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NASA NTRS2000

Exploiting the Temperature Dependence of Magnetic Susceptibility to Control Convection in Fundamental Studies of Solidification Phenomena

It is well known that convection is a dominant mass transport mechanism when materials are solidified on Earth's surface. This convection is caused by gradients in density (and therefore gravitational force) that are brought about by gradients in temperature, composition or both. Diffusion of solute is therefore dwarfed by convection and the study of fundamental parameters, such as dendrite tip shape and growth velocity in the absence of convection is nearly impossible. Significant experimental work has therefore been carried out in orbiting laboratories with the intent of minimizing convection by minimizing gravity. One of the best known experiments of this kind is the Isothermal Dendritic Growth Experiment (IDGE), supported by NASA. Naturally such experiments are costly and one objective of the present investigation is to develop an experimental method whereby convection can be- halted, in solidification and other experiments, on the surface. A second objective is to use the method to minimize convection resulting from the residual accelerations suffered by experiments in microgravity. The method to be used to minimize convection relies on the dependence of the magnetic susceptibility of a fluid on temperature or composition (whichever is driving convection). All materials experience a force when placed in a magnetic field gradient. The direction and magnitude of that force depend on the magnetic susceptibility of the material. Consequently the force will vary if the susceptibility varies with temperature or composition. With a magnetic field gradient in the right direction (typically upward) and of the right magnitude, this variation in the magnetic force can be made to exactly cancel the variation in the gravitational force. Expressed another way, normal buoyancy is exactly countered by a "magnetic buoyancy". To demonstrate the principle, a solution of MnC12 in water has been used. First the variation of the susceptibility of this paramagnetic solution with temperature and concentration was measured. Then a "cell", containing this solution and 50mm long by 15mm high by 155mm wide, was placed in a superconducting magnet at Marshall Space Flight Center. The magnetic field was measured at various positions within the bore of the magnet using a Hall effect probe. In this way, a position was found where the magnetic field gradient was predominantly upward; the magnitude of the gradient could then be adjusted by adjusting the current of the magnet. The ends of the cell consisted of machined copper blocks maintained at controlled temperatures by circulating water from constant temperature baths. The walls of the cell were of rectangular section glass tubing so that the cell contents could be seen. Velocities arising from thermal gradients within the cell were measured by particle image velocimetry (PIV). Particles used for this purpose were silver-coated hollow glass spheres of micrometers diameter and nearly the same density as the solution. A central vertical plane of the cell was illuminated by a laser beam passing through a cylindrical lens. Digital images of the particles were captured on a CCD camera and fed to a computer so that frame-to-frame movements of particles traveling with the fluid were captured. These images were employed to compute velocity maps using commercial PIV software. In a typical experiment the cold end of the cell was maintained at 10C and the warm end at 30 C. With no current in the magnet, i.e.- with natural -convection allowed to occur, the fluid was observed to circulate with an average speed of approximately 0.3 millimeters per second. It was visually apparent that this circulation was diminished as the current was increased. At currents of approximately 20A the flow was halted, to within the precision of the PIV measurements. At yet higher currents the convection was reversed with the hotter solution sinking and the cooler solution rising. At 40A this reversed convection had speeds averaging 0.43 millimeters per second. The measurements of susceptibility and density allow an estimate of the field gradient necessary to halt convection in the experiment. That estimate was 7.8T (squared) per meter and the convection was observed to halt in the magnet at a current giving 7.21T (squared) per meter from the magnetic field measurements. Calculations of the flow have been carried out using the computational fluid dynamics software FLUENT and show good agreement with the measurements.

Seybert, C. D.↗

DOE OSTI2023

QCD running couplings and effective charges

Here we discuss our present knowledge of $\alpha_s$, the fundamental running coupling or effective charge of Quantum Chromodynamics (QCD). A precise understanding of the running of $\alpha_s(Q^2) $ at high momentum transfer, $Q$, is necessary for any perturbative QCD calculation. Equally important, the behavior of $\alpha_s$} at low $Q^2$ in the nonperturbative QCD domain is critical for understanding strong interaction phenomena, including the emergence of mass and quark confinement. The behavior of $\alpha_s(Q^2)$ at all momentum transfers also provides a connection between perturbative and nonperturbative QCD phenomena, such as hadron spectroscopy and dynamics. We first sketch the origin of the QCD coupling, the reason why its magnitude depends on the scale at which hadronic phenomena are probed, and the resulting consequences for QCD phenomenology. We then summarize latest measurements in both the perturbative and nonperturbative domains. New theory developments include the derivation of the universal nonperturbative behavior of $\alpha_s(Q^2)$ from both the Dyson-Schwinger equations and light-front holography. We also describe theory advances for the calculation of gluon and quark Schwinger functions in the nonperturbative domain and the relation of these quantities to $\alpha_s$. We conclude by highlighting how the nonperturbative knowledge of $\alpha_s$ is now providing a parameter-free determination of hadron spectroscopy and structure, a central and long-sought goal of QCD studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2003

