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NASA NTRS1982

Solar wind energy transfer through the magnetopause of an open magnetosphere

An expression is derived for the total power, transferred from the solar wind to an open magnetosphere, which consists of the electromagnetic energy rate and the particle kinetic energy rate. The total rate of energy transferred from the solar wind to an open magnetosphere mainly consists of kinetic energy, and the kinetic energy flux is carried by particles, penetrating from the solar wind into the magnetosphere, which may contribute to the observed flow in the plasma mantle and which will eventually be convected slowly toward the plasma sheet by the electric field as they flow down the tail. While the electromagnetic energy rate controls the near-earth magnetospheric activity, the kinetic energy rate should dominate the dynamics of the distant magnetotail.

Lee, L. C.↗

DOE OSTI2023

Thermal Extraction and Delivery from Advanced Reactor Systems

This document presents preliminary thermodynamic analysis of thermal extraction and delivery from advanced nuclear reactors. Light-water, high temperature gas, sodium fast, and molten salt reactors are templated and analyzed for thermal extraction from nominal steam production conditions. Uncontrolled, controlled, and partial admission steam extraction methods are described and analyzed to show the differences in system impact from the various methods. Thermal delivery modeling results show comparisons that have become possible through the computational capabilities of the thermal delivery model. Due to the significant degrees of freedom of the problem, specific cases are used to compare the thermodynamic costs of heat transport using various heat transfer fluids. All this work is done using Modelica models, allowing for the future application of models in dynamic analyses beyond the steady-state calculations presented in this report. Appendices describe additional capabilities and methods that can help users analyze complex problems using HYBRID models developed in Modelica.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Resilient cooling through geothermal district energy system

Decarbonization and resilience to heat waves have recently become high priorities for building and district energy systems. Geothermal coupled district heating and cooling systems that operate a water loop near ground temperature gain increasing adoption to support decarbonization. In these systems, vapor-compression machines, distributed in the energy transfer stations, lift the temperature up or down to the needs of the particular building. In principle, these systems can provide low-power, free cooling from the geothermal bore field during heat waves when electricity is often scarce. However, the performance of such a resilience operation mode and its implication on the energy system configuration and the sizing of the bore field and HVAC equipment is not yet understood. Consequently, we are assessing their resilience, power use and design implications under a scenario of a heat wave on five working days during which chillers are switched off to reduce electrical consumption. Our analysis is based on high-fidelity, coupled dynamic models of district energy, building-side HVAC and actual control logic, with whole building energy simulation used to assess thermal conditions in a 2004 vintage multi-zone office building in Chicago, IL. The results show that relying only on waterside economizer cooling, the indoor thermal conditions can be maintained in a tolerable range for the majority of the building zones with half the electrical energy compared to standard chiller operation. Thermal comfort in the hottest zones can be further improved by oversizing the cooling coil. However, the waterside economizer has significant implications on the system configuration and sizing: The geothermal bore field needs to be sized about 30% larger than the upper limit of the range observed for conventional geothermal systems. Nevertheless, if a central chiller plant is added, the bore field can be downsized to the typical design range. The latter configuration still allows compressor-less cooling during the heat wave with peak power reduced by 60% compared to the standard design and chiller operation.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

Design and modeling of indirectly driven magnetized implosions on the NIF

The use of magnetic fields to improve the performance of hohlraum-driven implosions on the National Ignition Facility (NIF) is discussed. The focus is on magnetically insulated inertial confinement fusion, where the primary field effect is to reduce electron-thermal and alpha-particle loss from the compressed hotspot (magnetic pressure is of secondary importance). We summarize the requirements to achieve this state. The design of recent NIF magnetized hohlraum experiments is presented. These are close to earlier shots in the three-shock, high-adiabat (BigFoot) campaign, subject to the constraints that magnetized NIF targets must be fielded at room-temperature, and use ≲1 MJ of laser energy to avoid the risk of optics damage from stimulated Brillouin scattering. We present results from the original magnetized hohlraum platform, as well as a later variant that gives a higher hotspot temperature. In both platforms, imposed fields (at the capsule center) of up to 28 T increase the fusion yield and hotspot temperature. Integrated radiation-magneto-hydrodynamic modeling with the Lasnex code of these shots is shown, where laser power multipliers and a saturation clamp on cross-beam energy transfer are developed to match the time of peak capsule emission and the P2 Legendre moment of the hotspot x-ray image. The resulting fusion yield and ion temperature agree decently with the measured relative effects of the field, although the absolute simulated yields are higher than the data by 2.0−2.7×. The tuned parameters and yield discrepancy are comparable for experiments with and without an imposed field, indicating the model adequately captures the field effects. Self-generated and imposed fields are added sequentially to simulations of one BigFoot NIF shot to understand how they alter target dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Effect of magnetic perturbations on turbulence-flow dynamics at the L-H transition on DIII-D

