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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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At least 127 records · Page 7

Multireference Equation-of-Motion Driven Similarity Renormalization Group: Theoretical Foundations and Applications to Ionized States

We present a formulation and implementation of an equation-of-motion (EOM) extension of the multireference driven similarity renormalization group (MR-DSRG) formalism for ionization potentials (IP-EOM-DSRG). The IP-EOM-DSRG formalism results in a Hermitian generalized eigenvalue problem, delivering accurate ionization potentials for strongly correlated systems. The EOM step scales as O(N 5 ) with the basis set size N, allowing for efficient calculation of spectroscopic properties, such as transition energies and intensities. The IP-EOM-DSRG formalism is combined with three truncation schemes of the parent MR-DSRG theory: an iterative nonperturbative method with up to two-body excitations [MR-LDSRG(2)] and second- and third-order perturbative approximations [DSRG-MRPT2/3]. We benchmark these variants by computing (1) the vertical valence ionization potentials of a series of small molecules at both equilibrium and stretched geometries; (2) the spectroscopic constants of several low-lying electronic states of the OH, CN, N 2 + , and CO + radicals; and (3) the binding curves of low-lying electronic states of the CN radical. A comparison with experimental data and theoretical results shows that all three IP-EOM-DSRG methods accurately reproduce the vertical ionization potentials and spectroscopic constants of these systems. Notably, the DSRG-MRPT3 and MR-LDSRG(2) versions outperform several state-of-the-art multireference methods of comparable or higher cost.

Hamiltonians↗

Performance of the spin-component-scaled methods for energy bands

The performance of various spin-component-scaled parameterisations is examined for the second-order many-body Green's-function [MBGF(2)] calculations of valence energy bands, taking three of the experimentally well-characterised polymers as examples: polyethylene, polytetrafluoroethylene, and polyacetylene. The parameterisations considered are Grimme's original SCS parameter set, Jung et al.'s original SOS set (retaining the opposite-spin component only), Śmiga et al.'s SCS(IP) set (calibrated specifically for ionization energies), and Śmiga et al.'s SOS(IP) set (calibrated for ionization energies with the opposite-spin component only; implicit in the os-D2 model of Opoku et al.). The SCS(IP) and SOS(IP) parameterisations are found to shift both outer and inner valence bands by up to a few electronvolts away from the experimental data. The original SCS and SOS parameter sets do not improve upon, but largely maintain the accuracy of the unscaled MBGF(2) methods. Given that the SOS-MBGF(2) method can be implemented in a quartic-scaling algorithm (for all roots), it is most promising for solid-state applications. Furthermore this observation is consistent with the success of the quartic-scaling GW methods without the vertex correction based on a density-functional theory reference.

Green’s-function theory↗

Algebraic Multigrid with Filtering: An Efficient Preconditioner for Interior Point Methods in Large-Scale Contact Mechanics Optimization

Large-scale contact mechanics simulations are crucial in many engineering fields such as structural design and manufacturing. In the frictionless case, contact can be modeled by minimizing an energy functional; however, these problems are often nonlinear, nonconvex, and increasingly difficult to solve as mesh resolution increases. In this work, we employ a Newton-based interior-point (IP) filter line-search method, an effective approach for large-scale constrained optimization. While this method converges rapidly, each iteration requires solving a large saddle-point linear system that becomes ill-conditioned as the optimization process converges, largely due to IP treatment of the contact constraints. Such ill-conditioning can hinder solver scalability and increase iteration counts with mesh refinement. Here, to address this, we introduce a novel preconditioner, algebraic multigrid with filtering (AMGF), tailored to the Schur complement of the saddle-point system. Building on the classical AMG solver, commonly used for elasticity, we augment it with a specialized subspace correction that filters near null space components introduced by contact interface constraints. Through theoretical analysis and numerical experiments on a range of linear and nonlinear contact problems, we demonstrate that the proposed solver achieves mesh independent convergence and maintains robustness against the ill-conditioning that notoriously plagues IP methods. These results indicate that AMGF makes contact mechanics simulations more tractable and broadens the applicability of Newton-based IP methods in challenging engineering scenarios. More broadly, AMGF is well suited for problems, optimization or otherwise, where solver performance is limited by a low-dimensional subspace, such as those arising from localized constraints, interface conditions, or model heterogeneities. This makes the method widely applicable beyond contact mechanics and constrained optimization.