The Galileo Probe: How it Has Changed Our Understanding of Jupiter

The Galileo Mission to Jupiter, which arrived in December of 1995, provided the first study by an orbiter, and the first in-situ sampling via an entry probe, of an outer planet atmosphere. The rationale for an entry probe is that, even from an orbiter, remote sensing of the jovian atmosphere could not adequately retrieve the information desired. This paper provides a current summary of the most significant aspects of the data returned from the Galileo entry probe. As a result of the probe measurements, there has been a reassessment of our understanding of outer planet formation and evolution of the solar system. The primary scientific objective of the Galileo probe was to determine the composition of the jovian atmosphere, which from remote sensing remained either very uncertain, or completely unknown, with respect to several key elements. The probe found that the global He mass fraction is. significantly above the value reported from the Voyager Jupiter flybys but is slightly below the protosolar value, implying that there has been some settling of He to the deep jovian interior. The probe He measurements have also led to a reevaluation of the Voyager He mass fraction for Saturn, which is now determined to be much closer to that of Jupiter. The elements C, N, S, Ar, Kr, Xe were all found to have global abundances approximately 3 times their respective solar abundances. This result has raised a number of fundamental issues with regard to properties of planetesimals and the solar nebula at the time of giant planet formation. Ne, on the other hand, was found to be highly depleted, probably as the result of it being carried along with helium as helium settles towards the deep interior. The global abundance of O was not obtained by the probe because of the influence of local processes at the probe entry site (PES), processes which depleted condensible species, in this case H2O, well below condensation levels. Other condensible species, namely NH3 and H2S, were similarly affected but attained their deep equilibrium mixing ratios before the maximum depth sampled by the probe. Processes that might be capable of producing such effects on the condensibles are still under investigation. Measured isotopic ratios of noble gases and other heavy elements are solar, and (D + (Sup 3)He)/H is the same to within measurement uncertainties as in the local interstellar medium. No thick clouds were detected, and in particular no significant water cloud, but the PES location clearly affected the probe measurements of clouds. In fact, the probe data must be understood in the context of the location of the PES, which was within what is termed a 5 micron hot spot, a local clearing in the clouds that is bright near the 5 microns spectral region. The thermal structure at the PES was determined from approximately 1000 km above the 1 bar pressure level (10(exp -9 bars)) to 132 km 1 bar (22bars). The probe showed the atmosphere to have a generally sub-adiabatic temperature gradient (static stability) of = 0.1 K/km to as deep as the probe made measurements. In the upper atmosphere the probe derived a maximum positive vertical temperature gradient of approximately 5 K/km, and maximum temperature of = 900 K. The energy sources producing the warm upper atmosphere have yet to be completely identified. At first glance, Doppler tracking of the probe indicates that the long observed cloud level zonal winds extend to levels at least as deep as the probe made measurements. Zonal wind increases from = 80 m/s at pressures less than a bar to about 180 m/s near 5 bars, and remains approximately constant with depth thereafter. However, there is a question as to whether the winds measured from probe tracking are representative of the general wind field, or are considerably influenced by localized winds associated with the PES.

Young, Richard E.↗

NASA NTRS2012

GPM Mission Overview and U.S. Science Status

The Global Precipitation Measurement (GPM) Mission is an international satellite mission to unify and advance precipitation measurements from a constellation of research and operational sensors to provide "next-generation" precipitation products [1-2]. Water is fundamental to life on Earth. Knowing where and how much rain and snow falls globally is vital to understanding how weather and climate impact both our environment and Earth's water and energy cycles, including effects on agriculture, fresh water availability, and responses to natural disasters. Since rainfall and snowfall vary greatly from place to place and over time, satellites can provide more uniform observations of rain and snow around the globe than ground instruments, especially in areas where surface measurements are difficult. Relative to current global rainfall products, GPM data products will be characterized by: (l) more accurate instantaneous precipitation measurements (especially for light rain and cold-season solid precipitation), (2) more frequent sampling by an expanded constellation of domestic and international microwave radiometers including operational humidity sounders, (3) intercalibrated microwave brightness temperatures from constellation radiometers within a unified framework, and (4) physical-based precipitation retrievals from constellation radiometers using a common a priori cloud/hydrometeor database derived from GPM Core sensor measurements. The cornerstone of the GPM mission is the deployment of a Core Observatory in a unique 65 non-Sun-synchronous orbit to serve as a physics observatory and a reference standard to unify precipitation measurements by a constellation of dedicated and operational passive microwave sensors. The design of the GPM Core Observatory is an advancement of the Tropical Rainfall Measuring Mission (TRMM)'s highly successful rain-sensing package. The Core Observatory will carry a Ku/Ka-band Dual-frequency Precipitation Radar (DPR) and a multichannel (l0-183 GHz) GPM Microwave Radiometer (GMI). Since light rain and falling snow account for a significant fraction of precipitation occurrence in middle and high latitudes, the GPM instruments extend the capabilities of the TRMM sensors to detect falling snow, measure light rain, and provide, for the first time, quantitative estimates of microphysical properties of precipitation particles. The combined use of DPR and GMI measurements will place greater constraints on possible solutions to radiometer retrievals to improve the accuracy and consistency of precipitation retrievals from all constellation radiometers. The GMI uses 13 different microwave channels to observe energy from the different types of precipitation through clouds for estimating everything from heavy to light rain and for detecting falling snow. As the satellite passes over Earth, the GMI constantly scans a region 885 kilometers across. The Ball Aerospace and Technology Corporation built the GMI under contract with NASA Goddard Space Flight Center. The DPR provides three-dimensional information about precipitation particles derived from reflected energy by these particles at different heights within the cloud system. The two frequencies of the DPR also allow the radar to infer the sizes of precipitation particles and offer insights into a storm's physical characteristics. The Ka-band frequen~y scans across a region of 125 kilometers and is nested within the wider scan of the Ku-band frequency of 245 kilometers. The Japan Aerospace and Exploration Agency (JAXA) and Japan's National Institute of Information and Communications Technology (NICT) built the DPR. The Core Observatory satellite will fly at an altitude of 253 miles (407 kilometers) in a non-Sun-synchronous orbit that covers the Earth from 65 S to 65 N - from about the Antarctic Circle to the Arctic Circle. The GPM Core Observatory is being developed and tested at NASA Goddard Space Flight Center. Once complete, a Japanese H-lIA rocket will carry thPM Core Observatory into orbit from Tanegashima Island, Japan in 2014. The GPM constellation is envisioned to comprise 8 or more microwave sensors provided by partners, including both conical imagers and cross-track sounders. GPM is currently a partnership between NASA and the Japan Aerospace Exploration Agency (JAXA). Additional partnerships are under development to include microwave radiometers on the French-Indian Megha-Tropiques satellite and U.S. Defense Meteorological Satellite Program (DMSP) satellites, as well as humidity sounders or precipitation sensors on operational satellites such as the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP), NOAA-NASA Joint Polar Satellite System (JPSS) satellites, European MetOp satellites, and DMSP follow-on sensors. In addition, data from Chinese and Russian microwave radiometers may be available through international cooperation under the auspices of the Committee on Earth Observation Satellites (CEOS) and Group on Earth Observations (GEO). GPM's next-generation global precipitation data will lead to scientific advances and societal benefits in the following areas: (1) Improved knowledge of the Earth's water cycle and its link to climate change (2) New insights into precipitation microphysics, storm structures and large-scale atmospheric processes (3) Better understanding of climate sensitivity and feedback processes (4) Extended capabilities in monitoring and predicting hurricanes and other extreme weather events (5) Improved forecasting capabilities for natural hazards, including floods, droughts and landslides. (6) Enhanced numerical prediction skills for weather and climate (7) Better agricultural crop forecasting and monitoring of freshwater resources. An overview of the GPM mission concept and science activities in the United States, together with an update on international collaborations in radiometer intercalibration and ground validation, will be presented.

