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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Study of CC2p0$\pi$ Event Topologies in the MicroBooNE Detector

The precise measurement of neutrino oscillation parameters is a critical component of understanding neutrino oscillations. As future accelerator neutrino experiments will utilize 40 Ar as the target nucleus it is important to understand the influence that nuclear effects have on neutrino-nucleon cross-sections. Processes that lead to 2 particle-2 hole (2p2h) states are of particular interest, such as Meson Exchange Currents (MEC) and Short Range Nucleon-Nucleon Correlations. In the MicroBooNE detector, a charged-current interaction that produced a 2p2h state would create a 3 track topology with 1 muon and 2 protons connected to a single interaction vertex (CC2p0$\pi$). We present here a study of MicroBooNE’s potential sensitivity to a variety of MEC models as well as CC2p0$\pi$ events selected from a combination of data collected from the first 3 years of running of the MicroBooNE experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Improved Predictive Tools for Structural Properties of Metal–Organic Frameworks

The accurate determination of structural parameters is necessary to understand the electronic and magnetic properties of metal–organic frameworks (MOFs) and is a first step toward accurate calculations of electronic structure and function for separations and catalysis. Theoretical structural determination of metal-organic frameworks is particularly challenging because they involve ionic, covalent, and noncovalent interactions, which must be treated in a balanced fashion. Here, we apply a diverse group of local exchange-correlation functionals (PBE, PBEsol, PBE-D2, PBE-D3, vdW-DF2, SOGGA, MN15-L, revM06-L, SCAN, and revTPSS) to a broad test set of MOFs to seek the most accurate functionals to study various structural aspects of porous solids, in particular to study lattice constants, unit cell volume, two types of pore size characteristics, bond lengths, bond angles, and torsional angles). The recently developed meta functionals revM06-L and SCAN, without adding any molecular mechanics terms, are able to predict more accurate structures than previously recommended functionals, both those without molecular mechanics terms (PBE, PBEsol, vdW-DF2, and revTPSS) and those with them (PBE-D2 and PBE-D3). To provide a broader test, these two functionals are also tested for lattice constants and band gaps of unary, binary, and ternary semiconductors.

36 MATERIALS SCIENCE↗
NASA NTRS1966

Charge ratio of cosmic ray electrons.

Charge ratio of cosmic ray electrons, examining excitation of baryon resonances in high energy collisions with no exchange of isospin

ELECTRON COLLISION↗
NASA NTRS1978

Early climate on earth-reduced gas models and early climate on Mars-reduced gas and obliquity models

At high obliquity, Martian polar ground temperatures could exceed the melting point of ice for considerable periods of time (approximately 90 Earth days). Under special conditions ice itself might melt. Carbon dioxide adsorbed on the Martian regolith is not expected to buffer the seasonal pressure wave except in the unlikely event that the soil pore size is very large (50 micron). For a basaltic soil composition the maximum CO2 that could be desorbed over obliquity time scales due to thermal forces is a few millibars. At low obliquities the atmospheric pressures may drop, desorbing the soil. The only means to achieve higher CO2 pressures is to have much higher planet-wide temperatures due to some greenhouse effect, or to be at an epoch before the regolith or carbonates formed. The water ice budget between north and south polar caps was considered and summer sublimation rates imply that the ice could be exchanged between the poles during obliquity cycles. A critical factor in the polar cap water budget is the interaction of water and dust. The origin of the Martian polar laminae is probably due to variations in this interaction.

Toon, O. B.↗
NASA NTRS2006

A Lagrangian trajectory view on transport and mixing processes between the eye, eyewall, and environment using a high resolution simulation of Hurricane Bonnie (1998)

