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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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NASA NTRS1996

Optimal Estimation of Rain-Rate Profiles from Single-Frequency Radar Echoes

The significant ambiguities inherent in the determination of a particular vertical rain intensity profile from a given time profile of radar echo powers measured by a downward-looking (spaceborne or airborne) radar at a single attenuating frequency are well documented. Indeed, one already knows that by appropriately varying the parameters of the reflectivity-rain rate (Z-R) and/or attenuation-rain rate (k- R) relationships one can produce several substantially different rain-rate profiles that would produce the same radar power profile. Imposing the additional constraint that the path-averaged rain rate be a given fixed number does reduce the ambiguities but falls far short of eliminating them. While formulas to generate all mutually ambiguous rain-rate profiles from a given profile of received radar reflectivities have already been derived, there remains to be produced a quantitative measure to assess how likely each of these profiles is, what the appropriate "average" profile should be, and what the "variance" of these multiple solutions is. To do this, one needs to spell out the stochastic constraints that can allow us to make sense of the words "average" and "variance" in a mathematically rigorous way. Such a quantitative approach would be particularly well suited for such systems as the planned precipitation radar of the Tropical Rainfall Measuring Mission (TRMM). Indeed, one would then be able to use the radar reflectivities measured by the TRMM radar to estimate the rain-rate profile that would most likely have produced the measurements, as well as the uncertainty in the estimated rain rates as a function of range. Such an optimal approach is described in this paper.

Haddad, Ziad S.↗
NASA NTRS1997

Studies of the Interactions Between Vestibular Function and Tactual Orientation Display Systems

When humans experience conditions in which internal vestibular cues to movement or spatial location are challenged or contradicted by external visual information, the result can be spatial disorientation, often leading to motion sickness. Spatial disorientation can occur in any situation in which the individual is passively moved in the environment, but is most common in automotive, aircraft, or undersea travel. Significantly, the incidence of motion sickness in space travel is great: The majority of individuals in Shuttle operations suffer from the syndrome. Even after the space-sickness-producing influences of spatial disorientation dissipate, usually within several days, there are other situations in which, because of the absence of reliable or familiar vestibular cues, individuals in space still experience disorientation, resulting in a reliance on the already preoccupied sense of vision. One possible technique to minimize the deleterious effects of spatial disorientation might be to present attitude information (including orientation, direction, and motion) through another less-used sensory modality - the sense of touch. Data from experiences with deaf and blind persons indicate that this channel can provide useful communication and mobility information on a real-time basis. More recently, technologies have developed to present effective attitude information to pilots in situations in which dangerously ambiguous and conflicting visual and vestibular sensations occur. This summers project at NASA-Johnson Space Center will evaluate the influence of motion-based spatial disorientation on the perception of tactual stimuli representing veridical position and orientation information, presented by new dynamic vibrotactile array display technologies. In addition, the possibility will be explored that tactile presentations of motion and direction from this alternative modality might be useful in mitigating or alleviating spatial disorientation produced by multi-axis rotatory systems, monitored by physiological recording techniques developed at JSC.

Cholewiak, Roger W.↗
NASA NTRS2014

A Method for Obtaining High Time and Spatial Resolution Convective Cloud Top Data for the TTL

A method for obtaining high time and spatial resolution convective cloud top data for the TTL Leonhard Pfister, Eric Jensen, Rei Ueyama, Eliot Atlas, and Maria Navarro Convective systems in the tropics have a maximum in the cloud top altitude distribution of about 13.5 km. However, there is a significant tail to this distribution -- a few percent reach the cold point tropopause (CPT) at 16.5 km, and there has been clear evidence of convective mass deposited as high as 19 km in the tropics. The region between 13.5 km and the cold point tropopause is transitional, between the free tropical troposphere where convective mixing dominates, and the stratosphere where slow upward ascent dominates. In this region (the Tropical Tropopause Layer), convective injection, slow ascent, and mixing from midlatitudes all have similar time scales. So, even though only a few percent of convective systems reach the CPT, convection is important. Space Based Lidar and cloud radar measurements have yielded information about long term average statistical distributions of cloud altitude as a function of location. However, we also need time-dependent cloud top altitude and cloud top potential temperature information, primarily to understand the water vapor and TTL cloud distributions. This is because the effect of convection depends on the local temperature, and on the subsequent temperature history. Time dependent cloud top information is also needed to understand short-lived tracers because cross-isentropic flow is time and space dependent. This paper presents a method of obtaining time and space dependent convective cloud top theta (and altitude) information using 3-hourly geostationary brightness temperature data, coupled with global 3 -hourly rainfall estimates and temperature analyses. We explore different mixing algorithms to obtain the most reasonable agreement with near-simultaneous observations by cloudsat and calipso. Observations of short-lived tracers from ATTREX, coupled with short-term trajectories are used to test the method's accuracy. An important caveat is the ambiguity of evaluating convective cloud top altitudes under from combined cloudsat and calipso measurements.