Detailed 2D turbulence measurements from the DIII-D tokamak provide an explanation for how resonant magnetic perturbations (RMPs) raise the L-H power threshold P LH [P. Gohil et al. , Nucl. Fusion 51 , 103020 (2011)] in ITER-relevant, low rotation, ITER-similar-shape plasmas with favorable ion ∇ B direction. RMPs simultaneously raise the turbulence decorrelation rate Δ ω D and reduce the flow shear rate ω shear in the stationary L-mode state preceding the L-H transition, thereby disrupting the turbulence shear suppression mechanism. RMPs also reduce the Reynolds stress drive for poloidal flow, contributing to the reduction of ω shear . On the ~100 μ s timescale of the L-H transition, RMPs reduce Reynolds-stress-driven energy transfer from turbulence to flows by an order of magnitude, challenging the energy depletion theory for the L-H trigger mechanism. In contrast, non-resonant magnetic perturbations, which do not significantly affect P LH , do not affect Δ ω D and only slightly reduce ω shear and Reynolds-stress-driven energy transfer.<

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Visible-Light-Driven, Iridium-Catalyzed Hydrogen Atom Transfer: Mechanistic Studies, Identification of Intermediates, and Catalyst Improvements

The harvesting of visible light is a powerful strategy for the synthesis of weak chemical bonds involving hydrogen that are below the thermodynamic threshold for spontaneous H 2 evolution. Piano-stool iridium hydride complexes are effective for the bluelight- driven hydrogenation of organic substrates and contrathermodynamic dearomative isomerization. In this work, a combination of spectroscopic measurements, isotopic labeling, structure–reactivity relationships, and computational studies has been used to explore the mechanism of these stoichiometric and catalytic reactions. Photophysical measurements on the iridium hydride catalysts demonstrated the generation of long-lived excited states with principally metal-to-ligand charge transfer (MLCT) character. Transient absorption spectroscopic studies with a representative substrate, anthracene revealed a diffusion-controlled dynamic quenching of the MLCT state. The triplet state of anthracene was detected immediately after the quenching events, suggesting that triplet–triplet energy transfer initiated the photocatalytic process. The key role of triplet anthracene on the post-energy transfer step was further demonstrated by employing photocatalytic hydrogenation with a triplet photosensitizer and a HAT agent, hydroquinone. DFT calculations support a concerted hydrogen atom transfer mechanism in lieu of stepwise electron/proton or proton/electron transfer pathways. Kinetic monitoring of the deactivation channel established an inverse kinetic isotope effect, supporting reversible C(sp 2 )–H reductive coupling followed by rate-limiting ligand dissociation. Mechanistic insights enabled design of a piano-stool iridium hydride catalyst with a rationally modified supporting ligand that exhibited improved photostability under blue light irradiation. The complex also provided improved catalytic performance toward photoinduced hydrogenation with H 2 and contra-thermodynamic isomerization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Glancing Angle Deposition in Gas Sensing: Bridging Morphological Innovations and Sensor Performances