Hou, Arthur Y.↗

DOE OSTI2022

Emissions mitigation technology for advanced water-lean solvent-based CO 2 capture processes

This technical final report submitted to DOE/NETL presents all the research activities performed during the entirety of DE-FE0031660 project-Emissions Mitigation Technology for Advanced Water-Lean Solvent-Based CO 2 Capture Processes which spans from October 2018 through March 2022. RTI International has been conducting studies from fundamental and operational aspects to reduce the overall amine emissions from the advanced Water-Lean Solvent (WLS) systems, specifically RTI’s Non-Aqueous Solvent (NAS). This technical final report will highlight the key findings from project which align closely to the project objectives which are: Identify the contribution of vapor loss, entrainment, and aerosols to the overall emissions of water-lean systems; Determine the significance of CO 2 capture system operating parameters to the amine emissions; Develop an emissions model based on critical operating parameters; Evaluate the effectiveness of emissions mitigation devices to reduce the amine emissions to <1 ppm under flue coal-fired flue gas; and, Determine the contribution of the ECTs to the overall CO 2 capture cost. The following are the key findings based on numerous tests using both lab-scale setups and parametric testing performed at RTI’s Bench-scale Gas Absorption System (BsGAS). During the BP1, the aerosol generation system and monitoring equipment were installed at BsGAS to produce and determine the aerosol characteristics during the NAS CO 2 capture process. The aerosol produced by this setup produced aerosols with the peak diameter and concentration of 50 micron and 1.2E10 7 cm -3 , respectively. These particle sizes and concentrations are matched to those observed in the actual coal-fired power plant flue gases and expected to be found at the absorber inlet of the CO 2 capture system. Over 1,300 hours of parametric testing have been conducted to evaluate the impact of the aerosols and operating conditions during the CO 2 capture with NAS on the overall amine emissions in the treated flue gas. At the worse condition tested, the presence of the aerosols in the flue gas could increase the overall emissions by 10X compared to the baseline emissions from NAS’s vapor pressure. CO 2 capture rate was found to be a main factor impacting the overall emissions as well as aerosol size and concentrations in the absorber off-gas. The higher CO 2 capture rate, the higher amine emissions in the treated gas. The temperature difference between the temperature bulge seen in the absorber and the water wash temperature also impacts the particle growth where the larger the temperature difference, the more amine emissions from aerosols in the treated gas. The majority of the aerosols did not grow substantially in the system, and the particle concentrations remained nearly constant between the absorber inlet and wash outlet. Only a small portion of the particles were found to grow significantly. The high efficiency demister with mesh size of 5-10 micron can be installed to remove a portion of the aerosols from the gas stream leaving the water wash. Overall, these results from parametric testing have established the emission baseline and validate our assumption on the need of emission control technologies (ECT) in order to minimize the emissions from the baseline NAS CO 2 capture process. Over 2,000 of BsGAS operating hours was used to investigate a handful of process improvements which led to a selection of the vital few changes that effectively control the amine emissions. These process improvements are lime-coated-filters for absorber gas inlet, advanced demister at the top of the absorber, a second water wash with amine recovery unit were designed, installed, and tested at BsGAS at the end of BP1. The result showed that the NAS CO 2 capture process with these additional emission control devices could lower the amine emission in the treated gas to about 1 ppm using a simulated coal-fire flue gas stream. The main contributor in lowering the amine emission came from the second water wash with amine recovery unit where the amine concentration in the scrubbing water was kept below 2 wt% through a continuous amine removal via an adsorbent bed, resulting in a low amine vapor pressure. The adsorbent bed was regenerated via a direct steam regeneration and the recover amine was returned to the absorber to minimize wastewater and makeup amine. A flue gas generation system was designed and installed during the first half of BP2 to support the emission testing using a real coal-derived flue gas. The system is capable of generating both coal- and natural gas- derived flue gases with the composition of the gaseous species highly resemble to that of the power plant flue gases. The particulates detected in the coal-derived flue gas showed the mean diameter of 1 micron. The CO 2 capture operating was then proceed using the real coal-derived flue gas where the amine emission was controlled to be about 0-3 ppm for the total run time of about 200 hours. Similar testing was conducted with natural gas-derived flue gas and the result showed a highly amine emission of 30 ppm under the total run time of 200 hours. The Principal Component Analysis (PCA) and the Partial Least Squares Projection to Latent Structures (PLS) techniques were applied to the parametric testing data to derive a multivariate statistical model. The model was validated and trained with half of the data collected, and the predictive ability of the model was evaluated using the remaining half of the data. The resulting empirical model was capable of predicting the overall emissions from the NAS process without the ECTs with ±15% accuracy (average absolute deviation, AAD) in BP1. As more emission data were obtained under the real coal-flue gas in the BP2, the model incorporated these new set of data to reflect the final process configuration, operating parameters, and amine emission. This results in the updated empirical model predicting the amine emission from the NAS CO 2 capture process with 84% goodness-of-fit (R 2 ), 85% predictability (Q 2 ), and 15% AAD. The study evaluates the use of RTI’s Non-Aqueous Solvent technology for 90% CO 2 capture from a net 650 MWe pulverized coal power plant, downstream of the flue-gas desulfurization unit. The captured CO 2 has a purity of > 95% CO 2 , and is dried, compressed to 15.3 MPa (2,215 psia), ready for sequestration. The analysis uses Case B12B from the DOE Baseline study on Bituminous Coal, Revision 4 where the Cansolv CO 2 capture plant is replaced by the RTI CO 2 Capture plant. The CO 2 capture plant has been sized to capture >90% CO 2 from flue gas derived from a net 650 MWe supercritical pulverized coal power plant. The CO 2 capture plant is equipped with emission control technologies that limits the amine emissions to < 1 ppm. Two different cases were evaluated for the technoeconomic study. The key difference between the two cases is the regenerator pressure. In Case 1, the regenerator operates at 0.195 MPa (28.3 psia), whereas in Case 2, the regenerator pressure is 0.44 MPa (64 psia) thus removing the need for the first stage of compression of the eight-stage compression train. Results from the TEA are compared against the DOE reference cases for SCPC plant with and without CO 2 Capture (Case B12A and Case B12B of the DOE Baseline study, respectively). Case 2 with CO 2 regeneration at higher pressure results in the lower cost of CO 2 capture. The total capital cost of the capture process has been estimated using 2018 dollars in Aspen Process Economic Analyzer and was estimated to be $579 MM. The capture plant operation leads to a total parasitic power loss rate of 96 MWe, resulting in a decrease in pulverized coal power plant efficiency of 7.8% points. The resulting cost of electric power increases from 64.4 mills/kWh, for no capture, to 97.5 mills/kWh, with 90% capture, an increase of 51% in the COE. The cost of capturing 90% CO 2 was estimated to be $38.2/tonne-CO 2 , and meets the DOE target of $40/t-CO 2 . Emission control technologies (ECT) investigated in this project includes a second water wash with use of activated carbon beds for removal of amine from the wash water prior to recirculation in the water wash. These ECT allow operation of the CO 2 capture plant with < 1 ppm amine emissions with the treated flue gas and contributes to $2.4/t-CO 2 captured. Amine emissions derived from thermal and oxidative degradations were investigated under this project along with the emissions derived from aerosols for the NAS system. The thermally degraded of the lean NAS showed less than 4% decreased of the original total amine content in the NAS at 150 °C while the result obtained at 120 °C showed no drop in total amine content, suggesting that thermal degradation of the NAS is minimal. These results also suggested that the thermally degraded species are not likely formed and contributed to the emissions due to the low regeneration temperature of the NAS at 90-105 °C. The oxidative degradation, on the other hand, could become problematic as some of these oxidative degraded species were observed during the NAS-5 testing at National Carbon Capture Center (NCCC) and SINTEF in our previous project. The rapid screening of selected inhibitors suggested that oxidative degradation of NAS can be suppressed using thiol containing compounds in amounts of at least 1 mol%. The detailed mechanistic degradation pathway was conceived for a specific amine used in NAS formulation during BP2. he reduction of the nitrosamines caused by the NO x present in the flue gas was also examined. The study suggested that the thermo-chemical treatment of the NAS solvent would be a more effective and economically viable compared to removing NO x at the DCC.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2013