The transport and mixing characteristics of a large sample of air parcels within a mature and vertically sheared hurricane vortex is examined. Data from a high-resolution (2 km grid spacing) numerical simulation of "real-case" Hurricane Bonnie (1998) is used to calculate Lagrangian trajectories of air parcels in various subdomains of the hurricane (namely, the eye, eyewall, and near-environment) to study the degree of interaction (transport and mixing) between these subdomains. It is found that 1) there is transport and mixing from the low-level eye to the eyewall that carries high- Be air which can enhance the efficiency of the hurricane heat engine; 2) a portion of the low-level inflow of the hurricane bypasses the eyewall to enter the eye, that both replaces the mass of the low-level eye and lingers for a sufficient time (order 1 hour) to acquire enhanced entropy characteristics through interaction with the ocean beneath the eye; 3) air in the mid- to upper-level eye is exchanged with the eyewall such that more than half the air of the eye is exchanged in five hours in this case of a sheared hurricane; and 4) that one-fifth of the mass in the eyewall at a height of 5 km has an origin in the mid- to upper-level environment where thet(sub e) is much less than in the eyewall, which ventilates the ensemble average eyewall theta(sub e) by about 1 K. Implications of these findings to the problem of hurricane intensity forecasting are discussed.

Cram, Thomas A.↗
NASA NTRS2020

The Inner Solar System's Habitability Through Time

Earth, Mars, and Venus, irradiated by an evolving Sun, have had fascinating but diverging histories of habitability. Although only Earth’s surface is considered to be habitable today, all three planets might have simultaneously been habitable early in their histories to microbial life. We consider how physical processes that have operated similarly or differently on these planets determined the creation and evolution of their atmospheres and surfaces over time. These include the geophysical and geochemical processes that determined the style of their interior dynamics and the presence or absence of a magnetic field; the surface-atmosphere exchange processes that acted as a source or sink for atmospheric mass and composition; the Sun-planet interactions that controlled escape of gases to space; and the atmospheric processes that interacted with these to determine climate and habitability. The divergent evolutions of the three planets provide an invaluable context for thinking about the search for life outside the Solar System.

Anthony D. Del Genio↗
DOE OSTI2025

A study of the 2H(e, e ' p)X reaction at large 4-momentum transfers and high missing momenta

The short-range region (r < 1 fm) of the nucleon-nucleon potential may be studied via deuteron electro-disintegration. Such an experiment was done at Hall C of Jefferson Lab at 4-momentum transfers of Q^2 = 4.07 (GeV/c)^2 and reaching missing momenta up to 900 MeV/c. At such settings, complications arising from Meson Exchange Currents (MEC) and Isobar Currents are expected to be signifi cantly minimized, as well as Final State Interactions (FSI) at recoiling angles of ¿_Xq ~ 40 deg. This makes comparisons of experimental and theoretical cross sections less model dependent. A luminosity study was done to determine the reduction of liquid deuterium targets with increasing beam current. A 2.8% in the charge yield was found between 0 to 70 µA. Electron scattering from the walls of the target chamber was determined to be negligible, but caution was taken by considering scattering events away from the walls. A neutron was found to be contained in the missing mass spectrum for each missing momentum setting. Extraction of the deuteron total cross section is still on going.

Love, Shawn [California State Univ. (CalState), Lo↗
DOE OSTI2020

A step in the direction of resolving the paradox of Perdew–Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation

The Perdew-Zunger(PZ) self-interaction correction (SIC) was designed to correct the one-electron limit of any approximate density functional for the exchange-correlation (xc) energy, while yielding no correction to the exact functional. Unfortunately, it spoils the slowly-varying-in-space limits of the uncorrected approximate functionals, where those functionals are right by construction. The right limits can be restored by locally scaling down the energy density of the PZ SIC in many-electron regions, but then a spurious correction to the exact functional would be found unless the self-Hartree and exact self-xc terms of the PZ SIC energy density were expressed in the same gauge. Only the local density approximation satisfies the same-gauge condition for the energy density, which explains why the recent local-scaling SIC (LSIC) is found here to work excellently for atoms and molecules only with this basic approximation, and not with the more advanced generalized gradient approximations (GGAs) and meta-GGAs, which lose the Hartree gauge via simplifying integrations by parts. The transformation of energy density that achieves the Hartree gauge for the exact xc functional can also be applied to approximate functionals. Doing so leads to a simple scaled-down self-interaction (sdSIC) correction that is typically much more accurate than PZ SIC in tests for many molecular properties (including equilibrium bond lengths). The present work shows unambiguously that the largest errors of PZ SIC applied to standard functionals at three levels of approximation can be removed by restoring their correct slowlyvarying- density limits. Here, it also confirms the relevance of these limits to atoms and molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