cold point tropopause (CPT)↗
NASA NTRS1992

Optimal Estimation of Rain Rate Profiles from Single-Frequency Radar Echoes

The significant ambiguities inherent in the determination of a particular vertical rain intensity profile from a given time profile of radar echo powers measured by a downward-looking (spaceborne or airborne) radar at a single attenuating frequency are well-documented. Indeed, one already knows that by appropriately varying the parameters of the reflectivity-rain-rate (Z - R) and/or attenuation-rain-rate (k - R) relationships, one can produce several substantially different hypothetical rain rate profiles which would have the same radar power profile. Imposing the additional constraint that the path-averaged rain-rate be a given fixed number does reduce the ambiguities but falls far short of eliminating them. While we now know how to generate as many mutually ambiguous rain-rate profiles from a given profile of received radar reflectivities as we like, there remains to produce a quantitative measure to assess how likely each of these profiles is, what the appropriate 'average' profile should be, and what the 'variance' of these multiple solutions is. Of course, in order to do this, one needs to spell out the stochastic constraints that can allow us to make sense of the words 'average' and 'variance' in a mathematically rigorous way. Such a quantitative approach would be particularly well-suited for such systems as the proposed Precipitation Radar of the Tropical Rainfall Measuring Mission (TRMM). Indeed, one would then be able to use the radar reflectivities measured by the TRMM radar from one particular look in order to estimate the most likely rain-rate profile that would have produced the measurements, as well as the uncertainty in the estimated rain-rates as a function of range. Such an optimal approach is described in this paper.

deep space flight computer real-time advanced spac↗
DOE OSTI2025

Enhancing the Survivability of Power Systems With Grid-Edge DERs Against DoS Attacks

Power system survivability, defined as the ability of a system to maintain steady-state functionality under varying operational conditions, reflects its resilience against disturbances. While existing research primarily focuses on physical-layer disturbances, the increasing prevalence of grid-edge DERs, which are primarily used for integrating renewable energy, has significantly expanded the cyber attack surface. As a result, operational disruptions caused by cyber threats are posing significant challenges to system survivability and cannot be overlooked. To fill this gap, we redefine system survivability to incorporate the cyber layer’s status and propose a Distributionally Robust Optimization (DRO) approach to enhance power system survivability against potential cyber-physical threats. In this paper, we first analyze the operational guidelines of systems with a high penetration of DERs under various cyber network conditions and redefine survivability in this context. Next, we focus on the most common cyber threat, Denial-of-Service (DoS) attacks, and develop a corresponding attack model. This model allows for the creation of a kernel-based ambiguity set that captures attack uncertainties using historical data. Finally, we transform the proposed DRO model as a tractable optimization problem, with its solution providing an optimal cyber redundancy plan to enhance system survivability in DoS attack scenarios. Simulation results on the IEEE 13-node and 123-node test feeders demonstrate the effectiveness of our proposed model in improving system survivability. This model can also be expanded to include other types of common attacks and serve as a comprehensive planning tool to improve overall cyber physical survival of the system.

