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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Laboratory for Atmospheres Instrument Systems Report

Studies of the atmospheres of our solar system's planets including our own require a comprehensive set of observations, relying on instruments on spacecraft, aircraft, balloons, and on the surface. These instrument systems perform one or both of the following: 1) provide information leading to a basic understanding of the relationship between atmospheric systems and processes, and 2) serve as calibration references for satellite instrument validation. Laboratory personnel define requirements, conceive concepts, and develop instrument systems for spaceflight missions, and for balloon, aircraft, and ground-based observations. Balloon and airborne platforms facilitate regional measurements of precipitation, cloud systems, and ozone from high-altitude vantage points, but still within the atmosphere. Such platforms serve as stepping-stones in the development of space instruments. Satellites provide nearly global coverage of the Earth with spatial resolutions and repetition rates that vary from system to system. The products of atmospheric remote sensing are invaluable for research associated with water vapor, ozone, trace gases, aerosol particles, clouds, precipitation, and the radiative and dynamic processes that affect the climate of the Earth. These parameters also provide the basic information needed to develop models of global atmospheric processes and weather and climate prediction. Laboratory scientists also participate in the design of data processing algorithms, calibration techniques, and the data processing systems.

Platnick, Steven E.↗
NASA NTRS1997

Noise from Supersonic Coaxial Jets: Normal Velocity Profile - Part 2

Instability waves have been established as noise generators in supersonic jets. Recent analysis of these slowly diverging jets has shown that these instability waves radiate noise to the far field when the waves have components with phase velocities that are supersonic relative to the ambient speed of sound. This instability wave noise generation model has been applied to supersonic jets with a single shear layer and is now applied to supersonic coaxial jets with two initial shear layers. In this paper the case of coaxial jets with normal velocity profiles is considered, where the inner jet stream velocity is higher than the outer jet stream velocity. To provide mean flow profiles at all axial locations, a numerical scheme is used to calculate the mean flow properties. Calculations are made for the stability characteristics in the coaxial jet shear layers and the noise radiated from the instability waves for different operating conditions with the same total thrust, mass flow and exit area as a single reference jet. The effects of changes in the velocity ratio, the density ratio and the area ratio are each considered independently.

Dahl, M. D.↗
DOE OSTI2025

Two-dimensional mapping of absolute OH densities in an atmospheric pressure plasma effluent via planar laser-induced fluorescence: effects of He/H 2 O and He/O 2 mixtures in N 2 and air, with and without solid targets

Planar laser-induced fluorescence (LIF) was employed to measure the absolute density of hydroxyl radicals (OH) in the effluent of the COST Reference Microplasma Jet for two feed gas mixtures: He/H 2 O and He/O 2 . Experiments were conducted with the effluent propagating into air and N 2 environments. For the He/H 2 O case, measurements were also performed with the effluent impinging on a solid target at varying distances from the jet nozzle. Calibration of the OH-LIF signal from the COST-Jet was achieved by comparing it to a reference signal generated by the photofragmentation of H 2 O 2 . Results demonstrated that OH densities were sustained longer when the effluent propagates in a nitrogen environment compared to air, particularly with water added to the feed gas. The broader OH distribution in N 2 suggests slower consumption due to the absence of oxygen, which accelerates OH depletion in air via reactions involving O 2 and HO 2 . Even when water was not added to the feed, as in the He/O 2 case, appreciable OH densities were observed, due to gas impurities and reactive species interactions with atmospheric humidity, forming reaction fronts that delineate the gas flow. Two-dimensional fluid dynamics simulations elucidated the influence of atmospheric gas entrainment and solid targets on the OH distribution. Experimental trends were further compared with a zero-dimensional chemistry model to explore OH production and consumption mechanisms in air and nitrogen environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