NMR Relaxometry and Diffusometry Analysis of Dynamics in Ionic Liquids and Ionogels for Use in Lithium-Ion Batteries

Solvation and transport properties of methlyviologen dichloride in mixtures of choline chloride (ChCl) and ethylene glycol (EG) including the deep eutectic solvent (DES) ethaline were studied through physical property measurements, cyclic voltammetry, and Raman spectroscopy. The transport properties of the solvate structures in ethaline and ChCl:EG mixtures were compared to a well-studied ionic liquid (IL), 1-methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [PYR13][TFSI] through the lens of hole theory. Exchanging the chloride anion of ethaline with bis(trifuoromethylsufonyl)imide) anion, [TFSI], is found to increase the fluidity of the solvent and promoted stronger solute-solvent interactions. Raman spectroscopy shows that methylviologen is solvated by EG in solutions with ChTFSI but interstitially accommodated in void spaces in both ChCl solutions and [PYR13][TFSI]. Complex solvents such as DESs are regarded as “designer solvents” and we demonstrate that the physical properties and solvation characteristics of these fluids can be varied by anion exchange of hydrogen bond acceptors.

25 ENERGY STORAGE↗
NASA NTRS2005

Ion Engine Plume Interaction Calculations for Prototypical Prometheus 1

Prometheus 1 is a conceptual mission to demonstrate the use of atomic energy for distant space missions. The hypothetical spacecraft design considered in this paper calls for multiple ion thrusters, each with considerably higher beam energy and beam current than have previously flown in space. The engineering challenges posed by such powerful thrusters relate not only to the thrusters themselves, but also to designing the spacecraft to avoid potentially deleterious effects of the thruster plumes. Accommodation of these thrusters requires good prediction of the highest angle portions of the main beam, as well as knowledge of clastically scattered and charge exchange ions, predictions for grid erosion and contamination of surfaces by eroded grid material, and effects of the plasma plume on radio transmissions. Nonlinear interactions of multiple thrusters are also of concern. In this paper we describe two- and three-dimensional calculations for plume structure and effects of conceptual Prometheus 1 ion engines. Many of the techniques used have been validated by application to ground test data for the NSTAR and NEXT ion engines. Predictions for plume structure and possible sputtering and contamination effects will be presented.

Mandell, Myron J.↗
NASA NTRS2016

Solar System Exploration Research Virtual Institute: Year Three Annual Report 2016