Mathematics and Computing↗

Multiple interaction points in ghost collisions

The Ghost Collider makes use of unique “ghost” bunches, which are electrically neutral combinations of electrons and positrons within the same RF bucket, eliminates the beam-beam effects typically present at the interaction point (IP) in conventional colliders. This allows for the novel possibility of placing multiple interaction regions in series, achieving additive luminosity without introducing significant disruption. However, to get higher luminosity, the beta functions at the IP reaches millimeter scale, which in turn adds significant chromatic contribution to the collider. Correcting these chromatic effects is essential to maintain beam stability and ensure high luminosity during collider operation. By carefully adjusting the phase advance between two IRs that are placed in series, it becomes possible to cancel chromaticity globally, enabling stable collider operation while preserving high luminosity. In this paper we discuss the design of such IR/IRs to be used in a ghost collider.

Accelerator Physics↗

Equipment List Comparing Balance of Plant Containing a Heat Pump against a Reference Electricity Generating Plant

Approximately two-thirds of U.S. energy consumption in the industrial and transportation sectors relies on fossil fuels. These sectors require high-quality heat, i.e., thermal energy at very high temperatures, for molecular transformation processes. The Integrated Energy Systems (IES) program aims to assess the economic potential of utilizing nuclear-grade heat from Advanced Reactors (ARs) to meet the high-quality heat demands. By having industrial processes (IPs) supplied with nuclear-generated heat, manufacturers could benefit from more stable and potentially lower energy costs, reducing reliance on volatile fossil fuel markets. The main outcome of the FY24 research was the thermodynamic assessment and gap analysis of steam generation for IP applications. The study completed in June 2024 demonstrated that the required steam temperatures could be achieved by integrating a heat pump into an AR power plant. After identifying the thermal demands of target IPs, multiple balance of plant configurations for the Xe-100 reactor by X-energy, incorporating a heat pump, were analyzed. Their technical feasibilities were assessed, including the design of suitable axial compressors for these applications. Comparative performance analysis showed that thermal efficiency alone is insufficient to evaluate system suitability. To address this, a new indicator (heat factor) was introduced in the report released in September 2024 to quantify the low-quality thermal power needed to produce one unit of high-quality heat for the IP. Results showed that integrating heat pumps into Rankine cycles enables higher steam temperatures, though at the expense of increased thermal energy input. This report builds upon and completes the foundational work previously undertaken. It focuses on the design of two Balance of Plant (BOP) configurations, both based on Rankine energy conversion cycles: “Case 1”, which involves electricity generation only, and “Case 2”, which combines electricity and high-temperature heat generation for industrial use. For each configuration, a comprehensive equipment list was developed, detailing all major components such as turbines, compressors, heat exchangers, pumps, and control systems. These lists will serve as the basis for future comparative cost analyses, with the goal of assessing the number and type of components required to integrate a heat pump into the Rankine cycle and to establish a heat transport system capable of delivering thermal energy from the nuclear plant to an industrial facility. Using the constitutive equations presented in the June 2024 milestone, the operating conditions of all BOP components for both “Case 1” and “Case 2” were evaluated. These parameters—such as temperature, pressure, mass flow rate, and steam quality—served as the basis for calculating the associated thermal and mechanical power flows. The net power required from the heat pump to raise the steam temperature to the target level was also determined. The thermodynamic performance of the configuration was then assessed using the heat factor metric. The key outcome of this analysis is a comparative table that presents the equipment that was used in the “Case 1” and “Case 2” configurations. This study offers a preliminary comparison of the two designs, providing insight into the impact of integrating a heat pump in terms of component requirements and thermal efficiency. This equipment list, together with the evaluated operating conditions, also serves as a foundation for the economic analyses scheduled for the current fiscal year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Characteristics of individuals with high information potential in government research and development organizations.

In order to study focal individuals within informal communications networks, a special variable was constructed: information potential (IP) was defined as the information-source value placed on an individual by his colleagues. Four hypotheses involving IP were tested in three R&D organizations using questionnaires and pencil-and-paper tests. Results indicated that the individual with high IP used more and different sources of technical information, was seen to be a credible information source and to have a strong ability to associate seemingly unrelated ideas, and was as approachable as the other members of his organization. Four tentative conclusions may be drawn from this study concerning the person with high IP. He is (1) an identifiable individual in several different kinds of organizations; (2) a distinctive information transceiver (transmitter and receiver); (3) both a producer and a catalyst in his own organization; and (4) an extender and an amplifier of information search. To affect the efficiency of informal information flow, the research manager's best hope for positively influencing informal networks lies in the identification and motivation of the special communicators in his organization.