Glancing Angle Deposition (GLAD) has emerged as a versatile and powerful nanofabrication technique for developing next-generation gas sensors by enabling precise control over nanostructure geometry, porosity, and material composition. Through dynamic substrate tilting and rotation, GLAD facilitates the fabrication of highly porous, anisotropic nanostructures, such as aligned, tilted, zigzag, helical, and multilayered nanorods, with tunable surface area and diffusion pathways optimized for gas detection. This review provides a comprehensive synthesis of recent advances in GLAD-based gas sensor design, focusing on how structural engineering and material integration converge to enhance sensor performance. Key materials strategies include the construction of heterojunctions and core–shell architectures, controlled doping, and nanoparticle decoration using noble metals or metal oxides to amplify charge transfer, catalytic activity, and redox responsiveness. GLAD-fabricated nanostructures have been effectively deployed across multiple gas sensing modalities, including resistive, capacitive, piezoelectric, and optical platforms, where their high aspect ratios, tailored porosity, and defect-rich surfaces facilitate enhanced gas adsorption kinetics and efficient signal transduction. These devices exhibit high sensitivity and selectivity toward a range of analytes, including NO2, CO, H2S, and volatile organic compounds (VOCs), with detection limits often reaching the parts-per-billion level. Emerging innovations, such as photo-assisted sensing and integration with artificial intelligence for data analysis and pattern recognition, further extend the capabilities of GLAD-based systems for multifunctional, real-time, and adaptive sensing. Finally, current challenges and future research directions are discussed, emphasizing the promise of GLAD as a scalable platform for next-generation gas sensing technologies.

Chemistry↗

DOE OSTI2021

Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations

Multiscale simulations are a well-accepted way to bridge the length and time scales required for scientific studies with the solution accuracy achievable through available computational resources. Traditional approaches either solve a coarse model with selective refinement or coerce a detailed model into faster sampling, both of which have limitations. Here, we present a paradigm of adaptive, multiscale simulations that couple different scales using a dynamic-importance sampling approach. Our method uses machine learning to dynamically and exhaustively sample the phase space explored by a macro model using microscale simulations and enables an automatic feedback from the micro to the macro scale, leading to a self-healing multiscale simulation. As a result, our approach delivers macro length and time scales, but with the effective precision of the micro scale. Our approach is arbitrarily scalable as well as transferable to many different types of simulations. Overall, our method made possible a multiscale scientific campaign of unprecedented scale to understand the interactions of RAS proteins with a plasma membrane in the context of cancer research running over several days on Sierra, which is currently the second-most-powerful supercomputer in the world.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1987

Microgravity fluid management requirements of advanced solar dynamic power systems

The advanced solar dynamic system (ASDS) program is aimed at developing the technology for highly efficient, lightweight space power systems. The approach is to evaluate Stirling, Brayton and liquid metal Rankine power conversion systems (PCS) over the temperature range of 1025 to 1400K, identify the critical technologies and develop these technologies. Microgravity fluid management technology is required in several areas of this program, namely, thermal energy storage (TES), heat pipe applications and liquid metal, two phase flow Rankine systems. Utilization of the heat of fusion of phase change materials offers potential for smaller, lighter TES systems. The candidate TES materials exhibit large volume change with the phase change. The heat pipe is an energy dense heat transfer device. A high temperature application may transfer heat from the solar receiver to the PCS working fluid and/or TES. A low temperature application may transfer waste heat from the PCS to the radiator. The liquid metal Rankine PCS requires management of the boiling/condensing process typical of two phase flow systems.

Migra, Robert P.↗

NASA NTRS2013

CFD Analysis for Assessing the Effect of Wind on the Thermal Control of the Mars Science Laboratory Curiosity Rover

The challenging range of landing sites for which the Mars Science Laboratory Rover was designed, requires a rover thermal management system that is capable of keeping temperatures controlled across a wide variety of environmental conditions. On the Martian surface where temperatures can be as cold as -123 C and as warm as 38 C, the rover relies upon a Mechanically Pumped Fluid Loop (MPFL) Rover Heat Rejection System (RHRS) and external radiators to maintain the temperature of sensitive electronics and science instruments within a -40 C to 50 C range. The RHRS harnesses some of the waste heat generated from the rover power source, known as the Multi Mission Radioisotope Thermoelectric Generator (MMRTG), for use as survival heat for the rover during cold conditions. The MMRTG produces 110 W of electrical power while generating waste heat equivalent to approximately 2000 W. Heat exchanger plates (hot plates) positioned close to the MMRTG pick up this survival heat from it by radiative heat transfer. Winds on Mars can be as fast as 15 m/s for extended periods. They can lead to significant heat loss from the MMRTG and the hot plates due to convective heat pick up from these surfaces. Estimation of this convective heat loss cannot be accurately and adequately achieved by simple textbook based calculations because of the very complicated flow fields around these surfaces, which are a function of wind direction and speed. Accurate calculations necessitated the employment of sophisticated Computational Fluid Dynamics (CFD) computer codes. This paper describes the methodology and results of these CFD calculations. Additionally, these results are compared to simple textbook based calculations that served as benchmarks and sanity checks for them. And finally, the overall RHRS system performance predictions will be shared to show how these results affected the overall rover thermal performance.