cybersecurity↗
NASA NTRS1999

Remote Sensing of Rain

The first problem addressed concerns passive-microwave rain retrievals. Most current approaches start by building off-line a cloud-model-derived database. Given data, the retrieval algorithms search the database for the microwave temperatures "closest" to the observed data, then after some fine-tuning (performed in different ways by different implementations) the rain is estimated to be that which corresponds to the selected (and fine-tuned) set of database temperatures. These approaches have three drawbacks: they cannot properly take into account the ambiguities which arise from the fact that several rain scenarios can produce the same observed temperatures; they are quite inefficient since they require manipulating a large database along with often complex "fine-tuning" procedures; and they cannot refine their estimates if additional data is available. This past year we have derived closed formulae relating observed microwave brightness temperatures, T(sub b), and the underlying rain rates, R: average T(sub b) =f (rain) and average rain = g (T(sub b)), along with the corresponding covariance matrices. These results are sufficient to describe the conditional probabilities p(R/T(sub b)) and p(T(sub b)/R) to second order. Progress has also been made towards deriving a robust description of the rain drop size distribution (DSD). The widespread approach consisting in parameterizing the DSD as a gamma-distribution in terms of the drop diameter D suffers from the facts that, in reality, the DSD is not a smooth function of D and that the largely arbitrary Gamma model imposes unintended behavior, which has implications on any quantities derived from the DSD model. We have therefore developed a non-parametric yet practical description of the DSD, which is particularly well-suited for use in remote-sensing applications. The diagram on the left shows a comparison between an actual DSD sample and the truncated non-parametric representation. One figure shows the relation between radar reflectivity and rain rate derived using this representation. Validation of the Tropical Rainfall Measuring Mission (TRMM) radar-radiometer combined R and DSD algorithm is underway. This algorithm was designed to make optimal use of the instantaneous reflectivity profiles measured by the TRMM radar and the microwave brightness temperatures measured by the TRMM passive radiometer. So far, it appears to be the most reliable TRMM rain algorithm.

Haddad, Ziad S.↗
NASA NTRS1999

In Situ Identification of Mineral Resources with an X-Ray-Optical "Hands-Lens" Instrument

The recognition of material resources on a planetary surface requires exploration strategies not dissimilar to those employed by early field geologists who searched for ore deposits primarily from surface clues. In order to determine the location of mineral ores or other materials, it will be necessary to characterize host terranes at regional or subregional scales. This requires geographically broad surveys in which statistically significant numbers of samples are rapidly scanned from a roving platform. To enable broad-scale, yet power-conservative planetary-surface exploration, we are developing an instrument that combines x-ray diffractometry (XRD), x-ray fluorescence spectrometry (XRF), and optical capabilities; the instrument can be deployed at the end of a rover's robotic arm, without the need for sample capture or preparation. The instrument provides XRD data for identification of mineral species and lithological types; diffractometry of minerals is conducted by ascertaining the characteristic lattice parameters or "d-spacings" of mineral compounds. D-spacings of 1.4 to 25 angstroms can be determined to include the large molecular structures of hydrated minerals such as clays. The XRF data will identify elements ranging from carbon (Atomic Number = 6) to elements as heavy as barium (Atomic Number = 56). While a sample is being x-rayed, the instrument simultaneously acquires an optical image of the sample surface at magnifications from lx to at least 50x (200x being feasible, depending on the sample surface). We believe that imaging the sample is extremely important as corroborative sample-identification data (the need for this capability having been illustrated by the experience of the Pathfinder rover). Very few geologists would rely on instrument data for sample identification without having seen the sample. Visual inspection provides critical recognition data such as texture, crystallinity, granularity, porosity, vesicularity, color, lustre, opacity, and so forth. These data can immediately distinguish sedimentary from igneous rocks, for example, and can thus eliminate geochemical or mineral ambiguities arising, say between arkose and granite. It would be important to know if the clay being analyzed was part of a uniform varve deposit laid down in a quiescent lake, or the matrix of a megabreccia diamictite deposited as a catastrophic impact ejecta blanket. The unique design of the instrument, which combines Debye-Scherrer geometry with elements of standard goniometry, negates the need for sample preparation of any kind, and thus negates the need for power-hungry and mechanically-complex sampling systems that would have to chip, crush, sieve, and mount the sample for x-ray analysis. Instead, the instrument is simply rested on the sample surface of interest (like a hand lens); the device can interrogate rough rock surfaces, coarse granular material, or fine rock flour. A breadboard version of the instrument has been deployed from the robotic arm of the Marsokhod rover in field trials at NASA Ames, where large vesicular boulders were x-rayed to demonstrate the functionality of the instrument design, and the ability of such a device to comply with constraints imposed by a roving platform. Currently under development is a flight prototype concept of this instrument that will weigh 0.3 kg, using about 4500 J of energy per sample analysis. It requires about 5 min. for XRD analysis, and about 30 min. for XRF interrogation. Its small mass and rugged design make it ideal for deployment on small rovers of the type currently envisaged for the exploration of Mars (e.g., Sojourner-scale platforms). The design utilizes a monolithic P-N junction photodiode pixel array for XRD, a Si PIN photodiode/avalanche photodiode system for XRF, and an endoscopic imaging camera system unobtrusively embedded between the detectors and the x-ray source (the endoscope with its board-mounted camera can be adapted for IR light in addition to visible wavelenths. A rugged, miniature (7 cu cm) x-ray source for the instrument has already been breadboarded.