Holland, W. E.↗

A correlative study of SSC's, interplanetary shocks, and solar activity

A total of 93 SSC's were examined during the four year period from 1968 to 1971 at and near the peak of the solar activity cycle. Of the 93 SSC's 81 could be associated with solar activity, such as solar flares and radio bursts of Type II and Type IV. The mean propagation speeds of these flare-associated events ranged from 400 to 1000 km/sec with an average speed of 600-700 km/sec. Disturbances associated with 48 of the SSC's have been studied in detail using the corresponding interplanetary (IP) magnetic field, and plasma data when they were available. It was found that 41 of the 48 disturbances corresponded to IP shock waves, and the remaining seven events were tangential discontinuities. Thirty percent of the IP shocks had thick structure (i.e. the magnetic field jump across the shock occurred over a distance much greater than 50 proton Larmor radii). Also given is a statistical study of the gross geometry of a typical or average shock surface based on multiple spacecraft sightings and their relative orientation with respect to the solar flare. It is suggested that a typical shock front propagating out from the sun at l AU has a radius of curvature on the order of l AU. Also given are some general properties of oblique IP flare-shocks.

Chao, J. K.↗

The effectiveness of incorporating a real-time oculometer system in a commercial flight training program

The effectiveness of incroporating a real-time oculometer system into a Boeing 737 commercial flight training program was studied. The study combined a specialized oculometer system with sophisticated video equipment that would allow instructor pilots (IPs) to monitor pilot and copilot trainees' instrument scan behavior in real-time, and provide each trainee with video tapes of his/her instrument scanning behavior for each training session. The IPs' performance ratings and trainees' self-ratings were compared to the performance ratings by IPs and trainees in a control group. The results indicate no difference in IP ratings or trainees' self-ratings for the control and experimental groups. The results indicated that the major beneficial role of a real-time oculometer system for pilots and copilots having a significant amount of flight experience would be for problem solving or refinement of instrument scanning behavior rather than a general instructional scheme. It is suggested that this line of research be continued with the incorporation of objective data (e.g., state of the aircraft data), measures of cost effectiveness and with trainees having less flight experience.

Jones, D. H.↗

Modeling of a series of interplanetary disturbance events in September 1978

A series of three interplanetary disturbance events in September 1978 are modeled. Flares responsible for the three shock waves are tentatively identified. It is shown that the computed interplanetary scintillation (IPS) sky maps for flares on September 21 and 23 clearly show that the September 21 flare was responsible for the IPS event and the geomagnetic storms which were observed on September 24-25, although it has been generally believed that a flare on September 23 was their origin. Thus, this is a good example to show the usefulness of IPS observations to identify the responsible solar event and predict the arrival of the shock wave. It is also shown that the IPS event was not caused by a high speed stream from a coronal hole.

Akasofu, S.-I.↗

Microwave dielectric properties of dry rocks

A combination of techniques was used to measure the dielectric properties of 80 rock samples in the microwave region. The real part (RP) of the relative dielectric constant was measured in 0.1-GHz steps from 0.5 to 18 GHz, and the imaginary part (IP) was measured at five frequencies between 1.6 and 16 GHz. The bulk density rho(b) was also measured for all the samples, and the bulk chemical composition (BCC) was determined for 56 of the samples. RP is found to be frequency-independent at 0.5-18 GHz for all samples, and rho(b) accounts for about 50 percent of the observed variance. For silicate rocks, as much as 78 percent of the variance is explained by the combination of rho(b) and the fractional contents of oxides when the silicates are subgrouped by genesis. In contrast, IP decreases with increasing frequency for most rock samples, and no statistically significant relationships are found between IP and rho(b). For subgrouped silicate rocks, 60 percent of the variance in IP can be explained by BCC.

Ulaby, Fawwaz T.↗

A real-time recursive filter for the attitude determination of the Spacelab instrument pointing subsystem

A real-time estimation filter which reduces sensitivity to system variations and reduces the amount of preflight computation is developed for the instrument pointing subsystem (IPS). The IPS is a three-axis stabilized platform developed to point various astronomical observation instruments aboard the shuttle. Currently, the IPS utilizes a linearized Kalman filter (LKF), with premission defined gains, to compensate for system drifts and accumulated attitude errors. Since the a priori gains are generated for an expected system, variations result in a suboptimal estimation process. This report compares the performance of three real-time estimation filters with the current LKF implementation. An extended Kalman filter and a second-order Kalman filter are developed to account for the system nonlinearities, while a linear Kalman filter implementation assumes that the nonlinearities are negligible. The performance of each of the four estimation filters are compared with respect to accuracy, stability, settling time, robustness, and computational requirements. It is shown, that for the current IPS pointing requirements, the linear Kalman filter provides improved robustness over the LKF with less computational requirements than the two real-time nonlinear estimation filters.