Analysis of Handling Qualities Design Criteria for Active Inceptor Force-Feel Characteristics

The force-feel system characteristics of the cyclic inceptors of most helicopters are set based on the characteristics of the mechanical components in the control system (mass, springs, friction dampers, etc.). For these helicopters, the force-feel characteristics typically remain constant over the entire flight envelope, with perhaps a trim release to minimize control forces while maneuvering. With the advent of fly-by-wire control systems and active inceptors in helicopters, the force-feel characteristics are now determined by the closed-loop response of the active inceptor itself as defined by the inertia, force/displacement gradient, damping, breakout force and detent shape configuration parameters in the inceptor control laws. These systems give the flexibility to dynamically prescribe different feel characteristics for different control modes or flight conditions, and the ability to provide tactile cueing to the pilot through the actively controlled side-stick or center-stick cyclic inceptor. For rotorcraft, a few studies have been conducted to assess the effects of cyclic force-feel characteristics on handling qualities in flight. An early study provided valuable insight into the static force-deflection characteristics (force gradient) and the number of axes controlled by the side-stick controller for the U.S. Army's Advanced Digital/Optical Control System (ADOCS) demonstrator aircraft [1]. The first of a series of studies providing insight on the inceptor dynamic force-feel characteristics was conducted on the NASA/Army CH-47B variable-stability helicopter [2]. This work led to a proposed requirement that set boundaries based on the cyclic natural frequency and inertia, with the stipulation of a lower damping ratio limit of 0.3 [3]. A second study was conducted by the Canadian Institute for Aerospace Research using their variable-stability Bell 205A helicopter [4]. This research suggested boundaries for stick dynamics based on natural frequency and damping ratio. While these two studies produced boundaries for acceptable/unacceptable stick dynamics for rotorcraft, they were not able to provide guidance on how variations of the stick dynamics in the acceptable region impact handling qualities. More recently, a ground based simulation study [5] suggested little benefit was to be obtained from variations of the damping ratio for a side-stick controller exhibiting high natural frequencies (greater than 17 rad/s) and damping ratios (greater than 2.0). A flight test campaign was conducted concurrently on the RASCAL JUH-60A in-flight simulator and the ACT/FHS EC-135 in flight simulator [6]. Upon detailed analysis of the pilot evaluations the study identified a clear preference for a high damping ratio and natural frequency of the center stick inceptors. Side stick controllers were found to be less sensitive to the damping. While these studies have compiled a substantial amount of data, in the form of qualitative and quantitative pilot opinion, a fundamental analysis of the effect of the inceptor force-feel system on flight control is found to be lacking. The study of Ref. [6] specifically concluded that a systematic analysis was necessary, since discrepancies with the assigned handling qualities showed that proposed analytical design metrics, or criteria, were not suitable. The overall goal of the present study is to develop a clearer fundamental understanding of the underlying mechanisms associated with the inceptor dynamics that govern the handling qualities using a manageable analytical methodology.