Marshall, J.↗
NASA NTRS2014

GRAIL Refinements to Lunar Seismic Structure

Joint interpretation of disparate geophysical datasets helps reduce drawbacks that can result from analyzing them individually. The Apollo seismic network was situated on the lunar nearside surface in a roughly equilateral triangle having sides approximately 1000 km long, with stations 12/14 nearly co-located at one corner. Due to this limited geographical extent, near-surface ray coverage from moonquakes is low, but increases with depth. In comparison, gravity surveys and their resulting gravity anomaly maps have traditionally offered optimal resolution at crustal depths. Gravimetric maps and seismic data sets are therefore well suited to joint inversion, since the complementary information reduces inherent model ambiguity. Previous joint inversions of the Apollo seismic data (seismic phase arrival times) and Clementine- or Lunar Prospector-derived gravity data (mass and moment of inertia) attempted to recover the subsurface structure of the Moon by focusing on hypothetical lunar compositions that explored the density/velocity relationship. These efforts typically searched for the best fitting thermodynamically calculated velocity/density model, and allowed variables like core size, velocity, and/or composition to vary freely. Seismic velocity profiles derived from the Apollo seismic data through travel time inversion vary both in the depth of the crust and mantle layers, and the seismic velocities and densities assigned to those layers. The lunar mass and moment of inertia likewise only constrain gross variations in the density profile beyond that of a uniform density sphere. As a result, composition and structure models previously obtained by jointly inverting these data retain the original uncertainties inherent in the input data sets. We perform a joint inversion of Apollo seismic delay times and gravity data collected by the GRAIL lunar gravity mission, in order to recover seismic velocity and density as a function of latitude, longitude, and depth within the Moon. We relate density (p) to seismic velocity (v) using a depth-dependent linear relationship. The corresponding coefficient (B) can reflect a variety of material properties, including temperature and composition. The inversion seeks to recover the set of p, v, and B perturbations that minimize (in a least-squares sense) the difference between the observed and calculated data.

Weber, Renee C.↗
NASA NTRS2013

GRAIL Refinements to Lunar Seismic Structure

Joint interpretation of disparate geophysical datasets helps to reduce drawbacks that can result from analyzing them individually. The Apollo seismic network was situated on the lunar nearside surface in a roughly equilateral triangle having sides approximately 1000 km long, with stations 12/14 nearly co‐located at one corner. Due to this limited geographical extent, near‐surface ray coverage from moonquakes is low, but increases with depth. In comparison, gravity surveys and their resulting gravity anomaly maps have traditionally offered optimal resolution at crustal depths. Gravimetric maps and seismic data sets are therefore well suited to joint inversion, since the complementary information reduces inherent model ambiguity. Previous joint inversions of the Apollo seismic data (seismic phase arrival times) and Clementine‐ or Lunar Prospector‐derived gravity data (mass and moment of inertia) attempted to recover the subsurface structure of the Moon by focusing on hypothetical lunar compositions that explore the density/velocity relationship. These efforts typically search for the best fitting thermodynamically calculated velocity/density model, allowing variables like core size, velocity, and/or composition to vary freely. Seismic velocity profiles previously derived from the Apollo seismic data through inversion of travel times vary both in the depth of the crust and mantle layers, and the seismic velocities and densities assigned to those layers. The lunar mass and moment of inertia likewise only constrain gross variations in the density profile beyond that of a uniform density sphere. As a result, composition and structure models previously obtained by jointly inverting these data retain the original uncertainties inherent in the input data sets. We will perform a joint inversion of Apollo seismic delay times and gravity data collected by the GRAIL lunar gravity mission, in order to recover seismic velocities and density as a function of latitude, longitude, and depth within the Moon. We will relate density to seismic velocity using a linear relationship that is allowed to be depth‐dependent. The corresponding coefficient (B) can reflect a variety of material properties that vary with depth, including temperature and composition. The inversion seeks to recover the set of density, velocity, and B‐coefficient perturbations that minimize (in a least‐squares sense) the difference between the observed and calculated data.

