Mission, would directly sample the large grains by executing a single ~2-km altitude plume pass. The 40-kg probe would be deployed by the Europa mission just before it executes a plume fly-through. Within the probe’s 16-hour lifespan, it would autonomously navigate to perform a parallel, simultaneous pass at the lower altitude. The Sylph flight system design concept combines SmallSat technologies with robust traditional components and advanced manufacturing technologies. Its payload would comprise Mini-SUDA (SUrface Dust Mass Analyzer), a dual-channel, miniature impact ionization mass spectrometer. Sylph represents a novel type of SmallSat concept: purpose-built configuration, optimized for the harsh environment at Europa and for planetary-protection requirements, and hybridized from both mainstream and SmallSat components.

Imken, Travis↗

NASA NTRS2026

The Future of in-Situ Sequencing-Based Microbial Monitoring: Development of a Shelf-Stable Method for Artemis and Beyond

Microbial monitoring onboard the International Space Station (ISS) is essential for assessing the efficiency of the Environmental Control and Life Support Systems (ECLSS) and providing insight into potential risk to both crew and spacecraft. Historically, this monitoring required the need to culture organisms onboard, return these cultures to Earth, and then complete the identifications, a process that would take months. Over the past decade, and through numerous payloads, advances in molecular biology have enabled in-flight microbial identifications using nanopore sequencing. The swab-to-sequencer method resulting from these efforts was transitioned from research to operations for microbial monitoring under the Crew Health Care Systems (CHeCS) BioMole. Collectively, these accomplishments have propelled the swab-to-sequencer method to be selected as the Microbial Surface Monitor (MSM) for Gateway, as well as a payload on Artemis IV. However, the lack of cold stowage availability for Artemis requires modifications to the entire method due to the thermal instability of the reagents required for sample preparation. To achieve this, new development, optimization, and validations were undertaken. Key considerations included enzyme concentration, buffer compatibility, and equal or enhanced sensitivity and specificity. At each step, thorough side-by-side comparisons with the current ISS method were performed. The development of a robust shelf-stable method will ensure continued sequencing-based microbial monitoring for Artemis and beyond, providing data in near real-time, enhancing risk response time, and yielding clear insight into the microbiome of spacecraft.

Christian G Mena↗

NASA NTRS2011

A Generalized Framework for Constrained Design Optimization of General Supersonic Configurations Using Adjoint Based Sensitivity Derivatives

The Aeronautics Research Mission Directorate (ARMD) sent out an NASA Research Announcement (NRA) for proposals soliciting research and technical development. The proposed research program was aimed at addressing the desired milestones and outcomes of ROA (ROA-2006) Subtopic A.4.1.1 Advanced Computational Methods. The second milestone, SUP.1.06.02 Robust, validated mesh adaptation and error quantification for near field Computational Fluid Dynamics (CFD), was addressed by the proposed research. Additional research utilizing the direct links to geometry through a CAD interface enabled by this work will allow for geometric constraints to be applied and address the final milestone, SUP2.07.06 Constrained low-drag supersonic aerodynamic design capability. The original product of the proposed research program was an integrated system of tools that can be used for the mesh mechanics required for rapid high fidelity analysis and for design of supersonic cruise vehicles. These Euler and Navier-Stokes volume grid manipulation tools were proposed to efficiently use parallel processing. The mesh adaptation provides a systematic approach for achieving demonstrated levels of accuracy in the solutions. NASA chose to fund only the mesh generation/adaptation portion of the proposal. So this report describes the completion of the proposed tasks for mesh creation, manipulation and adaptation as it pertains to sonic boom prediction of supersonic configurations.