wind↗

NASA NTRSDate not supplied

The Advanced Geared Turbofan 30,000 lbf – electrified (AGTF30-e): A Virtual Testbed for Electrified Aircraft Propulsion Research

Electrified Aircraft Propulsion (EAP) is a growing topic of research with the potential to shape the future of commercial air travel. Here, detailed mathematical models serve an essential role in developing understanding and evaluating different technologies and design concepts. The Advanced Geared Turbofan 30,000 lbf – electrified (AGTF30-e) is an open-source software package developed by the National Aeronautics and Space Administration (NASA). The AGTF30-e provides a realistic propulsion system model of a conceptual electrified advanced geared turbofan engine suitable for propelling a single-aisle commercial aircraft. Included with the engine model is a controller that provides representative dynamic performance across a full operating envelop. The model is meant to facilitate research studies and promote collaboration. It is envisioned for use in concept exploration studies, technology impact studies, and dynamics and controls studies. The engine model can be run in various modes of operation including boost and power extraction. It also has options for other electrification features and methods for engine shaft and electric machine integration. This paper documents the AGTF30-e and illustrates its use through various simulation scenarios.

AGTF30-e↗

DOE OSTI2022

Perovskite Sorbent Oxygen Separation Modeling with MFiX

This document chronicles the development and implementation of computational kinetic rate models that capture absorption and desorption characteristics of the National Energy Technology Laboratory (NETL) developed perovskite, Sr 1-x Ca x FeO 3-δ . Two paths to create accurate kinetic rates were followed: (1) an isothermal rate approach where thermogravimetric (TGA) data are recast as oxygen capacities through a pseudo-second order Lagergren equation (He et al., 2009); and (2) a more traditional Arrhenius approach where experimental data are fit with a power law model to derive associate activation energies (Bulfin et al., 2020a). For reference, the mathematics and associate experimental strategies that support these derivations are included in this report. In addition, computational fluid dynamics (CFD) models were developed to utilize both kinetic rate formulations and applied to simulate oxygen uptake and release in small scale scenarios. The program Multiphase Flow with interphase eXchanges (MFiX) was used to create: (1) discrete element method (DEM) simulations of a single tube of granular perovskite experiencing isothermal O 2 -absorption; and desorption and (2) two-fluid-model (TFM) non-isothermal simulations of perovskite O 2 -absorption and desorption tubes that share a wall. Conjugate heat transfer between steel walled tubes and the perovskite bed were managed with user-defined functions. As the project moves to simulating larger scale devices that will require more robust conjugate heat transfer methods, developed kinetic rates and associate methodologies have been recast for use in the ANSYS Fluent CFD program.

