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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
DOE OSTI2012

Side-by-Side Field Evaluation of Highly Insulating Windows in the PNNL Lab Homes

To examine the energy, air leakage, and thermal performance of highly insulating windows, a field evaluation was undertaken in a matched pair of all-electric, factory-built “Lab Homes” located on the Pacific Northwest National Laboratory (PNNL) campus in Richland, Washington. The “baseline” Lab Home B was retrofitted with “standard” double-pane clear aluminum-frame slider windows and patio doors, while the “experimental” Lab Home A was retrofitted with Jeld-Wen® triple-pane vinyl-frame slider windows and patio doors with a U-factor of 0.2 and solar heat gain coefficient of 0.19. To assess the window, the building shell air leakage, energy use, and interior temperatures of each home were compared during the 2012 winter heating and summer cooling seasons. The measured energy savings in Lab Home B averaged 5,821 watt-hours per day (Wh/day) during the heating season and 6,518 Wh/day during the cooling season. The overall whole-house energy savings of Lab Home B compared to Lab Home A are 11.6% ± 1.53% for the heating season and 18.4 ± 2.06% for the cooling season for identical occupancy conditions with no window coverings deployed. Extrapolating these energy savings numbers based on typical average heating degree days and cooling degree days per year yields an estimated annual energy savings of 12.2%, or 1,784 kWh/yr. The data suggest that highly insulating windows are an effective energy-saving measure that should be considered for high-performance new homes and in existing retrofits. However, the cost effectiveness of the measure, as determined by the simple payback period, suggests that highly insulating window costs continue to make windows difficult to justify on a cost basis alone. Additional reductions in costs via improvements in manufacturing and/or market penetration that continue to drive down costs will make highly insulating windows much more viable as a cost-effective energy efficiency measure. This study also illustrates that highly insulating windows have important impacts on peak load, occupant comfort, and condensation potential, which are not captured in the energy savings calculation. More consistent and uniform interior temperature distributions suggest that highly insulated windows, as part of a high performance building envelope, may enable more centralized duct design and downsized HVAC systems. Shorter, more centralized duct systems and smaller HVAC systems to yield additional cost savings, making highly insulating windows more cost effective as part of a package of new construction or retrofit measures which achieve significant reductions in home energy use.

PNNL Lab Homes↗
DOE OSTI2019

Development and Evaluation of HVAC Operation Schedule Detection Algorithm

Small- and medium-sized (<50,000 sf) commercial buildings (SMBs) represent over 94% of the U.S. commercial building stock and consume over 1018 kJ (~1015 Btus) of total site energy. Many of these buildings use rudimentary controls that are mostly manual, with limited scheduling capability and no monitoring or failure management. Therefore, many of them are operated inefficiently and consume excess energy. SMBs typically use packaged rooftop units (RTUs) that are controlled by an individual thermostat. Studies have shown that managing set points and schedules of the RTUs will result in up to 20% energy/cost savings. This paper is focused only on the detection of the occupancy schedule using the zone temperature. The paper describes the methodology to detect the occupancy schedule, the metric used to validate the algorithm and the validation results. The algorithm has been tested and validated using field data from a number of RTUs from six buildings in different climate locations. Overall, the algorithm was successful in detecting the occupancy schedule using a symbolic aggregate approximation (SAX) technique. The results showed that the occupancy schedule detection algorithm using the SAX method performs well under summer (hot) and winter (cold) weather conditions when energy use is the highest. The algorithm can also distinguish different schedules and generate clusters of occupancy scheduling based on zone temperature measurements alone.

Kim, Woohyun↗
DOE OSTI2021

Probing Multiconfigurational States by Spectroscopy: The Cerium XAS L 3 ‐edge Puzzle