Karman, Steve L., Jr.↗

DOE OSTI2022

Bayesian optimization to design a novel x-ray shaping device

In radiation therapy, x-ray dose must be precisely sculpted to the tumor, while simultaneously avoiding surrounding organs at risk. This requires modulation of x-ray intensity in space and/or time. Typically, this is achieved using a multi leaf collimator (MLC) - a complex mechatronic device comprising over one hundred individually powered tungsten ‘leaves’ that move in or out of the radiation field as required. Here, an all-electronic x-ray collimation concept with no moving parts is presented, termed “SPHINX”: Scanning Pencil-beam High-speed Intensity-modulated X-ray source. SPHINX utilizes a spatially distributed bremsstrahlung target and collimator array in conjunction with magnetic scanning of a high energy electron beam to generate a plurality of small x-ray “beamlets.” A simulation framework was developed in Topas Monte Carlo incorporating a phase space electron source, transport through user defined magnetic fields, bremsstrahlung x-ray production, transport through a SPHINX collimator, and dose in water. This framework was completely parametric, meaning a simulation could be built and run for any supplied geometric parameters. This functionality was coupled with Bayesian optimization to find the best parameter set based on an objective function which included terms to maximize dose rate for a user defined beamlet width while constraining inter-channel cross talk and electron contamination. Designs for beamlet widths of 5, 7, and 10 mm 2 were generated. Each optimization was run for 300 iterations and took approximately 40 h on a 24-core computer. For the optimized 7-mm model, a simulation of all beamlets in water was carried out including a linear scanning magnet calibration simulation. Finally, a back-of-envelope dose rate formalism was developed and used to estimate dose rate under various conditions. The optimized 5–, 7–, and 10-mm models had beamlet widths of 5.1 , 7.2 , and 10.1 mm 2 and dose rates of 3574, 6351, and 10 015 Gy/C, respectively. The reduction in dose rate for smaller beamlet widths is a result of both increased collimation and source occlusion. For the simulation of all beamlets in water, the scanning magnet calibration reduced the offset between the collimator channels and beam centroids from 2.9 ±1.9 mm to 0.01 ±0.03 mm. A slight reduction in dose rate of approximately 2% per degree of scanning angle was observed. Based on a back-of-envelope dose rate formalism, SPHINX in conjunction with next-generation linear accelerators has the potential to achieve substantially higher dose rates than conventional MLC-based delivery, with delivery of an intensity modulated 100 x 100 mm 2 field achievable in 0.9 to 10.6 s depending on the beamlet widths used. Bayesian optimization was coupled with Monte Carlo modeling to generate SPHINX geometries for various beamlet widths. A complete Monte Carlo simulation for one of these designs was developed, including electron beam transport of all beamlets through scanning magnets, x-ray production and collimation, and dose in water. These results demonstrate that SPHINX is a promising candidate for sculpting radiation dose with no moving parts, and has the potential to vastly improve both the speed and robustness of radiotherapy delivery. A multi-beam SPHINX system may be a candidate for delivering magavoltage FLASH RT in humans.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2020

Extremum seeking for optimal control problems with unknown time-varying systems and unknown objective functions

We consider the problem of optimal feedback control of an unknown, noisy, time-varying, dynamic system that is initialized repeatedly. Examples include a robotic manipulator which must perform the same motion, such as assisting a human, repeatedly and accelerating cavities in particle accelerators which are turned on for a fraction of a second with given initial conditions and vary slowly due to temperature fluctuations. In this paper, we present an approach that applies to systems of practical interest. The method presented here is model independent; does not require knowledge of the objective function; is robust to measurement noise; is applicable for any set of initial conditions; is applicable to simultaneously controlling an arbitrary number of parameters; and may be implemented with a broad range of continuous or discontinuous functions such as sine or square waves. For systems with convex cost functions we prove that our algorithm will produce controllers that approach the minimal cost. For linear systems we reproduce the cost minimizing linear quadratic regulator optimal controller that could have been designed analytically had the system and cost function been known. We demonstrate the effectiveness of the algorithm with simulation studies of noisy and time-varying systems.