Weber, Renee C.↗
NASA NTRS1997

Wings: A New Paradigm in Human-Centered Design

Many aircraft accidents/incidents investigations cite crew error as a causal factor (Boeing Commercial Airplane Group 1996). Human factors experts suggest that crew error has many underlying causes and should be the start of an accident investigation and not the end. One of those causes, the flight deck design, is correctable. If a flight deck design does not accommodate the human's unique abilities and deficits, crew error may simply be the manifestation of this mismatch. Pilots repeatedly report that they are "behind the aircraft" , i.e., they do not know what the automated aircraft is doing or how the aircraft is doing it until after the fact. Billings (1991) promotes the concept of "human-centered automation"; calling on designers to allocate appropriate control and information to the human. However, there is much ambiguity regarding what it mean's to be human-centered. What often are labeled as "human-centered designs" are actually designs where a human factors expert has been involved in the design process or designs where tests have shown that humans can operate them. While such designs may be excellent, they do not represent designs that are systematically produced according to some set of prescribed methods and procedures. This paper describes a design concept, called Wings, that offers a clearer definition for human-centered design. This new design concept is radically different from current design processes in that the design begins with the human and uses the human body as a metaphor for designing the aircraft. This is not because the human is the most important part of the aircraft (certainly the aircraft would be useless without lift and thrust), but because he is the least understood, the least programmable, and one of the more critical elements. The Wings design concept has three properties: a reversal in the design process, from aerodynamics-, structures-, and propulsion-centered to truly human-centered; a design metaphor that guides function allocation and control and display design; and a deliberate distinction between two fundamental functions of design, to complement and to interpret human performance. The complementary function extends the human's capabilities beyond his or her current limitations - this includes sensing, computation, memory, physical force, and human decision making styles and skills. The interpretive (or hermeneutic, Hollnagel 1991) function translates information, functionality, and commands between the human and the aircraft. The Wings design concept allows the human to remain aware of the aircraft through natural interpretation. It also affords great improvements in system performance by maximizing the human's natural abilities and complementing the human's skills in a natural way. This paper will discuss the Wings design concept by describing the reversal in the traditional design process, the function allocation strategy of Wings, and the functions of complementing and interpreting the human.

Schutte, Paul C.↗
NASA NTRS2003

Proposal for Testing and Validation of Vacuum Ultra-Violet Atomic Laser-Induced Fluorescence as a Method to Analyze Carbon Grid Erosion in Ion Thrusters

Previous investigation under award NAG3-25 10 sought to determine the best method of LIF to determine the carbon density in a thruster plume. Initial reports from other groups were ambiguous as to the number of carbon clusters that might be present in the plume of a thruster. Carbon clusters would certainly affect the ability to LIF; if they were the dominant species, then perhaps the LIF method should target clusters. The results of quadrupole mass spectroscopy on sputtered carbon determined that minimal numbers of clusters were sputtered from graphite under impact from keV Krypton. There were some investigations in the keV range by other groups that hinted at clusters, but at the time the proposal was presented to NASA, there was no data from low-energy sputtering available. Thus, the proposal sought to develop a method to characterize the population only of atoms sputtered from a graphite target in a test cell. Most of the ground work had been established by the previous two years of investigation. The proposal covering 2003 sought to develop an anti-Stokes Raman shifting cell to generate VUW light and test this cell on two different laser systems, ArF and YAG- pumped dye. The second goal was to measure the lowest detectable amounts of carbon atoms by 156.1 nm and 165.7 nm LIF. If equipment was functioning properly, it was expected that these goals would be met easily during the timeframe of the proposal, and that is the reason only modest funding was requested. The PI was only funded at half- time by Glenn during the summer months. All other work time was paid for by Whitworth College. The college also funded a student, Charles Shawley, who worked on the project during the spring.