Abstract The Ce L 3 edge XAS spectra of CeO 2 and cerocene [Ce(C 8 H 8 ) 2 ] were calculated with relativistic ab‐initio multireference wavefunction approaches capable of reproducing the observed spectra accurately. The study aims to resolve the decades‐long puzzle regarding the relationship between the number and relative intensities of the XAS peaks and the 4f electron occupation in the ground state (GS) versus the core‐excited states (ESs). CeO 2 and cerocene exemplify the different roles of covalent bonding and wavefunction configurational composition in the observed intensity patterns. Good agreement is found between the calculated GS 4f‐shell occupations and the value derived from XAS measurements using peak areas ( n f ). The identity of the two‐peaked Ce L 3 edge is fully rationalized from the perspective of the relaxed wavefunctions for the GS and core ESs. The states underlying the different peaks differ from each other in a surprisingly simple way that can be associated with 4f 1 vs. 4f 0 sub‐configurations. Furthermore, part of one of the cerocene spectral peaks is associated with 4f 2 sub‐configurations. The pattern therefore reveals excited states that can be interpreted in terms of Ce IV and III oxidation numbers, as long assumed, with Ce II states additionally appearing in the cerocene spectrum. While this work demonstrates the rough accuracy of the conventional approach to determining n f from Ce L 3 ‐edge XAS, limitations are highlighted in terms of the ultimate accuracy of this approach and the potential of observing new types of excited states. The need to determine the sources of n f by calculations, is stressed.

Sergentu, Dumitru‐Claudiu↗
DOE OSTI2023

DESI mock challenge: Halo and galaxy catalogues with the bias assignment method

We present a novel approach to the construction of mock galaxy catalogues for large-scale structure analysis based on the distribution of dark matter halos obtained with effective bias models at the field level. We aim to produce mock galaxy catalogues capable of generating accurate covariance matrices for a number of cosmological probes that are expected to be measured in current and forthcoming galaxy redshift surveys (e.g. two- and three-point statistics). The construction of the catalogues shown in this paper is part of a mock-comparison project within the Dark Energy Spectroscopic Instrument (DESI) collaboration. We use the bias assignment method ( BAM ) to model the statistics of halo distribution through a learning algorithm using a few detailed N-body simulations, and approximated gravity solvers based on Lagrangian perturbation theory. We introduce cosmic-web-dependent corrections to modelling redshift-space distortions at the N-body level – both in the halo and galaxy distributions –, as well as a multi-scale approach for accurate assignment of halo properties. Using specific models of halo occupation distributions to populate halos, we generate galaxy mocks with the expected number density and central-satellite fraction of emission-line galaxies, which are a key target of the DESI experiment. BAM generates mock catalogues with per cent accuracy in a number of summary statistics, such as the abundance, the two- and three-point statistics of halo distributions, both in real and redshift space. In particular, the mock galaxy catalogues display ~3%-10% accuracy in the multipoles of the power spectrum up to scales of k ~ 0.4 h -1 Mpc. We show that covariance matrices of two- and three-point statistics obtained with BAM display a similar structure to the reference simulation. BAM offers an efficient way to produce mock halo catalogues with accurate two- and three-point statistics and is able to generate a variety of multi-tracer catalogues with precise covariance matrices of several cosmological probes. We discuss future developments of the algorithm towards mock production in DESI and other galaxy-redshift surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Sustainable Oxide Electrocatalyst for Hydrogen- and Oxygen-Evolution Reactions

In this work, an electrocatalyst for water splitting based on earth-abundant metals is reported. This perovskite-oxide catalyst, CaSrFe 0.75 Co 0.75 Mn 0.5 O 6-δ (CSFCM), is examined using both experimental and computational methods. It demonstrates a combination of properties, which include (a) very high activity for the oxygen-evolution reaction with an overpotential of eta = 0.19 V at 10 mA/cm 2 , (b) high stability over 1000 cycles of catalysis, (c) the ability to catalyze the hydrogen-evolution reaction effectively in both acidic and basic conditions, and (d) catalytic activity as a single-phase bulk material without the need for any additional processing, multicomponent composite preparation, or nanofabrication. Therefore, the catalytic activity of CSFCM is intrinsic, making it a good benchmark compound for future studies of electrocatalytic parameters. This work also highlights the impact of systematic structural design on electrocatalytic activity. Results from density functional theory calculations indicate that in addition to an optimal e g occupancy of similar to 1, an additional descriptor, i.e., maximizing the number of free e g carriers, correlates with the electrocatalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Reactions of Np(VI) and Pu(VI) with Phenanthroline Result in Bending the [NpVIO2]2+ Unit and a Reduced Pu(V) Species