West, M. E.↗

MSFC institutional area network and ATM technology

The New Institutional Area Network (NEWIAN) at Marshall supports over 5000 end users with access to 26 file servers providing work presentation services. It is comprised of some 150 Ethernet LAN's interconnected by bridges/routers which are in turn connected to servers over two dual FDDI rings. The network supports various higher level protocols such as IP, IPX, AppleTalk (AT), and DECNet. At present IPX and AT protocols packets are routed, and IP protocol packets are bridged; however, work is in progress to route all IP packets. The impact of routing IP packets on network operation is examined. Broadband Integrated Services Data Network (BISDN), presently at various stages of development, is intended to provide voice, video, and data transfer services over a single network. BISDN will use asynchronous transfer mode (ATM) as a data transfer technique which provides for transmission, multiplexing, switching, and relaying of small size data units called cells. Limited ATM Wide Area Network (WAN) services are offered by Wiltel, AT&T, Sprint, and others. NASA is testing a pilot ATM WAN with a view to provide Program Support Communication Network services using ATM. ATM supports wide range of data rates and quality of service requirements. It is expected that ATM switches will penetrate campus networks as well. However, presently products in these areas are at various stages of development and standards are not yet complete. We examine development of ATM to help assess its role in the evolution of NEWIAN.

Amin, Ashok T.↗

Evolution of the solar wind acceleration region during 1990-1994

The single-station measurements of interplanetary scintillation (IPS) at 2 and 8 GHz have been made at the Kashima Space Research Center of the Communications Research Laboratory in the period from 1990 to 1994. These IPS data are used to study the radial distribution of solar wind velocity and density fluctuations near the sun (i.e. 10-70 Rs), and the long-term variation in these properties. The IPS co-spectrum technique is applied here to estimate the solar wind velocity. Derived velocities show that the solar wind gains a speed significantly in the radial range from 10 to 30 Rs (solar radii). which is much farther than the source surface of the thermally driven solar wind model. From the scintillation index analysis. it is found that the radial fall of density fluctuations is well described by the power-law function. A series of IPS observations reveals that a pronounced change in velocity and turbulence level for this radial range occurs at the polar region of the sun during 1990-1994. That is, the high speed wind and the reduced turbulence region develop there as the solar activity declines. On the other hand, little long-term variation is observed for the solar wind acceleration region at a low latitude. From the comparison with He 1O83 nm observations. it is demonstrated that the change of the solar wind structure is closely linked with the evolution of the coronal hole on the solar surface.

Tokumaru, M.↗

Facilitation techniques as predictors of crew participation in LOFT debriefings

Based on theories of adult learning and airline industry guidelines for Crew Resource Management (CRM), the stated objective during Line Oriented Flight Training (LOFT) debriefings is for instructor pilots (IP's) to facilitate crew self-analysis of performance. This study reviews 19 LOFT debriefings from two major U.S. airlines to examine the relationship between IP efforts at facilitation and associated characteristics of crew participation. A subjective rating scale called the Debriefing Assessment Battery was developed and utilized to evaluate the effectiveness of IP facilitation and the quality of crew participation. The results indicate that IP content, encouragement, and questioning techniques are highly and significantly correlated with, and can therefore predict, the degree and depth of crew participation.

McDonnell, L. K.↗

Bethanechol-Induced Water Intake in Rats: Possible Mechanisms of Induction

Acute administration of the parasympathomimetic agent, bethanechol, at 2, 4, 8 and 12 mg/kg body wt, IP, induced drinking and increased urine output of rats in a dose-dependent fashion. The first significant increases in both water intake and urine output above that of controls occurred when 4 mg/kg was administered. The drinking and increased urine output in response to administration of 8 mg bethanechol/kg was inhibited by atropine sulfate (3 and 6 mg/kg, IP). In addition, the 0-adrenergic antagonist, propranolol (6 mg/kg, IP, administered 30 min prior to treatment with bethanechol), inhibited bethanechol (8 mg/kg, IP)-induced drinking. Urine output, however, was unaffected by propranolol. Further, the angiotensin I converting enzyme inhibitor, captopril, inhibited significantly the drinking response, but not the increased urine output, accompanying administration of bethanechol (8 mg/kg). The effect of bethanechol and the beta-adrenergic agonist, isoproterenol (25 Ag/kg) separately and in combination, on water intake was also studied. Both compounds increased water intake but they exerted no interactive effect when administered simultaneously. Administration of bethanechol (8 mg/kg) to conscious rats was also accompanied by a significant reduction in both mean blood pressure and heart rate that reached minimal levels within 10 min after treatment. Both responses had returned to control level by one hour after treatment. These results suggest that bethanechol induces drinking in rats by way of the renin-angiotensin system.