Stevens, Richard↗
NASA NTRS2002

Regaining Lost Separation in a Piloted Simulation of Autonomous Aircraft Operations

NASA is currently investigating a new concept of operations for the National Airspace System, designed to improve capacity while maintaining or improving current levels of safety. This concept, known as Distributed Air/Ground Traffic Management (DAG-TM), allows appropriately equipped autonomous aircraft to maneuver freely for flight optimization while resolving conflicts with other traffic and staying out of special use airspace and hazardous weather. While Airborne Separation Assurance System (ASAS) tools would normally allow pilots to resolve conflicts before they become hazardous, evaluation of system performance in sudden, near-term conflicts is needed in order to determine concept feasibility. If an acceptable safety level can be demonstrated in these situations, then operations may be conducted with lower separation minimums. An experiment was conducted in NASA Langley s Air Traffic Operations Lab to address issues associated with resolving near-term conflicts and the potential use of lower separation minimums. Sixteen commercial airline pilots flew a total of 32 traffic scenarios that required them to use prototype ASAS tools to resolve close range pop-up conflicts. Required separation standards were set at either 3 or 5 NM lateral spacing, with 1000 ft vertical separation being used for both cases. Reducing the lateral separation from 5 to 3 NM did not appear to increase operational risk, as indicated by the proximity to the intruder aircraft. Pilots performed better when they followed tactical guidance cues provided by ASAS than when they didn't follow the guidance. As air-air separation concepts are evolved, further studies will consider integration issues between ASAS and existing Airborne Collision Avoidance Systems (ACAS).These types of non-normal events will require the ASAS to provide effective alerts and resolutions prior to the time that an Airborne Collision Avoidance System (ACAS) would give a Resolution Advisory (RA). When an RA is issued, a pilot must take immediate action in order to avoid a potential near miss. The Traffic Alert and Collision Avoidance System (TCAS) II currently functions as an ACAS aboard commercial aircraft. Depending on the own aircraft s altitude, TCAS only issues RA s 15-35 seconds prior to the Closest Point of Approach (CPA). Prior to an RA, DAG-TM pilots operating autonomous aircraft must rely solely on ASAS for resolution guidance. An additional area of DAG-TM concept feasibility relates to a potential reduction in separation standards. Lower separation standards are likely needed in order to improve NAS efficiency and capacity. Current separation minimums are based in large part on the capabilities of older radar systems. Safety assessments are needed to determine the feasibility of reduced separation minimums. They will give strong consideration to surveillance system performance, including accuracy, integrity, and availability. Candidate surveillance systems include Automatic Dependent Surveillance-Broadcast (ADS-B) and multi-lateration systems. Considering studies done for Reduced Vertical Separation Minimums (RVSM) operations, it is likely that flight technical errors will also be considered. In addition to a thorough evaluation of surveillance system performance, a potential decision to lower the separation standards should also take operational considerations into account. An ASAS Safety Assessment study identified improper maneuvering in response to a conflict (due to ambiguous or improper resolution commands or a pilot s failure to comply with the resolution) as a potential safety risk. If near-term conflicts with lower separation minimums were determined to be more challenging for pilots, the severity of these risks could be even greater.

Barhydt, Richard↗
NASA NTRS1990

On diamond, graphitic and amorphous carbons in primitive extraterrestrial solar system materials

Carbon is among the most abundant elements in the universe and carbon chemistry in meteorites and comets is an important key to understanding many Solar System and interstellar processes. Yet, the mineralogical properties and interrelations between various structural forms of elemental carbon remain ambiguous. Crystalline elemental carbons include rhombohedral graphite, hexagonal graphite, cubic diamond, hexagonal diamond (i.e., lonsdaleite or carbon-2H) and chaoite. Elemental carbon also occurs as amorphous carbon and poorly graphitized (or turbostratic) carbon but of all the forms of elemental carbon only graphite is stable under physical conditions that prevail in small Solar System bodies and in the interstellar medium. The recent discovery of cubic diamond in carbonaceous chondrites and hexagonal diamond in chondritic interplanetary dust particles (IDPs) have created a renewed interest in the crystalline elemental carbons that were not formed by shock processes on a parent body. Another technique, Raman spectroscopy, confirms a widespread occurrence of disordered graphite in the Allende carbonaceous chondrite and in chondritic IDPs. Elemental carbons have also been identified by their characteristic K-edge features in electron energy loss spectra (EELS). However, the spectroscopic data do not necessarily coincide with those obtained by selected area electron diffraction (SAED). In order to interpret these data in terms of rational crystalline structures, it may be useful to consider the principles underlying electron diffraction and spectroscopic analyses. Electron diffraction depends on electron scattering, on the type of atom and the distance between atoms in a crystal lattice. Spectroscopic data are a function of the type of atom and the energy of bonds between atoms. Also, SAED is a bulk sampling technique when compared to techniques such as Raman spectroscopy or EELS. Thus, it appears that combined analyses provide contradictory results and that amorphous, or short-range ordered, carbon identified by conventional TEM imaging and SAED may show evidence for sp(3) bonds in EELS spectra. It is suggested that complex, nanometer-scale, mineralogical interrelations are common to all elemental carbons irrespective of their origin. The subsequent thermal history, or energy balance, will determine the ultimate microstructure.