Despite decades of actinyl chemistry, genuinely bent actinyl structures remain rare beyond uranium. We report the first crystallographic characterization of a bent neptunyl(VI) complex, NpO 2 Cl 2 (phen) 2, along with a linear plutonyl species that, unexpectedly, adopts the +V oxidation state. Coordination of two 1,10-phenanthroline ligands to NpO 2 2+ enforces pronounced bending of the O yl –Np–O yl unit to 162° through steric clashes with the axial phenathroline ligand, representing the sharpest angle reported for any neptunyl(VI) complex. In contrast, synthesis with PuO 2 2+ produces a reduced linear Pu(V) species, PuO 2 Cl(phen) 2, underscoring the redox lability and the reluctance of plutonium to distort. Raman and IR spectra yield the first experimental stretching and interaction force constants for plutonyl(V). Comparison with values for plutonyl(VI) and bent and linear uranyl(VI) and neptunyl(VI) compounds shows that reduction perturbs the actinyl bond more than bending within one oxidation state. Electrochemical and spectroscopic studies clarify phenanthroline binding to Pu(VI) and the system’s reactivity. Quantum chemical calculations indicate that bending is energetically favored in the U–Np–Pu series, but the stabilization energy decreases as the actinide atomic number increases. NBO and QTAIM analyses reveal systematic trends: increasing 5f occupancy and decreasing An–O yl bond covalency from U to Pu. These results demonstrate that ligand-induced bending in neptunyl(VI) species is not only electronically feasible but also synthetically achievable, though plutonyl(VI) is constrained by redox reactivity. This work expands the frontier of nonlinear actinyl chemistry and illuminates how structure, oxidation state, and electronic configuration interrelate across the actinyl series.

actinides↗
NASA NTRS1980

The National Transonic Facility - Status and operational planning

The National Transonic Facility is scheduled to be completed in 1982. Several technical concerns remain, including thermal stress constraints which may limit the rate at which temperatures can be changed, seal performance in the cryogenic environment, and the tunnel process controls which could affect data acquisition rate. The current design affords the capability of dealing with all these concerns if they become problems. The outstanding instrument need is a real-time model surface deformation measurement system. Finally, an examination of the occupancy cost and the cost of liquid nitrogen for high Reynolds number tests indicates that operating costs should not be an inhibiting factor in the use of the facility.

Howell, R. R.↗
NASA NTRS1981

The workshop

The plan is presented for a two day workshop held to provide educational and training experience in the reading, interpretation, and application of LANDSAT and correlated larger scale imagery, digital printout maps, and other collateral material for a large number of participants with widely diverse levels of expertise, backgrounds, and occupations in government, industry, and education. The need for using surface truth field studies with correlated aerial imagery in solving real world problems was demonstrated.

Wake, W. H.↗
NASA NTRS2005

Large Liquid Rocket Testing: Strategies and Challenges

Rocket propulsion development is enabled by rigorous ground testing in order to mitigate the propulsion systems risks that are inherent in space flight. This is true for virtually all propulsive devices of a space vehicle including liquid and solid rocket propulsion, chemical and non-chemical propulsion, boost stage and in-space propulsion and so forth. In particular, large liquid rocket propulsion development and testing over the past five decades of human and robotic space flight has involved a combination of component-level testing and engine-level testing to first demonstrate that the propulsion devices were designed to meet the specified requirements for the Earth to Orbit launchers that they powered. This was followed by a vigorous test campaign to demonstrate the designed propulsion articles over the required operational envelope, and over robust margins, such that a sufficiently reliable propulsion system is delivered prior to first flight. It is possible that hundreds of tests, and on the order of a hundred thousand test seconds, are needed to achieve a high-reliability, flight-ready, liquid rocket engine system. This paper overviews aspects of earlier and recent experience of liquid rocket propulsion testing at NASA Stennis Space Center, where full scale flight engines and flight stages, as well as a significant amount of development testing has taken place in the past decade. The liquid rocket testing experience discussed includes testing of engine components (gas generators, preburners, thrust chambers, pumps, powerheads), as well as engine systems and complete stages. The number of tests, accumulated test seconds, and years of test stand occupancy needed to meet varying test objectives, will be selectively discussed and compared for the wide variety of ground test work that has been conducted at Stennis for subscale and full scale liquid rocket devices. Since rocket propulsion is a crucial long-lead element of any space system acquisition or development, the appropriate plan and strategy must be put in place at the outset of the development effort. A deferment of this test planning, or inattention to strategy, will compromise the ability of the development program to achieve its systems reliability requirements and/or its development milestones. It is important for the government leadership and support team, as well as the vehicle and propulsion development team, to give early consideration to this aspect of space propulsion and space transportation work.