SU-E-T-54: Benefits of Biological Cost Functions

Purpose: To verify the benefits of the biological cost functions. Methods: TG166 patients were used for the test case scenarios. Patients were planned using Monaco V5.0 (CMS/Elekta, St.Louis, MO) Monaco has 3 biological and 8 physical CFs. In this study the plans were optimized using 3 different scenarios. 1- Biological CFs only 2-Physical CFs only 3- Combination of Physical and Biological CFsMonaco has 3 biological CFs. Target EUD used for the targets, derived from the poisson cell kill model, has an α value that controls the cold spots inside the target. α values used in the optimization were 0.5 and 0.8. if cold spots needs to be penalized α value increased. Serial CF: it's called serial to mimic the behaviour of the serial organs, if a high k value like 12 or 14 is used it controls the maximum dose. Serial CF has a k parameter that is used to shape the whole dvh curve. K value ranges between 1–20. k:1 is used to control the mean dose, lower k value controls the mean dose, higher k value controls the higher dose, using 2 serial CFs with different k values controls the whole DVH. Paralel CF controls the percentage of the volume that tolerates higher doses than the reference dose to mimic the behaviour of the paralel organs. Results: It was possible to achive clinically accepted plans in all 3 scenarios. The benefit of the biological cost functions were to control the mean dose for target and OAR, to shape the DVH curve using one EUD value and one k value simplifies the optimization process. Using the biological CFs alone, it was hard to control the dose at a point. Conclusion: Biological CFs in Monaco doesn't require the ntcp/tcp values from the labs and useful to shape the whole dvh curve. I work as an applications support specialist for Elekta and I am a Ph.D. Student in Istanbul University for radiation therapy physics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Multiple Lines of Evidence

This paper discusses the process of identifying factors that influence the contamination level of a given decision area and then determining the likelihood that the area remains unacceptable. This process is referred to as lines of evidence. These lines of evidence then serve as inputs for the stratified compliance sampling (SCS) method, which requires a decision area to be divided into strata based upon contamination expectations. This is done in order to focus sampling efforts more within stratum where contamination is more likely and to use the domain knowledge about these likelihoods of the stratum remaining unacceptable to buy down the number of samples necessary, if possible. Two different building scenarios were considered as an example (see Table 3.1). SME expertise was elicited concerning four lines of evidence factors (see Table 3.2): 1) amount of contamination that was seen before decontamination, 2) post-decontamination air sampling information, 3) the applied decontaminant information, and 4) the surface material. Statistical experimental design and logistic regression modelling were used to help determine the likelihood that example stratum remained unacceptable for a given example scenario. The number of samples necessary for clearance was calculated by applying the SCS method to the example scenario, using the estimated likelihood of each stratum remaining unacceptable as was determined using the lines of evidence approach. The commonly used simple random sampling (SRS) method was also used to calculate the number of samples necessary for clearance for comparison purposes. The lines of evidence with SCS approach resulted in a 19% to 43% reduction in total number of samples necessary for clearance (see Table 3.6). The reduction depended upon the building scenario, as well as the level of percent clean criteria. A sensitivity analysis was also performed showing how changing the estimated likelihoods of stratum remaining unacceptable affect the number of samples necessary. In conclusion, using the lines of evidence approach with the SCS method can reduce sample sizes when SME are able to identify factors that reduce the likelihood that an area remain unacceptable.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Weak lensing in DES Y3: redshift distributions, shape catalogue, and mass mapping