36 MATERIALS SCIENCE↗

NASA NTRS2022

Dayside Transient Phenomena and Their Impact on the Magnetosphere and Ionosphere

Dayside transients, such as hot flow anomalies, foreshock bubbles, magnetosheath jets, flux transfer events, and surface waves, are frequently observed upstream from the bow shock, in the magnetosheath, and at the magnetopause. They play a significant role in the solar wind-magnetosphere-ionosphere coupling. Foreshock transient phenomena, associated with variations in the solar wind dynamic pressure, deform the magnetopause, and in turn generates field-aligned currents (FACs) connected to the auroral ionosphere. Solar wind dynamic pressure variations and transient phenomena at the dayside magnetopause drive magnetospheric ultra low frequency (ULF) waves, which can play an important role in the dynamics of Earth’s radiation belts. These transient phenomena and their geoeffects have been investigated using coordinated in-situ spacecraft observations, spacecraft-borne imagers, ground-based observations, and numerical simulations. Cluster, THEMIS, Geotail, and MMS multi-mission observations allow us to track the motion and time evolution of transient phenomena at different spatial and temporal scales in detail, whereas ground-based experiments can observe the ionospheric projections of transient magnetopause phenomena such as waves on the magnetopause driven by hot flow anomalies or flux transfer events produced by bursty reconnection across their full longitudinal and latitudinal extent. Magnetohydrodynamics (MHD), hybrid, and particle-in-cell (PIC) simulations are powerful tools to simulate the dayside transient phenomena. This paper provides a comprehensive review of the present understanding of dayside transient phenomena at Earth and other planets, their geoeffects, and outstanding questions.

Bow shock↗

NASA NTRSDate not supplied

The Advanced Geared Turbofan 30,000 lb f – electrified (AGTF30-e): A Virtual Testbed for Electrified Aircraft Propulsion Research

Electrified Aircraft Propulsion (EAP) is a growing topic of research with the potential to shape the future of commercial air travel. Here, detailed mathematical models serve an essential role in developing understanding and evaluating different technologies and design concepts. The Advanced Geared Turbofan 30,000 lb f – electrified (AGTF30-e) is an open-source software package developed by the National Aeronautics and Space Administration (NASA). The AGTF30-e provides a realistic propulsion system model of a conceptual electrified advanced geared turbofan engine suitable for propelling a single-aisle commercial aircraft. Included with the engine model is a controller that provides representative dynamic performance across a full operating envelop. The model is meant to facilitate research studies and promote collaboration. It is envisioned for use in concept exploration studies, technology impact studies, and dynamics and controls studies. The engine model can be run in various modes of operation including boost and power extraction. It also has options for other electrification features and methods for engine shaft and electric machine integration. This paper documents the AGTF30-e and illustrates its use through various simulation scenarios.

AGTF30-e↗

DOE OSTI2022

Mitigation of Molten Salt Corrosion

The desire to increase the peak operational temperature of Concentrated Solar Power (CSP) plants to lower the levelized cost of CSP-derived electricity, has led to consideration of an earth-abundant, low-cost, thermally-stable, molten MgCl 2 -KCl-NaCl (40-40-20 mole%) salt for high-temperature thermal energy storage and heat transfer. The reliable, long-term containment of such a molten salt is challenging, however, due to the corrosion of cost-effective, high-temperature structural metal alloys in this salt (particularly if this salt is contaminated with oxygen-bearing species). This project has been focused on: i) development of equipment for evaluating corrosion kinetics in molten chlorides under well-controlled thermal, fluid dynamic, and atmospheric conditions at CSP-relevant temperatures, ii) use of such equipment to evaluate the influence of forced convection on corrosion kinetics (to determine the role of liquid phase diffusion on such corrosion), and iii) identifying a corrosion-mitigation strategy that can be industrially applied to achieve a projected annual corrosion ≤30 μm at CSP-relevant temperatures. The overall goals of this project have been: i) to understand the rate-limiting step(s) and associated kinetic laws governing corrosion in molten chlorides at 750°C, ii) to determine key operational parameters affecting the corrosion kinetics in molten salts, and iii) to demonstrate the tailoring of such parameters to appreciably reduce such corrosion.

14 SOLAR ENERGY↗

DOE OSTI2022

Advancing Post-Combustion CO 2 Capture through Increased Mass Transfer and Lower Degradation