Rahman, Shamim A.↗
NASA NTRS2016

Do Astronauts have a Higher Rate of Orthopedic Shoulder Conditions than a Cohort of Working Professionals?

Occupational surveillance of astronaut shoulder injuries began with operational concerns at the Neutral Buoyancy Laboratory (NBL) during Extra Vehicular Activity (EVA) training. NASA has implemented several occupational health initiatives during the past 20 years to decrease the number and severity of injuries, but the individual success rate is unknown. Orthopedic shoulder injury and surgery rates were calculated, but classifying the rates as normal, high or low was highly dependent on the comparison group. The purpose of this study was to identify a population of working professionals and compare orthopedic shoulder consultation and surgery rates.

Laughlin, Mitzi S.↗
DOE OSTI2016

Suppressing active replication of a live attenuated simian immunodeficiency virus vaccine does not abrogate protection from challenge

Although safety concerns preclude the use of live attenuated HIV vaccines in humans, they provide a useful system for identifying the elusive correlates of protective immunity in the SIV/macaque animal model. However, a number of pieces of evidence suggest that protection may result from prior occupancy of susceptible target cells by the vaccine virus rather than the immune response. To address this, we developed a Nef-deletion variant of an RT-SHIV whose active replication could be shut off by treatment with RT-inhibitors. Groups of macaques were inoculated with the ∆Nef-RT-SHIV and immune responses allowed to develop before antiretroviral treatment and subsequent challenge with wild-type SIVmac239. Vaccinated animals either resisted infection fully or significantly controlled the subsequent viremia. However, there was no difference between animals undergoing replication of the vaccine virus and those without. This strongly suggests that competition for available target cells does not play a role in protection. - Highlights: • A Nef-deleted RT-SHIV was used as a live attenuated vaccine in macaques. • Vaccine virus replication was shut down to investigate its role in protection. • Ongoing vaccine virus replication did not appear to be necessary for protection. • An analysis of T- and B-cell responses failed to identify a correlate of protection.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Facet-Dependent Electrical Conductivity Properties of PbS Nanocrystals

In this work, large PbS protruded cubes, edge- and corner-truncated cubes and octahedra, and perfect octahedra with sizes over 200 nm have been synthesized in aqueous solution. By using two surface oxide-free tungsten probes to contact a clean particle, these PbS nanocrystals displayed facet-dependent electrical conductivity behaviors. Both {110} and {100} faces are highly conductive at applied voltages beyond 4 V, but the {111} faces can remain nonconductive even at 5 V. An asymmetric I-V curve was recorded when electrical contacts were made simultaneously on the {110} and {111} facets of a truncated cube. A modified band diagram of PbS is constructed to account for the observed facet-dependent effect. Density of states plots for varying numbers of PbS surface planes show larger areas of conduction band electron occupancy for the (110) and (100) planes than that for the (111) planes at a layer thickness of 3.0-3.4 nm. The work represents that, for the first time, the facet-dependent electrical properties of an n-type semiconductor nanocrystal are directly probed. Lastly, facet-dependent electrical conductivity should be a general semiconductor property and can be exploited to fabricate single-nanocrystal operating electronic components.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Selection of active spaces for multiconfigurational wavefunctions

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Degenerate coupled-cluster theory

A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Møller–Plesset perturbation (ΔMP) theory. For ionized and electron-attached references, it is a coupled-cluster Green’s function, although the present theory is convergent toward the full-configuration-interaction limits, while the Feynman–Dyson many-body Green’s function (MBGF) theory generally is not. Its single-excitation instance is a projection Hartree–Fock theory as per the Thouless theorem, which may be useful for core ionizations, high-spin states, and possibly electron affinities. Additionally, a new multireference coupled-cluster theory for a general model space is developed. This quasidegenerate coupled-cluster (QCC) theory is exactly converging, but not black-box, and intended for strong correlation. Determinant-based, general-order algorithms of ΔCC and QCC theories are implemented and compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with ΔMP and MBGF theories up to the nineteenth order. An algebraic, optimal-scaling algorithm of the ΔCC theory is computer-synthesized at the levels of single excitations (ΔCCS) and of single and double excitations (ΔCCSD). As a result, the order of performance is QCC ≈ ΔCC > EOM-CC > CI at the same order or QCC ≈ ΔCC > ΔMP > MBGF at the same cost scaling.