The size of galaxy surveys have rapidly escalated with time, growing from thousands of galaxies of the first pioneering surveys to current and future surveys (DES, KiDS, HSC, LSST, Euclid, WFIRST), which map (or plan to map) a few hundreds millions of galaxies. These ambitious programs have the potential to answer many open questions in Cosmology (or, depending on their results, to open new exciting scenarios, involving new physics beyond the standard cosmological model and the standard model of particle physics). In particular, this thesis focuses on the first three years of data from the Dark Energy Survey (DES Y3), which comprises 100 million galaxies observed in 5 different optical bands over 5000 square degrees of the southern hemisphere. DES and the data set used in this thesis are discussed in detail in Chapter 3, which together with Chapter 1 and 2 constitutes Part I of this thesis. The scientifically positive outcome of DES and other photometric galaxy surveys goes h and in h and with a supreme understanding of the data, of the observational systematics affecting the measurements, and of the limits of the theoretical modelling of the observables. One of the main challenge of galaxy photometric surveys like DES is to correctly estimate the distance to the galaxies. Photometric surveys observe the galaxies in a limited number of broad optical bands, and the estimate of their \textit{redshifts} is somewhat uncertain, which constitutes one of the main limiting factor of their cosmological analyses. Part II and its Chapter 4 are devoted to a new auxiliary technique recently developed that allows to infer (or calibrate) redshift distributions exploiting cross-correlation with small reference samples with secure redshifts. The so called ``clustering-redshift'' method is discussed in depth, as well as its role in the overall DES Y3 redshift calibration strategy. Part III and Chapter 5 are devoted to another key aspect of photometric surveys, that enables the stu dy of weak gravitational lensing: the shape catalogue. The official DES Y3 shape catalogue is presented, together with all the systematic tests performed to validate it such that it can be considered science-ready. Last, part IV focuses on how to use weak gravitational lensing and the DES Y3 shape catalogue to create weak lensing mass maps, i.e., maps of the mass distribution of the Universe. Chapter 6 discusses different map making techniques, whereas Chapter 7 presents a simulated cosmological analysis using the high order moments of the mass maps.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2006

Space and Ground Trades for Human Exploration and Wearable Computing

Human exploration of the Moon and Mars will present unique trade study challenges as ground system elements shift to planetary bodies and perhaps eventually to the bodies of human explorers in the form of wearable computing technologies. This presentation will highlight some of the key space and ground trade issues that will face the Exploration Initiative as NASA begins designing systems for the sustained human exploration of the Moon and Mars, with an emphasis on wearable computing. We will present some preliminary test results and scenarios that demonstrate how wearable computing might affect the trade space noted below. We will first present some background on wearable computing and its utility to NASA's Exploration Initiative. Next, we will discuss three broad architectural themes, some key ground and space trade issues within those themes and how they relate to wearable computing. Lastly, we will present some preliminary test results and suggest guidance for proceeding in the assessment and creation of a value-added role for wearable computing in the Exploration Initiative. The three broad ground-space architectural trade themes we will discuss are: 1. Functional Shift and Distribution: To what extent, if any, should traditional ground system functionality be shifted to, and distributed among, the Earth, Moon/Mars, and the human. explorer? 2. Situational Awareness and Autonomy: How much situational awareness (e.g. environmental conditions, biometrics, etc.) and autonomy is required and desired, and where should these capabilities reside? 3. Functional Redundancy: What functions (e.g. command, control, analysis) should exist simultaneously on Earth, the Moon/Mars, and the human explorer? These three themes can serve as the axes of a three-dimensional trade space, within which architectural solutions reside. We will show how wearable computers can fit into this trade space and what the possible implications could be for the rest of the ground and space architecture(s). We intend this to be an example of explorer-centric thinking in a fully integrated explorer paradigm, where integrated explorer refers to a human explorer having instant access to all relevant data, knowledge of the environment, science models, health and safety-related events, and other tools and information via wearable computing technologies. The trade study approach will include involvement from the relevant stakeholders (Constellation Systems, CCCI, EVA Project Office, Astronaut office, Mission Operations, Space Life Sciences, etc.) to develop operations concepts (and/or operations scenarios) from which a basic high-level set of requirements could be extracted. This set of requirements could serve as a foundation (along with stakeholder buy-in) that would help define the trade space and assist in identifying candidate technologies for further study and evolution to higher-level technology readiness levels.