42 ENGINEERING↗

DOE OSTI2020

Sequential ensemble transform for Bayesian inverse problems

In this work, we present the Sequential Ensemble Transform (SET) method, an approach for generating approximate samples from a Bayesian posterior distribution. The method explores the posterior distribution by solving a sequence of discrete optimal transport problems to produce a series of transport plans which map prior samples to posterior samples. We prove that the sequence of Dirac mixture distributions produced by the SET method converges weakly to the true posterior as the sample size approaches infinity. Furthermore, our numerical results indicate that, when compared to standard Sequential Monte Carlo (SMC) methods, the SET approach is more robust to the choice of Markov mutation kernels and requires less computational efforts to reach a similar accuracy when used to explore complex posterior distributions. Finally, we describe adaptive schemes that allow to completely automate the use of the SET method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

An explicit solution to the optimal LQG problem for flexible structures with collocated rate sensors

We present a class of compensators in explicit form (not requiring numerical computer calculations) for stabilizing flexible structures with collocated rate sensors. They are based on the explicit solution, valid for both Continuum and FEM Models, of the LQG problem for minimizing mean square rate. They are robust with respect to system stability (will not destabilize modes even with mismatch of parameters), can be instrumented in state space form suitable for digital controllers, and can be specified directly from the structure modes and mode 'signature' (displacement vectors at sensor locations). Some simulation results are presented for the NASA LaRC Phase-Zero Evolutionary Model - a modal Trust model with 86 modes - showing damping ratios attainable as a function of compensator design parameters and complexity.

Balakrishnan, A. V.↗

NASA NTRS2004

Cooperative Lander-Surface/Aerial Microflyer Missions for Mars Exploration

Concepts are being investigated for exploratory missions to Mars based on Bioinspired Engineering of Exploration Systems (BEES), which is a guiding principle of this effort to develop biomorphic explorers. The novelty lies in the use of a robust telecom architecture for mission data return, utilizing multiple local relays (including the lander itself as a local relay and the explorers in the dual role of a local relay) to enable ranges ~10 to 1,000 km and downlink of color imagery. As illustrated in Figure 1, multiple microflyers that can be both surface or aerially launched are envisioned in shepherding, metamorphic, and imaging roles. These microflyers imbibe key bio-inspired principles in their flight control, navigation, and visual search operations. Honey-bee inspired algorithms utilizing visual cues to perform autonomous navigation operations such as terrain following will be utilized. The instrument suite will consist of a panoramic imager and polarization imager specifically optimized to detect ice and water. For microflyers, particularly at small sizes, bio-inspired solutions appear to offer better alternate solutions than conventional engineered approaches. This investigation addresses a wide range of interrelated issues, including desired scientific data, sizes, rates, and communication ranges that can be accomplished in alternative mission scenarios. The mission illustrated in Figure 1 offers the most robust telecom architecture and the longest range for exploration with two landers being available as main local relays in addition to an ephemeral aerial probe local relay. The shepherding or metamorphic plane are in their dual role as local relays and image data collection/storage nodes. Appropriate placement of the landing site for the scout lander with respect to the main mission lander can allow coverage of extremely large ranges and enable exhaustive survey of the area of interest. In particular, this mission could help with the path planning and risk mitigation in the traverse of the long-distance surface explorer/rover. The basic requirements of design and operation of BEES to implement the scenarios are discussed. Terrestrial applications of such concepts include distributed aerial/surface measurements of meteorological events, i.e., storm watch, seismic monitoring, reconnaissance, biological chemical sensing, search and rescue, surveillance, autonomous security/ protection agents, and/or delivery and lateral distribution of agents (sensors, surface/subsurface crawlers, clean-up agents). Figure 2 illustrates an Earth demonstration that is in development, and its implementation will illustrate the value of these biomorphic mission concepts.

Thakoor, Sarita↗

DOE OSTI2026

Modeling and Experimental Validation of a Direct-Contact Counter-Flow Fluidized Bed Heat Exchanger for Thermal Energy Storage (TES) Applications