NASA's Solar System Exploration Research Virtual Institute (SSERVI) is pleased to present the 2016 Annual Report. Each year brings new scientific discoveries, technological breakthroughs, and collaborations. The integration of basic research and development, industry and academic partnerships, plus the leveraging of existing technologies, has further opened a scientific window into human exploration. SSERVI sponsorship by the NASA Science Mission Directorate (SMD) and Human Exploration and Operations Mission Directorate (HEOMD) continues to enable the exchange of insights between the human exploration and space science communities, paving a clearer path for future space exploration. SSERVI provides a unique environment for scientists and engineers to interact within multidisciplinary research teams. As a virtual institute, the best teaming arrangements can be made irrespective of the geographical location of individuals or laboratory facilities. The interdisciplinary science that ensues from virtual and in-person interactions, both within the teams and across team lines, provides answers to questions that many times cannot be foreseen. Much of this research would not be accomplished except for the catalyzing, collaborative environment enabled by SSERVI. The SSERVI Central Office, located at NASA Ames Research Center in Silicon Valley, California, provides the leadership, guidance and technical support that steers the virtual institute. At the start of 2016, our institute had nine U.S. teams, each mid-way through their five-year funding cycle, plus nine international partnerships. However, by the end of the year we were well into the selection of four new domestic teams, selected through NASA's Cooperative Agreement Notice (CAN) process, and a new international partnership. Understanding that human and robotic exploration is most successful as an international endeavor, international partnerships collaborate with SSERVI domestic teams on a no-exchange of funds basis, but they bring a richness to the institute that is priceless. The international partner teams interact with the domestic teams in a number of ways, including sharing students, scientific insights, and access to facilities. We are proud to introduce our newest partnership with the Astrophysics and Planetology Research Institute (IRAP) in Toulouse, France. In 2016, Principal Investigator Dr. Patrick Pinet assembled a group of French researchers who will contribute scientific and technological expertise related to SSERVI research. SSERVI's domestic teams compete for five-year funding opportunities through proposals to a NASA CAN every few years. Having overlapping proposal selection cycles allows SSERVI to be more responsive to any change in direction NASA might experience, while providing operational continuity for the institute. Allowing new teams to blend with the more seasoned teams preserves corporate memory and expands the realm of collaborative possibilities. A key component of SSERVI's mission is to grow and maintain an integrated research community focused on questions related to the Moon, Near-Earth asteroids, and the moons of Mars. The strong community response to CAN-2 demonstrated the health of that effort. NASA Headquarters conducted the peer-review of 22 proposals early in 2017 and, based on recommendations from the SSERVI Central Office and NASA SSERVI program officers, the NASA selecting officials determined the new teams in the spring of 2017. We are pleased to welcome the CAN-2 teams into the institute, and look forward to the collaborations that will develop with the current teams. The new teams are: The Network for Exploration and Space Science (NESS) team (Principal Investigator (PI) Prof. Jack Burns/U. Colorado); the Exploration Science Pathfinder Research for Enhancing Solar System Observations (ESPRESSO) team (PI Dr. Alex Parker/Southwest Research Institute); the Toolbox for Research and Exploration (TREX) team (PI Dr. Amanda Hendrix/ Planetary Science Institute); and the Radiation Effects on Volatiles and Exploration of Asteroids & Lunar Surfaces (REVEALS) team (PI Prof. Thomas Orlando/ Georgia Institute of Technology). In this report, you will find an overview of the 2016 leadership activities of the SSERVI Central Office, reports prepared by the U.S. teams from CAN-1, and achievements from several of the SSERVI international partners. Reflecting on the past year's discoveries and advancements serves as a potent reminder that there is still a great deal to learn about NASA's target destinations. Innovation in the way we access, sample, measure, visualize, and assess our target destinations is needed for further discovery. At the same time, let us celebrate how far we have come, and strongly encourage a new generation that will make the most of future opportunities.

Pendleton, Yvonne↗
DOE OSTI2020

From Salt in Solution to Solely Ions: Solvation of Methyl Viologen in Deep Eutectic Solvents and Ionic Liquids

Solvation and transport properties of methlyviologen dichloride in mixtures of choline chloride (ChCl) and ethylene glycol (EG) including the deep eutectic solvent (DES) ethaline were studied through physical property measurements, cyclic voltammetry, and Raman spectroscopy. The transport properties of the solvate structures in ethaline and ChCl:EG mixtures were compared to a well-studied ionic liquid (IL), 1-methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [PYR 13 ][TFSI] through the lens of hole theory. Here by exchanging the chloride anion of ethaline with bis(trifuoromethylsufonyl)imide) anion, [TFSI], is found to increase the fluidity of the solvent and promoted stronger solute-solvent interactions. Raman spectroscopy shows that methylviologen is solvated by EG in solutions with ChTFSI but interstitially accommodated in void spaces in both ChCl solutions and [PYR 13 ][TFSI]. Here, complex solvents such as DESs are regarded as “designer solvents” and we demonstrate that the physical properties and solvation characteristics of these fluids can be varied by anion exchange of hydrogen bond acceptors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

The NASA Scientific and Technical Information (STI) Program's Implementation of Open Archives Initiation (OAI) for Data Interoperability and Data Exchange