Lupisella, Mark↗
NASA NTRS2011

Mars-GRAM 2010: Improving the Precision of Mars-GRAM

It has been discovered during the Mars Science Laboratory (MSL) site selection process that the Mars Global Reference Atmospheric Model (Mars-GRAM) when used for sensitivity studies for Thermal Emission Spectrometer (TES) MapYear=0 and large optical depth values, such as tau=3, is less than realistic. Mars-GRAM's perturbation modeling capability is commonly used, in a Monte-Carlo mode, to perform high fidelity engineering end-to-end simulations for entry, descent, and landing (EDL). Mars-GRAM 2005 has been validated against Radio Science data, and both nadir and limb data from TES. Traditional Mars-GRAM options for representing the mean atmosphere along entry corridors include: (1) TES mapping year 0, with user-controlled dust optical depth and Mars-GRAM data interpolated from NASA Ames Mars General Circulation Model (MGCM) results driven by selected values of globally-uniform dust optical depth, or (2) TES mapping years 1 and 2, with Mars-GRAM data coming from MGCM results driven by observed TES dust optical depth. From the surface to 80 km altitude, Mars-GRAM is based on NASA Ames MGCM. Above 80 km, Mars-GRAM is based on the University of Michigan Mars Thermospheric General Circulation Model (MTGCM). MGCM results that were used for Mars-GRAM with MapYear=0 were from a MGCM run with a fixed value of tau=3 for the entire year at all locations. This choice of data has led to discrepancies that have become apparent during recent sensitivity studies for MapYear=0 and large optical depths. Unrealistic energy absorption by time-invariant atmospheric dust leads to an unrealistic thermal energy balance on the polar caps. The outcome is an inaccurate cycle of condensation/sublimation of the polar caps and, as a consequence, an inaccurate cycle of total atmospheric mass and global-average surface pressure. Under an assumption of unchanged temperature profile and hydrostatic equilibrium, a given percentage change in surface pressure would produce a corresponding percentage change in density at all altitudes. Consequently, the final result of a change in surface pressure is an imprecise atmospheric density at all altitudes.

Justh, H. L.↗
NASA NTRSDate not supplied

Overview of GSICS visible calibration methods.

Global Space-based Inter-Calibration System (GSICS) is an international collaborative effort initiated in 2005 by the World Meteorological Organization (WMO) and the Coordination Group for Meteorological Satellites (CGMS) to 1-monitor, 2-improve and 3-harmonize the quality of observations from operational weather and environmental satellites of the Global Observing System (GOS). GSICS aims at ensuring consistent accuracy among space-based observations worldwide for climate monitoring, weather forecasting, and environmental applications by 1-monitoring instrument performance, 2-operational inter-calibration of satellite instruments, 3-radiometrically scaling observations to absolute reference standards, 4-recalibration of archived datasets. Although many of the GSIC visible inter-calibration methods are based on medium pixel-level imagers such as MODIS, VIIRS, AVHRR, and geostationary sensors, the methods are applicable to high spatial resolution imagery such as Landsat. For sensor inter-calibration efforts, coincident ray-matched reflectance pairs are used to transfer the calibration from the reference to the target instrument. Spectral band adjustment factors (SBAF) are applied to account for any spectral band differences. For sensor stability monitoring, PICS, deep convective cloud (DCC) and polar ice Earth viewed targets are utilized. GSICS uses the moon for stability monitoring by using the GSICS Implementation of the USGS Robotic Lunar Observatory (ROLO) model (GIRO). GSICS is looking forward to the launch of CLARREO on the international space station (ISS) in 2023. The CLARREO hyperspectral reflective solar band (RSB) sensor will establish an absolute calibration reference in space, which will characterize invariant targets and will inter-calibrate concurrent sensors. Examples of these calibration methods will be presented at the workshop.