Particle-based thermal energy storage (TES) systems are an emerging energy storage technology. The technological advances have reduced costs, making TES more competitive and reliable in the marketplace but an efficient and reliable operation is heavily dependent on coherent heat transfer between air to particles or vice versa. The particle-based TES technologies provide an intermediate system that can store energy for short (0-10 h), long (10-200 h) and seasonal (> 200 h) timescales. The TES systems store energy by converting electricity to thermal energy; electricity can be directly sourced intermittent generation technologies and/or the grid, helping manage peak loads and other mismatches in supply and demand. The overall efficiency of the TES system depends on the performance of system components (particle storage silos and particle transfer mechanism etc.). The particle heat exchanger is one of the key system components that affects the system efficiency. The pressurized fluidized bed heat exchanger (PFB HX) performance is challenging to predict due to the chaotic behavior of particle and fluid interaction. This research presents a computational study of a novel direct-contact, counter-flow and air-to-particles PFB HX, that contributes in advancing the particle-based long-duration TES technologies. For the current analysis an unsteady Eulerian-Eulerian CFD model was developed and validated against experiments performed at the National Laboratory of the Rockies for two particle sizes (600 ..mu..m and 825 ..mu..m ). Following validation, parametric simulations were conducted to evaluate the effects of interphase drag models (Syamlal-O'Brien and Gidaspow), particle size, bed height and the influence of a frictional-viscosity term on hydrodynamics and heat transfer between the air & particles. The key findings from the analysis are: (1) for the studied operating window Syamlal-O'Brien provides superior agreement with measured gas temperatures (errors generally < 10%) while Gidaspow shows large deviations for the coarse particle case; (2) model predictions are most sensitive in the lower 0.2 m above the air distributor where bubble initiation and local mixing dominate interphase heat transfer; (3) representation of the distributor (number of inlet ports) materially affects predicted local mixing and temperature stratification; and (4) the Eulerian-Eulerian framework reproduces bulk thermal trends but shows regime dependent limitations for coarse particles, motivating mesoscale informed closures for scale-up analysis for future studies. These results provide validated guidance for drag selection and distributor design in particle-based thermal energy storage applications. Collectively, the validated model and parametric results quantify key drivers of PHB-HX performance and provide practical guidance for design and optimization. The results provide confidence in the model predictability and provide a step forward to improve on heat exchange performance. The demonstrated performance and modeling approach support the deployment and further development of this novel PHB-HX concept for robust, particle-based long-duration thermal energy storage systems.

25 ENERGY STORAGE↗

DOE OSTI2025

RTx-303, an Orally Bioavailable Polθ Polymerase Inhibitor That Potentiates PARP Inhibitors in BRCA Mutant Tumors

Abstract DNA polymerase θ (Polθ) is a polymerase-helicase fusion protein that is synthetically lethal with homologous recombination (HR) factors, such as BRCA1/2, and confers resistance to PARP inhibitors (PARPi) and other genotoxic cancer therapies. Previously developed Polθ polymerase (Polθ-pol) inhibitors (Polθi) exhibited limited pharmacological activity and metabolic stability, warranting the development of a Polθi with improved drug-like properties. Here, we developed RTx-303, a selective allosteric small-molecule Polθ-pol inhibitor that exhibits 5.1 nM IC50, 88% oral bioavailability, and a prolonged half-life along with its equipotent metabolite. X-ray crystallography highlights the development of a solvent-exposed side-chain that is essential for the optimal drug-like properties of RTx-303. Notably, RTx-303 exhibits significantly higher cellular potency than previously developed Polθ-pol inhibitors and strongly potentiates PARPi in BRCA1/2 mutant cells and patient-derived xenograft models. The superior potency, robust pharmacological activity, and high tolerability of RTx-303 warrant further development as a Polθ-pol inhibitor drug candidate.

Chandramouly, Gurushankar [Thomas Jefferson Univer↗

DOE OSTI2021

Magnetic excitations of the hybrid multiferroic (ND 4 ) 2 FeCl 5 ·D 2 O

We report a comprehensive inelastic neutron scattering study of the hybrid molecule-based multiferroic compound ( ND 4 ) 2 FeCl 5 · D 2 O in the zero-field incommensurate cycloidal phase and the high-field quasicollinear phase. The spontaneous electric polarization changes its direction concurrently with the field-induced magnetic transition, from mostly aligned with the crystallographic a axis to the c axis. To account for such a change in polarization direction, the underlying multiferroic mechanism was proposed to switch from the spin-current model induced via the inverse Dzyaloshinskii-Moriya interaction to the p - d hybridization model. We perform a detailed analysis of the inelastic neutron data of ( ND 4 ) 2 FeCl 5 · D 2 O using linear spin-wave theory to quantify magnetic interaction strengths and investigate the possible impact of different multiferroic mechanisms on the magnetic couplings. Overall our result reveals that the spin dynamics of both multiferroic phases can be well described by a Heisenberg Hamiltonian with easy-plane anisotropy. We do not find notable differences between the optimal model parameters of the two phases. The hierarchy of exchange couplings and the balance among frustrated interactions remain the same between two phases, suggesting that magnetic interactions in ( ND 4 ) 2 FeCl 5 · D 2 O are much more robust than the electric polarization in response to delicate reorganizations of the electronic degrees of freedom in an applied magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Breakup dynamics in a pressure-swirl injector for urea-water solution applications: A computational study