Malpica, Carlos A.↗

NASA NTRS1994

Mapping the dark matter in the NGC 5044 group with ROSAT: Evidence for a nearly homogeneous cooling flow with a cooling wake

The NGC 5044 group of galaxies was observed by the ROSAT Position Sensitive Proportional Counter (PSPC) for 30 ks during its reduced pointed phase (1991 July). Due to the relatively cool gas temperature in the group (kT = 0.98 +/- 0.02 keV) and the excellent photon statistics (65,000 net counts), we are able to determine precisely a number of fundamental properties of the group within 250 kpc of the central galaxy. In particular, we present model-independent measurements of the total gravitating mass, the temperature and abundance profiles of the gas, and the mass accretion rate. Between 60 and 250 kpc, the gas is nearly isothermal with T varies as r(exp (-0.13 +/- 0.03)). The total gravitating mass of the group can be unambiguously determined from the observed density and temperature profiles of the gas using the equation of hydrostatic equilibrium. Within 250 kpc, the gravitating mass is 1.6 x 10(exp 13) solar mass, yielding a mass-to-light ratio of 130 solar mass/solar luminosity. The baryons (gas and stars) comprise 12% of the total mass within this radius. At small radii, the temperature clearly increases outward and attains a maximum value at 60 kpc. The positive temperature gradient in the center of the group confirms the existence of a cooling flow. The cooling flow region extends well beyond the temperature maximum with a cooling radius between 100 and 150 kpc. There are two distinct regions in the cooling flow separated by the temperature maximum. In the outer region, the gas is nearly isothermal with a unifor m Fe abundance of approximately 80% solar, the flow is nearly homogeneous with dot-M= 20 to 25 solar mass/year, the X-ray contours are spherically symmetric, and rho(sub gas) varies as r(exp -1.6). In the inner region, the temperature profile has a positive gradient, the mass accretion rate decreases rapidly inward, the gas density profile is steeper, and the X-ray image shows some substrucutre. NGC 5044 is offset from the centroid of the outer X-ray contours indicating that the central galaxy may have a residual velocity with respect to the center of the group potential. There is also a linear X-ray feature with an extent of approximately 30 kpc with one end coincident with NGC 5044. The X-ray emission from this feature is softer than the ambient gas. We interpret this feature as a 'cooling wake' formed by the accreting gas as it is gravitationally focused into the wake of NGC 5044. One of the most surprising results of our PSPC observation is the discovery of a nearly homogeneous cooling flow. Prior results concerning the mass accretion profile in cooling flows indicate that dot-M varies as r. This relation implies that significant mass deposition occurs at large radii which generates an inhomogeneous flow. The mass accretion rate in the NGC 5044 group is essentially a constant beyond 40 kpc (well within the cooling radius). Significant mass deposition (a declining dot-M) does not commence until the gas accretes to within 40 kpc of the group center where the radiative cooling time is approximately equals 10(exp 9) year. Th is radius also corresponds to the temperature maximum, the break in gas density profile, and the onset of structure in the X-ray image. A Hubble constant of H(sub 0) = 50 km/sec/Mpc is used throughout the paper.

David, Laurence P.↗

NASA NTRS2024

Looking to the Future: A Call to Action for Advanced GNC Algorithm Verification and Validation

Future space systems will rely on autonomous Guidance, Navigation, and Control (GNC) functions to efficiently manage safe and precise self-directed operations in uncertain complex environments. Fundamentally, the GNC system plays a key role in mission performance and safety because it computes the ideal trajectory (Guidance), determines the actual trajectory (Navigation), and executes the ideal trajectory (Control) of a vehicle’s position and attitude. Our current GNC systems are highly automated and already have a high degree of complexity. As missions become more ambitious, GNC systems for launch vehicles and space platforms (e.g., spacecraft, probes, and landers) will require higher levels of performance and autonomous operation than previously encountered, for example, this includes GNC for optimizing aerodynamic and/or propulsion performance during planetary entry. This GNC Verification and Validation (V&V) paper highlights concerns with what undoubtedly will be a trend towards increased complexity as fully autonomous GNC systems are developed for future space missions. Clearly, complex GNC systems pose challenges in the prelaunch V&V phase, which is a relatively expensive part of a mission’s life cycle. Essentially the V&V phase is focused on checking that the system effectively meets all the design and operational requirements for the mission. The authors of this paper (i.e., the Inter-Agency Working Group of GNC subject matter experts) focused on this fundamental question over the past few years: Will the GNC engineering community of practice be sufficiently prepared to perform the necessary V&V on evolving GNC architectures that are driven by very demanding requirements for autonomy, resiliency, reconfigurability, adaptability, and mission cost-benefit balance? It is the viewpoint of our Inter-Agency team that the GNC V&V approaches and processes needed to address the next generation of complex GNC systems, which likely will employ various forms of modern GNC technology, are not currently established to the level the community will need in the future. While researchers and practitioners have made some progress in developing new GNC V&V methods for modern GNC systems, a good deal of work remains to be done to codify such methods in a comprehensive and systematic manner. Thus, the Inter-Agency team’s partner organizations [the National Aeronautics and Space Administration (NASA), the European Space Agency (ESA), the National Centre for Space Studies (CNES), the German Aerospace Center (DLR), the French Aerospace Lab (ONERA), and ISAE-SUPAERO] have conducted preliminary investigations into advancing GNC V&V techniques, which resulted in the identification of the need for education, new V&V tools, and benchmark problems for the GNC community. The necessary proactive steps to be taken to meet the challenges and fill the gaps in GNC V&V are summarized in this paper. The first steps include identifying advanced analysis tools, developing a GNC V&V roadmap, and expanding education and training programs for GNC practitioners. This paper is a call to action and proposes a comprehensive set of recommended actions for all our stakeholders: space agencies, researchers, and industry.