Hirata, So [University of Illinois at Urbana-Champ↗
DOE OSTI2013

Low-Dose Radiation Cataract and Genetic Determinants of Radiosensitivity

The lens of the eye is one of the most radiosensitive tissues in the body. Ocular ionizing radiation exposure results in characteristic, dose related, progressive lens changes leading to cataract formation. While initial, early stages of lens opacification may not cause visual disability, the severity of such changes progressively increases with dose until vision is impaired and cataract extraction surgery may be required. Because of the transparency of the eye, radiation induced lens changes can easily be followed non-invasively over time. Thus, the lens provides a unique model system in which to study the effects of low dose ionizing radiation exposure in a complex, highly organized tissue. Despite this observation, considerable uncertainties remain surrounding the relationship between dose and risk of developing radiation cataract. For example, a growing number of human epidemiological findings suggest significant risk among various groups of occupationally and accidentally exposed individuals and confidence intervals that include zero dose. Nevertheless, questions remain concerning the relationship between lens opacities, visual disability, clinical cataract, threshold dose and/or the role of genetics in determining radiosensitivity. Experimentally, the response of the rodent eye to radiation is quite similar to that in humans and thus animal studies are well suited to examine the relationship between radiation exposure, genetic determinants of radiosensitivity and cataractogenesis. The current work has expanded our knowledge of the low-dose effects of X-irradiation or high-LET heavy ion exposure on timing and progression of radiation cataract and has provided new information on the genetic, molecular, biochemical and cell biological features which contribute to this pathology. Furthermore, findings have indicated that single and/or multiple haploinsufficiency for various genes involved in DNA repair and cell cycle checkpoint control, such as Atm, Brca1 or Rad9, influence cataract development and thus radiosensitivity. These observations have direct applicability to various human populations including accidentally exposed individuals, interventional medical workers, astronauts and nuclear plant workers.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1975

Results of investigations on a 0.004-scale 140C modified configuration space shuttle vehicle orbiter model (74-0) in the NASA/Langley Research Center hypersonic helium tunnel

Data obtained during a wind tunnel test of a 0.004-scale 140C modified configuration SSV orbiter are documented. The test was conducted during August 1974 with 80 occupancy hours charged, and all runs were conducted at a nominal Mach number of 20 and at Reynolds numbers of 0.7, 1.0, 1.8, and 1,100,000 based on body length. The complete -140C modified model was tested with various elevon settings at angles of attack from 10 to 50 degrees at zero yaw and from angles of sideslip of -10 to +10 at 35 deg angle of attack. The purpose of this test was to obtain high hypersonic longitudinal and lateral-directional stability and control characteristics of the updated SSV configuration.

Hawthorne, P. J.↗
NASA NTRS2010

Combining Epidemiologic Information Across Space Agencies

Space flight is a very unique occupational exposure with potential hazards that are not fully understood. A limited number of individuals have experienced the exposures incurred during space flight, and epidemiologic research would benefit from shared information across space agencies. However, data sharing can be problematic due to agency protection policies for personally identifiable information as well as medical records. Compliance with these protocols in the astronaut population is particularly difficult given the small, high-profile population under study. Creativity in combining data is necessary in order to overcome these difficulties and improve statistical power in research. This study presents methods in meta-analysis that may be used to combine non-attributable data across space agencies so that meaningful conclusions may be drawn about study interests. Methods for combining epidemiologic data across space agencies are presented, and the processes are demonstrated using life-time mortality data in U.S. astronauts and Russian cosmonauts. This proof of concept was found to be an acceptable way of sharing data across agencies, and will be used in the future as more relevant research interests are identified.

Minard, Charles G.↗
DOE OSTI2022

Orbital magnetization of Floquet topological systems

A general expression for the orbital magnetization of a Floquet system is derived. The expression holds for a clean system, and is valid for any driving protocol, and arbitrary occupation of the bands. The orbital magnetization is shown to be large not only for Chern insulators, but also for anomalous phases where the Chern number does not fully account for the topology. In addition, the orbital magnetization is shown to take significant values both for a thermal equilibrium occupation of the Floquet bands, and for occupations determined by a quantum quench from an initial state with zero orbital magnetization. For the latter case, the orbital magnetization is shown to be highly sensitive to van Hove singularities of the Floquet bands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