Interoperability and data-exchange are critical for the survival of government information management programs. E-government initiatives are transforming the way the government interacts with the public. More information is to be made available through web-enabled technologies. Programs such as the NASA's Scientific and Technical Information (STI) Program Office are tasked to find more effective ways to disseminate information to the public. The NASA STI Program is an agency-wide program charged with gathering, organizing, storing, and disseminating NASA-produced information for research and public use. The program is investigating the use of a new protocol called the Open Archives Initiative (OAI) as a means to improve data interoperability and data collection. OAI promotes the use of the OAI harvesting protocol as a simple way for data sharing among repositories. In two separate initiatives, the STI Program is implementing OAI In collaboration with the Air Force, Department of Energy, and Old Dominion University, the NASA STI Program has funded research on implementing the OAI to exchange data between the three organizations. The second initiative is the deployment of OAI for the NASA technical report server (TRS) environment. The NASA TRS environment is comprised of distributed technical report servers with a centralized search interface. This paper focuses on the implementation of OAI to promote interoperability among diverse data repositories.

Rocker, JoAnne↗
DOE OSTI2022

Computing x-ray absorption spectra from linear-response particles atop optimized holes

State specific orbital optimized density functional theory (OO-DFT) methods, such as restricted open-shell Kohn–Sham (ROKS), can attain semiquantitative accuracy for predicting x-ray absorption spectra of closed-shell molecules. OO-DFT methods, however, require that each state be individually optimized. In this Communication, we present an approach to generate an approximate core-excited state density for use with the ROKS energy ansatz, which is capable of giving reasonable accuracy without requiring state-specific optimization. Herein, this is achieved by fully optimizing the core-hole through the core-ionized state, followed by the use of electron-addition configuration interaction singles to obtain the particle level. This hybrid approach can be viewed as a DFT generalization of the static-exchange (STEX) method and can attain ~0.6 eV rms error for the K-edges of C–F through the use of local functionals, such as PBE and OLYP. This ROKS(STEX) approach can also be used to identify important transitions for full OO ROKS treatment and can thus help reduce the computational cost of obtaining OO-DFT quality spectra. ROKS(STEX), therefore, appears to be a useful technique for the efficient prediction of x-ray absorption spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

Technology Candidates for Air-to-Air and Air-to-Ground Data Exchange

Technology Candidates for Air-to-Air and Air-to-Ground Data Exchange is a two-year research effort to visualize the U. S. aviation industry at a point 50 years in the future, and to define potential communication solutions to meet those future data exchange needs. The research team, led by XCELAR, was tasked with identifying future National Airspace System (NAS) scenarios, determining requirements and functions (including gaps), investigating technical and business issues for air, ground, & air-to-ground interactions, and reporting on the results. The project was conducted under technical direction from NASA and in collaboration with XCELAR's partner, National Institute of Aerospace, and NASA technical representatives. Parallel efforts were initiated to define the information exchange functional needs of the future NAS, and specific communication link technologies to potentially serve those needs. Those efforts converged with the mapping of each identified future NAS function to potential enabling communication solutions; those solutions were then compared with, and ranked relative to, each other on a technical basis in a structured analysis process. The technical solutions emerging from that process were then assessed from a business case perspective to determine their viability from a real-world adoption and deployment standpoint. The results of that analysis produced a proposed set of future solutions and most promising candidate technologies. Gap analyses were conducted at two points in the process, the first examining technical factors, and the second as part of the business case analysis. In each case, no gaps or unmet needs were identified in applying the solutions evaluated to the requirements identified. The future communication solutions identified in the research comprise both specific link technologies and two enabling technologies that apply to most or all specific links. As a result, the research resulted in a new analysis approach, viewing the underlying architecture of ground-air and air-air communications as a whole, rather than as simple "link to function" paired solutions. For the business case analysis, a number of "reference architectures" were developed for both the future technologies and the current systems, based on three typical configurations of current aircraft. Current and future costs were assigned, and various comparisons made between the current and future architectures. In general, it was assumed that if a future architecture offers lower cost than the current typical architecture, while delivering equivalent or better performance, it is likely that the future solution will gain industry acceptance. Conversely, future architectures presenting higher costs than their current counterparts must present a compelling benefit case in other areas or risk a lack of industry acceptance. The business case analysis consistently indicated lower costs for the proposed future architectures, and in most cases, significantly so. The proposed future solutions were found to offer significantly greater functionality, flexibility, and growth potential over time, at lower cost, than current systems. This was true for overall, fleet-wide equipage for domestic and oceanic air carriers, as well as for single, General Aviation (GA) aircraft. The overall research results indicate that all identified requirements can be met by the proposed solutions with significant capacity for future growth. Results also illustrate that the majority of the future communication needs can be met using currently allocated aviation RF spectrum, if used in more effective ways than it is today. A combination of such optimized aviation-specific links and commercial communication systems meets all identified needs for the 50-year future and beyond, with the caveat that a new, overall function will be needed to manage all information exchange, individual links, security, cost, and other factors. This function was labeled "Delivery Manager" (DM) within this research. DM employs a distributed client/server architecture, for both airborne and ground communications architectures. Final research results included identifying the most promising candidate technologies for the future system, conclusions and recommendations, and identifying areas where further research should be considered.