Samir Bennani↗

DOE OSTI2026

Isolating solvent–solute hydrogen bonding interactions via 2D IR solvation shell spectroscopy

The solvation shell around a solute is a fundamental feature of liquid-phase solutions, determining the behavior and properties of both the solute and the overall solution. Direct experimental measurements of the solvation shell properties are challenging due to the strong signals generated from the bulk solvent, which overwhelm the small contribution of the solvation shell. Here, we use ultrafast two dimensional infrared (2D IR) spectroscopy and intermolecular cross-peaks to isolate the IR absorption spectrum of methanol molecules in the solvation shell surrounding the solute N-methylacetamide. We demonstrate that the intermolecular coupling between the solvent and solute vibrations is indirectly mediated by a low-frequency hydrogen-bonding mode, suggesting an important mechanism for anharmonic coupling induced by hydrogen bonds. From the relative frequency shifts and cross-peak anisotropy, we find that methanol molecules surrounding N-methylacetamide form stronger and distinctly oriented hydrogen bonds than those in the bulk solvent. Here, we also compare these results with the solvent spectra of the solute N,N-dimethylacetamide to investigate how solute structural changes alter the solvation shell and the contribution of N–H hydrogen bond donation. Our results are supported by molecular dynamics simulations, which provide detailed insights into the hydrogen-bonding distributions. Through these results, we demonstrate 2D solvation shell spectroscopy to be a valuable method for investigating solvation structures and dynamics without interference from the bulk solvent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Fundamental Studies of Bifunctional Catalysts for Tandem Reactions

During the past few years of our funding from DOE Basic Energy Sciences, we have focused on the catalytic conversion of biomass-derived 5-hydroxymethyl furfural (HMF) as a platform molecule for sustainable synthesis of value-added chemicals. The combination of the diene and aldehyde functionalities in HMF enables catalytic production of acetalized HMF derivatives with diol or epoxy reactants to allow reversible synthesis of norcantharimide derivatives upon Diels-Alder reaction with maleimides. Whereas the electron-withdrawing nature of aldehyde group inhibits the reactivity of diene group in HMF to undergo Diels-Alder reactions with dienophiles, by converting the aldehyde group in HMF to an electron-donating hydroxyl group, HMF can append maleimide-based chemicals through Diels-Alder coupling. Acetalization of HMF not only produces an electron-rich diene for Diels-Alder reaction, but it also alters the reversibility of acetal formation and thereby allows for the controlled release of chemicals by hydrolysis. Therefore, we synthesized various norcantharimide derivatives from biomass-derived HMF by acetalization over an acid catalyst, Amberlyst-15, followed by Diels-Alder reaction with maleimide. The norcantharimides release the starting materials by retro Diels-Alder reaction that is triggered by acetal hydrolysis under acidic (≤pH 3) conditions. In subsequent work, we explored the synthesis and properties of functional polyurethanes and polyesters with tunable properties from biomass-derived (HMF)-Acetone-HMF (HAH) monomers. HAH can be selectively hydrogenated over Cu and Ru catalysts to produce partially-hydrogenated HAH (PHAH) and fully-hydrogenated HAH (FHAH). HAH contains functional groups, including hydroxyl, furan, enone, and ketone functionalities, that can be exploited to further tune the polymer properties. The π-electron conjugation between the enone and furan groups in HAH monomer stabilizes the furan group to prevent the uncontrolled degradation of furans during reactions, such as etherification. Therefore, HAH is a renewable monomer that can be used to synthesize polymers, having high molecular weight, symmetric functionalities, an inexpensive production price, and being derived from renewable resources without competition with food resources. We demonstrated the synthesis of functional polyurethanes and a renewable polyester from HAH-derived monomers, and 4,4’-methylenebis(phenyl isocyanate) (MDI). We showed that it is essential to be able to selective hydrogenate C=C double bonds in HAH to be able to achieve effective Diels Alder reactions of the furan ring. Therefore, we studied the hydrogenation at temperatures from 313 – 393 K of HAH over Pd, Ru, and Cu based catalysts. HAH was selectively hydrogenated to produce partially-hydrogenated monomers (PHAH) over Cu and Ru catalysts and to fully-hydrogenated HAH monomers (FHAH) over the Ru catalyst. Pd based catalysts yielded a mixture of partially and fully hydrogenated monomers. Reaction kinetics models were employed to quantify the kinetic behavior for hydrogenation over Ru, Cu, and Pd catalysts. A 5-step pathway exhibited over Pd and Ru catalysts consists of both series and parallel reaction steps, where HAH is both converted to fully hydrogenated products sequentially via series reactions of partially hydrogenated intermediates, as well as converted directly in parallel reactions to form the fully hydrogenated products. In contrast, a 3-step pathway over the Cu catalyst consists only of the consecutive reaction steps, where the final product was formed via series reactions of intermediate products. Additionally, reaction over the Cu catalyst did not hydrogenate the furan rings of the HAH molecule and yielded a different final product than those hydrogenation over Pd and Ru catalysts. Using the results from our detailed reaction kinetics studies, we developed universal conditions for the maximum production of the various hydrogenated products for both batch and plug flow systems. In subsequent work, we employed reaction schemes to optimize the yields of products from selective hydrogenations of HAH in isopropanol solvent and in the presence of liquid water. Reaction schemes consisting of 7, 9, and 11 steps were examined to describe the rates of formation of the observed products and reaction intermediates for hydrogenation of HAH over Ru and Pd catalysts, and a 3-step scheme was studied over Cu catalysts. Rate constants and activation energies were calculated using these reaction schemes, and we then apply these reaction schemes to explore the effects of water addition on the hydrogenation pathways. The effects of water addition to isopropanol (IPA) solvents on the hydrogenation of HAH were markedly different over Pd, Ru, and Cu catalysts. Over the Pd catalyst, the addition of water to IPA increased hydrogenation rates and promoted hydrogenation of furan rings. The addition of water to IPA yielded significant carbon losses over the Ru catalyst, and slowed hydrogenation steps over Cu, while significantly inhibiting hydrogenation of the ketone group. This behavior opened routes toward increased production rates of PHAH=O (a partially hydrogenated form of HAH containing a C=O bond), a product in which the diene groups of the furan rings were not hydrogenated. Addition of water also allowed increased feed concentrations of HAH that were previously not possible in pure IPA solvents.