The over-arching goal of the proposed project is to develop three techniques to enable aqueous post-combustion CO 2 capture technologies to meet the DOE performance and cost targets of 90% CO 2 capture, 95% purity, at a cost of less than $30/tonne CO 2 captured. This will be accomplished by the development of materials and processes to increase mass transfer in the absorber and reduce the environmental impacts. While constantly working to reduce the cost of CO 2 capture via solvent development and process & heat integration, increasing CO 2 mass transfer through development of custom dynamic packing materials and tuning solvent physical properties may offer a route to increased solvent capacity, lower energy consumption and reduced aerosol formation. The environmental concerns that have been identified in amine-based CO 2 capture systems, nitrosamines specifically, are another critical element that will be addressed in this project. The specific objectives of the project were to: 1) conduct detailed studies to understand how solvent physical properties and aerosol formation are impacted by additives; 2) quantify the CO 2 mass transfer improvement from the dynamic polarity packing in the absorber and the additive-modified solvent using the existing UK bench-scale CO 2 capture unit; 3) quantify the energy consumption savings associated with enhanced mass transfer; 4) quantify the benefits of the UK’s electrochemical cell to decompose nitrosamines; and 5) collect the necessary information/data to conduct a high-level TEA assessment of the proposed technologies. The project involved the fabrication and installation of customized dynamic polarity packing and an investigation into the understanding of the impact of chemical additives on solvent properties to increase CO 2 mass transfer in the absorber column, and lastly the design of an electrochemical cell to decompose nitrosamines in a water wash. After both systems were fabricated, they were tested at UK facilities, including on the bench-scale CO 2 capture unit under parametric and long-term operation.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2022

ECRAM Materials, Devices, Circuits and Architectures: A Perspective

Abstract Non‐von‐Neumann computing using neuromorphic systems based on two‐terminal resistive nonvolatile memory elements has emerged as a promising approach, but its full potential has not been realized due to the lack of materials and devices with the appropriate attributes. Unlike memristors, which require large write currents to drive phase transformations or filament growth, electrochemical random access memory (ECRAM) decouples the “write” and “read” operations using a “gate” electrode to tune the conductance state through charge‐transfer reactions, and every electron transferred through the external circuit in ECRAM corresponds to the migration of ≈1 ion used to store analogue information. Like static dopants in traditional semiconductors, electrochemically inserted ions modulate the conductivity by locally perturbing a host's electronic structure; however, ECRAM does so in a dynamic and reversible manner. The resulting change in conductance can span orders of magnitude, from gradual increments needed for analog elements, to large, abrupt changes for dynamically reconfigurable adaptive architectures. In this in‐depth perspective, the history of ECRAM, the recent progress in devices spanning organic, inorganic, and 2D materials, circuits, architectures, the rich portfolio of challenging, fundamental questions, and how ECRAM can be harnessed to realize a new paradigm for low‐power neuromorphic computing are discussed.

Talin, A. Alec↗

DOE OSTI2021

Rapidly ramp cryogenic air separation unit without loss of O2 product purity—application for low-carbon fossil-fuel plants

The rapid integration of intermittent renewable sources into the electricity grid is driving the need for low-carbon, fossil-fuel power plant capable of rapid ramping. Therefore, a cryogenic air separation unit (ASU) as part of low-carbon, fossil-fuel power plant should be capable of rapid ramping. However, highly integrated and nonlinear processes of the ASU would significantly restrict this rapid ramping. To overcome this fundamental issue, we study the basic dynamic process of a state-of-the-art double-column ASU. A flow-driven dynamic model was established in Aspen Plus Dynamics, assuming perfect flow controls, to capture the basic dynamics of ramping ASU. We find the vapor-liquid counter-current flow structure in the low-pressure column is critical to the air separation when rapidly ramping the ASU. This flow structure is established based on a complicated heat integration process. It is simplified as an apparent counter-current heat transfer process in this work, which greatly reduces the complexity for studying the dynamics of ASU. For keeping this basic flow structure, the heat integration is maintained as its heat duty follows the ASU load, through several basic feed-forward and feed-back controllers on the critical stream flowrates. Moreover, we find a fundamental issue of mismatched dynamics in the low-pressure column, resulting in a significant loss of O2 product purity when rapidly ramping down the ASU and an obvious fluctuation of O2 product purity. Based on these explorations, we propose a basic control method for rapidly ramping the ASU without loss of O2 product purity. Results show the ASU basic dynamic process successfully ramps at a rate up to 10%/min (40-100% load) while maintaining the O2 product purity within 95.2-95.6 mol%.

Cheng, Mao↗