Visible calibration methods↗
DOE OSTI2025

Transport and confinement physics: Chapter 2 of the special issue: on the path to tokamak burning plasma operation

Progress in physics understanding and theoretical model development of plasma transport and confinement (TC) in the ITPA TC Topical Group since the publication of the ITER Physics Basis (IPB) document (Doyle et al 2007 Nucl. Fusion 47 S18) was summarized focusing on the contributions to ITER and burning plasma prediction and control. This paper provides a general and streamlined overview on the advances that were mainly led by the ITPA TC joint experiments and joint activities for the last 15 years (see JEX/JA table in appendix). This paper starts with the scientific strategy and scope of the ITPA TC Topical group and overall picture of the major progress, followed by the progress of each research field: particle transport, impurity transport, ion and electron thermal turbulent transport, momentum transport, impact of 3D magnetic fields on transport, confinement mode transitions, global confinement, and reduced transport modeling. Cross references with other Topical Groups are given in order to highlight overlapped topics, such as the 3D effect on the plasma transport in the edge and L-H transition physics. The increasing overlap between the topical groups is a reflection of the progress on integrating the known physics into comprehensive models that are better and better able to reproduce the plasma transport. In recent years, such integration has become increasingly prevalent when considering transport from the SOL, through the edge pedestal, and into the plasma core. In the near future, increased collaboration also with the magneto-hydrodynamic and energetic particles community will be important as we approach burning plasma conditions in next-step fusion devices. A summary of remaining challenges and next steps for each research field is given in the Summary section.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Beyond the Coulson–Fischer point: characterizing single excitation CI and TDDFT for excited states in single bond dissociations

Linear response time dependent density functional theory (TDDFT), which builds upon configuration interaction singles (CIS) and TD-Hartree–Fock (TDHF), is the most widely used class of excited state quantum chemistry methods and is often employed to study photochemical processes. This paper studies the behavior of the resulting excited state potential energy surfaces beyond the Coulson–Fischer (CF) point in single bond dissociations, when the optimal reference determinant is spin-polarized. Many excited states exhibit sharp kinks at the CF point, and connect to different dissociation limits via a zone of unphysical concave curvature. In particular, the unrestricted M S = 0 lowest triplet T 1 state changes character, and does not dissociate into ground state fragments. The unrestricted M S = ±1 T 1 CIS states better approximate the physical dissociation limit, but their degeneracy is broken beyond the CF point for most single bond dissociations. On the other hand, the M S = ±1 T 1 TDHF states reach the asymptote too soon, by merging with the ground state from the CF point onwards. Use of local exchange–correlation functionals causes M S = ±1 T 1 TDDFT states to resemble their unphysical M S = 0 counterpart. The 2 orbital, 2-electron model system of minimal basis H 2 is analytically treated to understand the origin of these issues, revealing that the lack of double excitations is at the root of these remarkable observations. In conclusion, the behavior of excited state surfaces is also numerically examined for species like H 2 , NH 3 , C 2 H 6 and LiH in extended basis sets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Control Co-Design Studies for a 22 MW Semisubmersible Floating Wind Turbine Platform

We present a control co-design software framework that can be used to optimize floating wind turbines and their controllers. Because this framework has many options for design variables, constraints, and merit figures, along with modeling fidelity levels, we seek to demonstrate best practices for using the tool while designing a floating platform for the new 22 MW offshore reference wind turbine developed within the International Energy Agency Wind Technology Commercialization Programme 55 on Reference Wind Turbines and Farms. During these studies, we evaluate the use of different simulation fidelity levels, the effect of using different load cases for controller tuning, and the difference between sequential and simultaneous control co-design solutions. Based on these efforts, we suggest using an algorithm that performs an initial search of the design space before optimization. We find that solving smaller optimization problems, in a sequential manner, leads to more reliable outcomes in fewer iterations than larger, simultaneous control co-design solutions. However a simultaneous CCD solution produces a platform with a 2% lower mass than the sequential CCD outcome.