Rietmeijer, Frans J. M.↗
DOE OSTI2026

Regularization prescription for the mixing between nonlocal gluon and quark operators

It is well known that in the study of mixing between nonlocal gluon and quark bilinear operators there exists an ambiguity when relating coordinate space and momentum space results. In this work, we show that this ambiguity is due to the lack of a proper regularization prescription of the singularity that arises when the separation between the gluon/quark fields approaches zero. We then demonstrate that dimensional regularization resolves this issue and yields consistent results in both coordinate and momentum space. This prescription is also compatible with lattice extractions of parton distributions from nonlocal operators.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Improving gas adsorption modeling for MOFs by local calibration of Hubbard U parameters

While computational screening with density functional theory (DFT) is frequently employed for the screening of metal–organic frameworks (MOFs) for gas separation and storage, commonly applied generalized gradient approximations (GGAs) exhibit self-interaction errors, which hinder the predictions of adsorption energies. We investigate the Hubbard U parameter to augment DFT calculations for full periodic MOFs, targeting a more precise modeling of gas molecule–MOF interactions, specifically for N2, CO2, and O2. We introduce a calibration scheme for the U parameter, which is tailored for each MOF, by leveraging higher-level calculations on the secondary building unit (SBU) of the MOF. When applied to the full periodic MOF, the U parameter calibrated against hybrid HSE06 calculations of SBUs successfully reproduces hybrid-quality calculations of the adsorption energy of the periodic MOF. The mean absolute deviation of adsorption energies reduces from 0.13 eV for a standard GGA treatment to 0.06 eV with the calibrated U, demonstrating the utility of the calibration procedure when applied to the full MOF structure. Furthermore, attempting to use coupled cluster singles and doubles with perturbative triples calculations of isolated SBUs for this calibration procedure shows varying degrees of success in predicting the experimental heat of adsorption. It improves accuracy for N2 adsorption for cases of overbinding, whereas its impact on CO2 is minimal, and ambiguities in spin state assignment hinder consistent improvements of O2 adsorption. Our findings emphasize the limitations of cluster models and advocate the use of full periodic MOF systems with a calibrated U parameter, providing a more comprehensive understanding of gas adsorption in MOFs.

Chemistry↗
NASA NTRS2017

An Advanced Trajectory-Based Operations Prototype Tool and Focus Group Evaluation

Trajectory-based operations (TBO) is a key concept in the Next Generation Air Transportation System transformation of the National Airspace System (NAS) that will increase the predictability and stability of traffic flows, support a common operational picture through the use of digital data sharing, facilitate more effective collaborative decision making between airspace users and air navigation service providers, and enable increased levels of integrated automation across the NAS. The National Aeronautics and Space Administration (NASA) has been developing trajectory-based systems to improve the efficiency of the NAS during specific phases of flight and is now also exploring Advanced 4-Dimensional Trajectory (4DT) operational concepts that will integrate these technologies and incorporate new technology where needed to create both automation and procedures to support gate-to-gate TBO. A TBO Prototype simulation toolkit has been developed that demonstrates initial functionality that may reside in an Advanced 4DT TBO concept. Pilot and controller subject matter experts (SMEs) were brought to the Air Traffic Operations Laboratory at NASA Langley Research Center for discussions on an Advanced 4DT operational concept and were provided an interactive demonstration of the TBO Prototype using four example scenarios. The SMEs provided feedback on potential operational, technological, and procedural opportunities and concerns. After viewing the interactive demonstration scenarios, the SMEs felt the operational capabilities demonstrated would be useful for performing TBO while maintaining situation awareness and low mental workload. The TBO concept demonstrated produced defined routings around weather which resulted in a more organized, consistent flow of traffic where it was clear to both the controller and pilot what route the aircraft was to follow. In general, the controller SMEs felt that traffic flow management should be responsible for generating and negotiating the operational constraints demonstrated, in cooperation with the Air Traffic Control System Command Center, while air traffic control should be responsible for the implementation of those constraints. The SMEs also indicated that digital data communications would be very beneficial for TBO operations and would result in less workload due to reduced communications, would eliminate issues due to language barriers and frequency problems, and would make receiving, loading, accepting, and executing clearances easier, less ambiguous, and more expeditious. This paper describes an Advanced 4DT operational concept, the TBO Prototype, the demonstration scenarios and methods used, and the feedback obtained from the pilot and controller SMEs in this focus group evaluation.