The co-optimization of in-cylinder combustion and after-treatment technology has become a major aspect in engine design and development, with the goal of meeting the increasingly restrictive emission regulations in the transportation industry. Selective Catalytic Reduction is a robust technology to control the emission of NO x , and the injection of urea in water solution is the exhaust tailpipe is a key aspect of its operation. The proposed work uses high-fidelity Computational Fluid Dynamics to characterize the atomization dynamics of the liquid jet in relevant cross-flow conditions. The study focuses on a commercial low-pressure (9 bar) pressure-swirl injector which is characterized in its internal geometry through high-resolution X-ray micro-computational tomography. The internal two-phase flow has been modeled according to the volume-of-fluid approach in a large eddy simulation framework and validated against near-nozzle X-ray radiography measurement. Moreover, characterizing the breakup dynamics for the swirling hollow cone formation, and assessing the influence of the cross-flow in the breakup dynamics was completed. The results have been reported proposing Re-Oh maps and probability density functions of the spray kinematics. Higher cross-flow momentum generates an increase in the jet intact length and a reduction of the liquid droplet diameters. The axial momentum of the jet is affected by the cross-flow already in the near-nozzle region, determining a relevant deviation of the spray velocities. In conclusion, this work aims to inform the initialization of Eulerian-Lagrangian spray models through the assignment of droplet kinematics and static one-way coupling between volume-of-fluid results and Lagrangian spray parcels, to be used for system-size domain simulations.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

A Review of Quantum Computing Technologies in Power System Optimization

As modern power grids increasingly integrate variable renewable generation, distributed energy resources, and energy storage systems, classical optimization techniques are facing unprecedented challenges. This review examines the emerging application of quantum computing to overcome these challenges in power system optimization, including optimal power flow (OPF), unit commitment (UC), economic dispatch (ED), and intelligent switching and topology optimization (IS-TO). Recent research has introduced various quantum methodologies—such as gate-based, annealing-based, variational algorithms, and quantum-inspired algorithms—to address the combinatorial complexity inherent in grid reconfiguration and energy management. The review summaries the quantum algorithms, quantum devices and the power system test cases, highlighting hybrid quantum–classical strategies that leverage the complementary strengths of both paradigms. Some quantum advantages have been observed, including theoretical speedup, accurate simulation results, scalable qubit usage, efficient QUBO mapping. In particular, the review emphasizes the importance of integrating quantum optimization techniques with classical control frameworks, these hybrid approaches demonstrate the potential to improve real-time grid management and operational reliability. A significant portion of the analysis is devoted to the practical limitations of current quantum devices. Present-day quantum hardware, operating in the noisy intermediate-scale quantum (NISQ) era, remains highly sensitive to noise and limited in qubit connectivity, which constrains the scale and accuracy of implemented algorithms. The review delves into specific challenges such as the need for qubit-efficient encoding techniques and error mitigation strategies that are critical for handling real-world grid optimization problems. In addition, the work draws attention to the performance discrepancies between theoretical quantum speedups and experimental validations, underscoring the importance of rigorous benchmark studies using representative power grid test cases. In summary, this review highlights both the promise and limitations of quantum computing for power system optimization. It provides a comprehensive overview of the state-of-the-art technologies, categorizes recent advancements in algorithm design, and discusses practical considerations for implementation, and serves as an informative resource on current research. Future research directions include developing robust hybrid frameworks, advancing qubit-efficient formulations, and scaling up experimental demonstrations to confirm the theoretical advantages of quantum methods in large-scale power system operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