17 WIND ENERGY↗
DOE OSTI2020

Using online tools at the Bovine Genome Database to manually annotate genes in the new reference genome

With the availability of a new highly contiguous Bos taurus reference genome assembly (ARS-UCD1.2), it is the opportune time to upgrade the bovine gene set by seeking input from researchers. Furthermore, advances in graphical genome annotation tools now make it possible for researchers to leverage sequence data generated with the latest technologies to collaboratively curate genes. For many years the Bovine Genome Database (BGD) has provided tools such as the APOLLO genome annotation editor to support manual bovine gene curation. The goal of this paper is to explain the reasoning behind the decisions made in the manual gene curation process while providing examples using the existing BGD tools. We will describe the sources of gene annotation evidence provided at the BGD, including RNAseq and Iso-Seq data. We will also explain how to interpret various data visualizations when curating gene models, and will demonstrate the value of manual gene annotation. The process described here can be applied to manual gene curation for other species with similar tools. With a better understanding of manual gene annotation, researchers will be encouraged to edit gene models and contribute to the enhancement of livestock gene sets.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

Electrical and chemical interactions at Mars Workshop, part 1

The Electrical and Chemical Interactions at Mars Workshop, hosted by NASA Lewis Research Center on November 19 and 20, 1991, was held with the following objectives in mind: (1) to identify issues related to electrical and chemical interactions between systems and their local environments on Mars, and (2) to recommend means of addressing those issues, including the dispatch of robotic spacecraft to Mars to acquire necessary information. The workshop began with presentations about Mars' surface and orbital environments, Space Exploration Initiative (SEI) systems, environmental interactions, modeling and analysis, and plans for exploration. Participants were then divided into two working groups: one to examine the surface of Mars; and the other, the orbit of Mars. The working groups were to identify issues relating to environmental interactions; to state for each issue what is known and what new knowledge is needed; and to recommend ways to fulfill the need. Issues were prioritized within each working group using the relative severity of effects as a criterion. Described here are the two working groups' contributions. A bibliography of materials used during the workshop and suggested reference materials is included.

Source record↗
NASA NTRS1993

Stability and instability of thermocapillary convection in models of the float-zone crystal-growth process

This project was concerned with the determination of conditions of guaranteed stability and instability for thermocapillary convection in a model of the float-zone crystal-growth process. This model, referred to as the half-zone, was studied extensively, both experimentally and theoretically. Our own earlier research determined, using energy-stability theory, sufficient conditions for stability to axisymmetric disturbances. Nearly all results computed were for the case of a liquid with Prandtl Number Pr = 1. Attempts to compute cases for higher Prandtl numbers to allow comparison with the experimental results of other researchers were unsuccessful, but indicated that the condition guaranteeing stability against axisymmetric disturbances would be a value of the Marangoni number (Ma), significantly higher than that at which oscillatory convection was observed experimentally. Thus, additional results were needed to round out the stability picture for this model problem. The research performed under this grant consisted of the following: (1) computation of energy-stability limits for non-axisymmetric disturbances; (2) computation of linear-stability limits for axisymmetric and non-axisymmetric disturbances; (3) numerical simulation of the basic state for half- and full-zones with a deformable free surface; and (4) incorporation of radiation heat transfer into a model energy-stability problem. Each of these is summarized briefly below.