09 BIOMASS FUELS↗

DOE OSTI2025

Even Higher-Level Synthesis: An Exploration of AI Hardware Accelerators using HLS4ML

With the rise of artificial intelligence, the popularization of deep learning, and a constantly evolving industry, the demand for flexible and efficient tools has never been greater. As algorithms grow more complex, their runtime and energy consumption increase exponentially. Customized hardware accelerators, long used for specific mathematical operations, remain essential for managing modern applications' computational and power demands. Hardware accelerators can speed up complex computations by orders of magnitude, but their manual design and verification processes are often challenging and time-consuming. High-Level Synthesis (HLS) provides a solution by transforming high-level algorithm descriptions, typically written in C++ or SystemC, into synthesizable RTL suitable for hardware implementation. This approach reduces development time for RTL engineers while offering flexibility beyond what traditional handwritten RTL can provide. We extended this capability to the machine-learning domain with the open-source framework hls4ml, which allows neural networks trained in Python frameworks like Tensorflow or PyTorch to be synthesized into efficient hardware representations for the traditional FPGA and ASIC flows. This breakthrough addresses the growing need for reduced design turnaround and easy verification of ML hardware accelerators with low latency and power efficiency constraints. During this tutorial, we will demonstrate how Python complements HLS by simplifying the ML design process, bridging the gap between software and hardware development. Attendees will explore how we translate neural networks modeled in Python into fixed-point C++ models suitable for HLS workflows. We will dive into strategies like Value-Range Analysis and Quantization-Aware Training, which optimize these designs for deployment and evaluate their accuracy, power consumption, and energy efficiency. To exemplify these concepts, experts from Fermilab will share their experiences applying this technology to high-energy physics experiments, where real-time, low-latency processing is critical. Over the years, Fermilab engineers have demonstrated how deep neural networks, optimized for hardware using hls4ml, can meet the stringent requirements of trigger systems at the CERN Large Hadron Collider. These systems rely on rapid decision-making to process immense data volumes while retaining only the most relevant events for further analysis. The application of hls4ml has also been extended to innovative technologies like smart pixel arrays. These smart pixels integrate ML inference capabilities directly into sensor devices, enabling localized data processing at the pixel level. This approach drastically reduces the need to transmit raw data to external processing units, significantly decreasing power consumption and latency. By embedding neural networks within the pixel architecture, the smart pixels can identify and prioritize relevant data in real time, providing a highly efficient solution for edge computing in scenarios such as particle detectors and imaging systems. Fermilab's work highlights the potential of hardware-accelerated ML in scenarios where both speed and power efficiency are mission-critical. Through this tutorial, attendees will gain valuable insights into the challenges and solutions of deploying ML in hardware. Understanding how HLS and hls4ml streamline the development of neural network-based hardware accelerators is fundamental for the industry's future. Participants will learn how these technologies are shaping the future of AI and scientific computing.

Di Guglielmo, Giuseppe [Fermilab]↗

NASA NTRS2000

A Collaborative Analysis Tool for Integrated Hypersonic Aerodynamics, Thermal Protection Systems, and RBCC Engine Performance for Single Stage to Orbit Vehicles