Communications↗
DOE OSTI2020

Crystal structure of a guanine nucleotide exchange factor encoded by the scrub typhus pathogen Orientia tsutsugamushi

Rho family GTPases regulate an array of cellular processes and are often modulated by pathogens to promote infection. In this work, we identify a cryptic guanine nucleotide exchange factor (GEF) domain in the OtDUB protein encoded by the pathogenic bacterium Orientia tsutsugamushi. A proteomics-based OtDUB interaction screen identified numerous potential host interactors, including the Rho GTPases Rac1 and Cdc42. We discovered a domain in OtDUB with Rac1/Cdc42 GEF activity (OtDUB GEF ), with higher activity toward Rac1 in vitro. While this GEF bears no obvious sequence similarity to known GEFs, crystal structures of OtDUB GEF alone (3.0 Å) and complexed with Rac1 (1.7 Å) reveal striking convergent evolution, with a unique topology, on a V-shaped bacterial GEF fold shared with other bacterial GEF domains. Structure-guided mutational analyses identified residues critical for activity and a mechanism for nucleotide displacement. Ectopic expression of OtDUB activates Rac1 preferentially in cells, and expression of the OtDUBGEF alone alters cell morphology. Cumulatively, this work reveals a bacterial GEF within the multifunctional OtDUB that co-opts host Rac1 signaling to induce changes in cytoskeletal structure.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

Aeronautical Satellite-Assisted Process for Information Exchange Through Network Technologies (Aero-SAPIENT) Conducted

Broadband satellite communications for aeronautics marries communication and network technologies to address NASA's goals in information technology base research and development, thereby serving the safety and capacity needs of the National Airspace System. This marriage of technology increases the interactivity between airborne vehicles and ground systems. It improves decision-making and efficiency, reduces operation costs, and improves the safety and capacity of the National Airspace System. To this end, a collaborative project called the Aeronautical Satellite Assisted Process for Information Exchange through Network Technologies, or Aero-SAPIENT, was conducted out of Tinker AFB, Oklahoma, during November and December 2000.

Zernic, Michael J.↗
DOE OSTI2021

Ab Initio Calculation of the Contact Operator Contribution in the Standard Mechanism for Neutrinoless Double Beta Decay

Starting from chiral nuclear interactions, we evaluate the contribution of the leading-order contact transition operator to the nuclear matrix element (NME) of neutrinoless double-beta decay, assuming a light Majorana neutrino-exchange mechanism. The corresponding low-energy constant (LEC) is determined by fitting the transition amplitude of the nn → ppe – e – process to a recently proposed synthetic datum. We examine the dependence of the amplitude on similarity renormalization group (SRG) scale and chiral expansion order of the nuclear interaction, finding that both dependences can be compensated to a large extent by readjusting the LEC. We evaluate the contribution of both the leading-order contact operator and standard long-range operator to the neutrinoless double-beta decays in the light nuclei 6,8 He and the candidate nucleus 48 Ca. Furthermore, our results provide the first clear demonstration that the contact term enhances the NME by 43(7)% in 48 Ca, where the uncertainty is propagated from the synthetic datum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