Fregly, Melvin J.↗

Comparison of interplanetary type 2 radio burst observations by ISEE-3, Ulysses, and WIND with applications to space weather prediction

Interplanetary (IP) type 2 radio bursts are produced by IP shocks driven by solar ejecta, presumably involving shock acceleration of electrons that leads to radio emission. These radio bursts, which can be detected remotely by a sensitive spacecraft radio receiver, provide a method of tracking the leading edge of solar ejecta moving outward from the sun. Consequently, observations of these bursts sometimes provide advance warning of one or more days prior to the onset of geomagnetic activity induced by the solar ejecta. A robust lower limit on the fraction of intense geomagnetic storms, that are preceded by IP type 2 bursts, is provided. It is shown that 41 percent of the geomagnetic storms occurring during the interval September 1978 to February 1983 were preceded by type 2 events in this catalog, and reasons why the fraction is not larger are addressed. Differences in the observing capabilities of the International Sun-Earth Explorer (ISEE) 3, Ulysses, and WIND, to explain why each of these similar spacecraft radio investigations provides a different perspective of IP type 2 emissions are reviewed.

MacDowall, R. J.↗

Exploration of Solar Wind Acceleration Region Using Interplanetary Scintillation of Water Vapor Maser Source and Quasars

Single-station observations of interplanetary scintillation (IPS) at three microwave frequencies; 2 GHz, 8 GHz and 22 GHz have been carried out between 1989 and 1998 using a large (34 m farad) radio telescope at the Kashima Space Research Center of the Communications Research Laboratory. The aim of these observations is to explore the near-sun solar wind, which is the key region for the study of the solar wind acceleration mechanism. Strong quasars; 3C279 and 3C273B were used for Kashima IPS observations at 2 GHz and 8 GHz, and a water vapor maser source, IRC20431 was used for the IPS observations at 22 GHz. Solar wind velocities derived from Kashima IPS data suggest that the solar wind acceleration takes place at radial distances between 10 and 30 solar radii (R(sub s)) from the sun. Properties of the turbulence spectrum (e.g. anisotropy, spectral index, inner scale) inferred from Kashima data are found to change systematically in the solar wind acceleration region. While the solar wind in the maximum phase appears to be dominated by the slow wind, fast and rarefied winds associated with coronal holes are found to develop significantly at high latitudes as the solar activity declines. Nevertheless, Kashima data suggests that the location of the acceleration region is stable throughout the solar cycle.

Tokumaru, Munetoshi↗

Water stress, CO2 and photoperiod influence hormone levels in wheat

'Super Dwarf' wheat (Triticum aestivum L.) plants have been grown from seed to maturity in the Mir space station where they were periodically exposed, because of microgravity and other constraints, to water deficit, waterlogging, high CO2 levels, and low light intensities. The plants produced many tillers, but none of them produced viable seed. Studies have been initiated to determine why the plants responded in these ways. In the present study, effects of the listed stresses on abscisic acid (ABA), indole-3-acetic acid (IAA) and isopentenyl adenosine ([9R]iP) levels in roots and leaves of plants grown under otherwise near optimal conditions on earth were measured. Hormones were extracted, purified by HPLC, and quantified by noncompetitive indirect ELISA. In response to water deficit, ABA levels increased in roots and leaves, IAA levels decreased in roots and leaves, and [9R]iP levels increased in leaves but decreased in roots. In response to waterlogging, ABA, IAA and [9R]iP levels briefly increased in roots and leaves and then decreased. When portions of the root system were exposed to waterlogging and/or water deficit, ABA levels in leaves increased while [9R]iP and IAA levels decreased. These responses were correlated with the percentage of the root system stressed. At a low photosynthetic photon flux (100 micromoles m-2 s-1), plants grown in continuous light had higher leaf ABA levels than plants grown using an 18 or 21 h photoperiod.

Non-NASA Center↗