Presented is a computer-based tool that connects several disciplines that are needed in the complex and integrated design of high performance reusable single stage to orbit (SSTO) vehicles. Every system is linked to every other system, as is the case of SSTO vehicles with air breathing propulsion, which is currently being studied by NASA. An RBCC propulsion system integrates airbreathing and rocket propulsion into a single engine assembly enclosed within a cowl or duct. A typical RBCC propulsion system operates as a ducted rocket up to approximately Mach 3. Then there is a transition to a ramjet mode for supersonic-to-hypersonic acceleration. Around Mach 8 the engine transitions to a scramjet mode. During the ramjet and scramjet modes, the integral rockets operate as fuel injectors. Around Mach 10-12 (the actual value depends on vehicle and mission requirements), the inlet is physically closed and the engine transitions to an integral rocket mode for orbit insertion. A common feature of RBCC propelled vehicles is the high degree of integration between the propulsion system and airframe. At high speeds the vehicle forebody is fundamentally part of the engine inlet, providing a compression surface for air flowing into the engine. The compressed air is mixed with fuel and burned. The combusted mixture must be expanded to an area larger than the incoming stream to provide thrust. Since a conventional nozzle would be too large, the entire lower after body of the vehicle is used as an expansion surface. Because of the high external temperatures seen during atmospheric flight, the design of an airbreathing SSTO vehicle requires delicate tradeoffs between engine design, vehicle shape, and thermal protection system (TPS) sizing in order to produce an optimum system in terms of weight (and cost) and maximum performance. To adequately determine the performance of the engine/vehicle, the Hypersonic Flight Inlet Model (HYFIM) module was designed to interface with the RBCC engine model. HYFIM performs the aerodynamic analysis of forebodies and inlet characteristics of RBCC powered SSTO launch vehicles. HYFIM is applicable to the analysis of the ramjet/scramjet engine operations modes (Mach 3-12), and provides estimates of parameters such as air capture area, shock-on-lip Mach number, design Mach number, compression ratio, etc., based on a basic geometry routine for modeling axisymmetric cones, 2-D wedge geometries. HYFIM also estimates the variation of shock layer properties normal to the forebody surface. The thermal protection system (TPS) is directly linked to determination of the vehicle moldline and the shaping of the trajectory. Thermal protection systems to maintain the structural integrity of the vehicle must be able to mitigate the heat transfer to the structure and be lightweight. Herein lies the interdependency, in that as the vehicle's speed increases, the TPS requirements are increased. And as TPS masses increase the effect on the propulsion system and all other systems is compounded. The need to analyze vehicle forebody and engine inlet is critical to be able to design the RBCC vehicle. To adequately determine insulation masses for an RBCC vehicle, the hypersonic aerodynamic environment and aeroheating loads must be calculated and the TPS thicknesses must be calculated for the entire vehicle. To accomplish this an ascent or reentry trajectory is obtained using the computer code Program to Optimize Simulated Trajectories (POST). The trajectory is then used to calculate the convective heat rates on several locations on the vehicles using the Miniature Version of the JA70 Aerodynamic Heating Computer Program (MINIVER). Once the heat rates are defined for each body point on the vehicle, then insulation thicknesses that are required to maintain the vehicle within structural limits are calculated using Systems Improved Numerical Differencing Analyzer (SINDA) models. If the TPS masses are too heavy for the performance of the vehicle the process may be repeated altering the trajectory or some other input to reduce the TPS mass. E-PSURBCC is an "engine performance" model and requires the specification of inlet air static temperature and pressure as well as Mach number (which it pulls from the HYFIM and POST trajectory files), and calculates the corresponding stagnation properties. The engine air flow path geometry includes inlet, a constant area section where the rocket is positioned, a subsonic diffuser, a constant area afterburner, and either a converging nozzle or a converging-diverging nozzle. The current capabilities of E-PSURBCC ejector and ramjet mode treatment indicated that various complex flow phenomena including multiple choking and internal shocks can occur for combinations of geometry/flow conditions. For a given input deck defining geometry/flow conditions, the program first goes through a series of checks to establish whether the input parameters are sound in terms of a solution path. If the vehicle/engine performance fails mission goals, the engineer is able to collaboratively alter the vehicle moldline to change aerodynamics, or trajectory, or some other input to achieve orbit. The problem described is an example of the need for collaborative design and analysis. RECIPE is a cross-platform application capable of hosting a number of engineers and designers across the Internet for distributed and collaborative engineering environments. Such integrated system design environments allow for collaborative team design analysis for performing individual or reduced team studies. To facilitate the larger number of potential runs that may need to be made, RECIPE connects the computer codes that calculate the trajectory data, aerodynamic data based on vehicle geometry, heat rate data, TPS masses, and vehicle and engine performance, so that the output from each tool is easily transferred to the model input files that need it.

Stanley, Thomas Troy↗

DOE OSTI2026

The Dark Energy Survey supernova program: a reanalysis of cosmology results and evidence for evolving dark energy with an updated Type Ia supernova calibration

We present improved cosmological constraints from a re-analysis of the Dark Energy Survey (DES) 5-year sample of Type Ia supernovae (DES-SN5YR). This re-analysis includes an improved photometric cross-calibration, recent white dwarf observations to cross-calibrate between DES and low-redshift surveys, retraining the salt3 light-curve model and fixing a numerical approximation in the host-galaxy colour law. Our fully recalibrated sample, which we call DES-Dovekie, comprises ~1600 likely Type Ia SNe from DES and ~200 low-redshift SNe from other surveys. With DES-Dovekie, we obtain Ω m = 0.330 ± 0.015 in flat Lambda-cold dark matter (⁠ΛCDM) which changes Ω m by –0.022 compared to DES-SN5YR. Combining DES-Dovekie with cosmic microwave background data from Planck, Atacama Cosmology Telescope, and South Pole Telescope and the DESI DR2 measurements in a flat CDM cosmology, we find ω 0 = –0.803 ± 0.054 and ω a = –0.72 ± 0.21⁠. Our results hold a significance of 3.2σ, reduced from 4.2σ for DES-SN5YR, to reject the null hypothesis that the data are compatible with the cosmological constant. This significance is equivalent to a Bayesian model preference odds of approximately 5:1 in favour of the flat ω 0 ω a CDM model. Using generally accepted thresholds for model preference, our updated data exhibits only a weak preference for evolving dark energy.

dark energy↗

DOE OSTI2025

The Dark Energy Survey Supernova Program: an updated measurement of the Hubble constant using the inverse distance ladder

We measure the current expansion rate of the Universe, Hubble’s constant $H_0$, by calibrating the absolute magnitudes of supernovae to distances measured by baryon acoustic oscillations (BAO). This ‘inverse distance ladder’ technique provides an alternative to calibrating supernovae using nearby absolute distance measurements, replacing the calibration with a high-redshift anchor. We use the recent release of 1829 supernovae from the Dark Energy Survey spanning $0.01\lt z\lt 1.13$ anchored to the recent baryon acoustic oscillation measurements from Dark Energy Spectroscopic Instrument (DESI) spanning $0.30 \lt z_{\mathrm{eff}}\lt 2.33$. To trace cosmology to $z=0$, we use the third-, fourth-, and fifth-order cosmographic models, which, by design, are agnostic about the energy content and expansion history of the universe. With the inclusion of the higher redshift DESI-BAO data, the third-order model is a poor fit to both data sets, with the fourth-order model being preferred by the Akaike Information Criterion. Using the fourth-order cosmographic model, we find $H_0=67.19^{+0.66}_{-0.64}\mathrm{~km} \mathrm{~s}^{-1} \mathrm{~Mpc}^{-1}$, in agreement with the value found by Planck without the need to assume Flat-$\Lambda$CDM. However, the best-fitting expansion history differs from that of Planck, providing continued motivation to investigate these tensions.

79 ASTRONOMY AND ASTROPHYSICS↗