Neitzel, G. P.↗
NASA NTRS2016

Additional Results of Glaze Icing Scaling in SLD Conditions

New guidance of acceptable means of compliance with the super-cooled large drops (SLD) conditions has been issued by the U.S. Department of Transportation's Federal Aviation Administration (FAA) in its Advisory Circular AC 25-28 in November 2014. The Part 25, Appendix O is developed to define a representative icing environment for super-cooled large drops. Super-cooled large drops, which include freezing drizzle and freezing rain conditions, are not included in Appendix C. This paper reports results from recent glaze icing scaling tests conducted in NASA Glenn Icing Research Tunnel (IRT) to evaluate how well the scaling methods recommended for Appendix C conditions might apply to SLD conditions. The models were straight NACA 0012 wing sections. The reference model had a chord of 72 in. and the scale model had a chord of 21 in. Reference tests were run with airspeeds of 100 and 130.3 kn and with MVD's of 85 and 170 micron. Two scaling methods were considered. One was based on the modified Ruff method with scale velocity found by matching the Weber number WeL. The other was proposed and developed by Feo specifically for strong glaze icing conditions, in which the scale liquid water content and velocity were found by matching reference and scale values of the nondimensional water-film thickness expression and the film Weber number Wef. All tests were conducted at 0 deg AOA. Results will be presented for stagnation freezing fractions of 0.2 and 0.3. For nondimensional reference and scale ice shape comparison, a new post-scanning ice shape digitization procedure was developed for extracting 2-D ice shape profiles at any selected span-wise location from the high fidelity 3-D scanned ice shapes obtained in the IRT.

SLD↗
DOE OSTI2016

Effect of multi-tank thermal energy storage, recuperator effectiveness, and solar receiver conductance on the performance of a concentrated solar supercritical CO 2 -based power plant operating under different seasonal conditions

Renewable energy technologies based on solar energy concentration are important alternatives to supply the rising energy demand in the world and to mitigate the negative environmental impact caused by the extensive use of fossil-fuels. In this work, a thermodynamic model based on energy and exergy analyses is developed to study the transient behavior of a Concentrated Solar Power (CSP) supercritical CO2 plant operating under different seasonal conditions. The system analyzed is composed of a central receiver, hot and cold thermal energy storage units, a heat exchanger, a recuperator, and three-stage compression and expansion subsystems with intercoolers between compressors and reheaters between turbines, respectively. From the exergy analysis, the recuperator, the hot thermal energy storage, and the solar receiver were identified as the main sources for exergy destruction with more than 70% of the total lost work in the plant. These components offer an important potential to improve the system’s performance via design optimization. With reference parameters, the system reaches efficiencies of about 18.5%. These efficiencies are increased with a combination of improved design parameters, reaching values of between 24.1% and 26.2%, depending on the season, which are relatively good for CSP plants.

14 SOLAR ENERGY↗
DOE OSTI2026

Bond Dissociation Energies of the Actinide Halides AnX, An = Ac–Lr and X = F–I, Utilizing Relativistic Composite Coupled Cluster Approaches

Bond dissociation energies (BDEs) have been calculated for the set of actinide halides AnX with An=Ac, Pa, and Np-Lr and X=F-I. Two composite thermochemistry methods based on the Feller-Peterson-Dixon (FPD) approach have been utilized, one involving spinor-based relativistic CCSD(T) calculations where spin-orbit (SO) was included at the orbital level and another using scalar relativistic CCSD(T) with a posteriori SO contributions based on 2-component multireference configuration interaction calculations. The method that was chosen for a given actinide halide was based on which representation yielded the best single determinant reference determinant for the coupled cluster calculation. The spinor-based method was chosen for all cases except for AmX, CmX, and BkX. Both composite approaches included contributions accounting for basis set truncation, outer-core correlation, the Gaunt interaction, and QED. The scalar FPD results, as well as the spinor-based calculations for AcF, also included higher order electron correlation up through CCSDT(Q). In addition to BDEs, CCSD(T) equilibrium bond lengths, harmonic frequencies, and vibrational anharmonicity constants are reported for all species. Last, the FPD BDEs for the fluorides were used to confirm the trend across the actinide series previously predicted by Gibson using bonding models based atomic promotion energies that provide a single 6d electron for bonding. In particular the local minimum in the BDEs at AmF is confirmed in the present calculations. Furthermore, the BDEs for LrX are predicted to be slightly larger than those of AcX, making them the largest in the actinide halide series.

Actinides↗