Guerreiro, Nelson M.↗
DOE OSTI2024

Entanglement entropy of a color flux tube in (2+1)D Yang-Mills theory

We construct a novel flux tube entanglement entropy (FTE 2 ), defined as the excess entanglement entropy relative to the vacuum of a region of color flux stretching between a heavy quark-anti-quark pair in pure gauge Yang-Mills theory. We show that FTE 2 can be expressed in terms of correlators of Polyakov loops, is manifestly gauge-invariant, and therefore free of the ambiguities in computations of the entanglement entropy in gauge theories related to the choice of the center algebra. Employing the replica trick, we compute FTE 2 for SU(2) Yang-Mills theory in (2+1)D and demonstrate that it is finite in the continuum limit. We explore the properties of FTE 2 for a half-slab geometry, which allows us to vary the width and location of the slab, and the extent to which the slab cross-cuts the color flux tube. Following the intuition provided by computations of FTE 2 in (1+1)D, and in a thin string model, we examine the extent to which our FTE 2 results can be interpreted as the sum of an internal color entropy and a vibrational entropy corresponding to the transverse excitations of the string.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1994

Understanding software faults and their role in software reliability modeling

This study is a direct result of an on-going project to model the reliability of a large real-time control avionics system. In previous modeling efforts with this system, hardware reliability models were applied in modeling the reliability behavior of this system. In an attempt to enhance the performance of the adapted reliability models, certain software attributes were introduced in these models to control for differences between programs and also sequential executions of the same program. As the basic nature of the software attributes that affect software reliability become better understood in the modeling process, this information begins to have important implications on the software development process. A significant problem arises when raw attribute measures are to be used in statistical models as predictors, for example, of measures of software quality. This is because many of the metrics are highly correlated. Consider the two attributes: lines of code, LOC, and number of program statements, Stmts. In this case, it is quite obvious that a program with a high value of LOC probably will also have a relatively high value of Stmts. In the case of low level languages, such as assembly language programs, there might be a one-to-one relationship between the statement count and the lines of code. When there is a complete absence of linear relationship among the metrics, they are said to be orthogonal or uncorrelated. Usually the lack of orthogonality is not serious enough to affect a statistical analysis. However, for the purposes of some statistical analysis such as multiple regression, the software metrics are so strongly interrelated that the regression results may be ambiguous and possibly even misleading. Typically, it is difficult to estimate the unique effects of individual software metrics in the regression equation. The estimated values of the coefficients are very sensitive to slight changes in the data and to the addition or deletion of variables in the regression equation. Since most of the existing metrics have common elements and are linear combinations of these common elements, it seems reasonable to investigate the structure of the underlying common factors or components that make up the raw metrics. The technique we have chosen to use to explore this structure is a procedure called principal components analysis. Principal components analysis is a decomposition technique that may be used to detect and analyze collinearity in software metrics. When confronted with a large number of metrics measuring a single construct, it may be desirable to represent the set by some smaller number of variables that convey all, or most, of the information in the original set. Principal components are linear transformations of a set of random variables that summarize the information contained in the variables. The transformations are chosen so that the first component accounts for the maximal amount of variation of the measures of any possible linear transform; the second component accounts for the maximal amount of residual variation; and so on. The principal components are constructed so that they represent transformed scores on dimensions that are orthogonal. Through the use of principal components analysis, it is possible to have a set of highly related software attributes mapped into a small number of uncorrelated attribute domains. This definitively solves the problem of multi-collinearity in subsequent regression analysis. There are many software metrics in the literature, but principal component analysis reveals that there are few distinct sources of variation, i.e. dimensions, in this set of metrics. It would appear perfectly reasonable to characterize the measurable attributes of a program with a simple function of a small number of orthogonal metrics each of which represents a distinct software attribute domain.

Munson, John C.↗