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At least 703 records · Page 39

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DOE OSTI2023

Multilevel atomic structural model for interstratified opal materials

The structure of opal has long fascinated scientists. It occurs in a number of structural states, ranging from amorphous to exhibiting features of stacking disorder. Opal-CT, where C and T signify cristobalite- and tridymite-like interstratification, represents an important link in the length scales between amorphous and crystalline states. However, details about local atomic (dis)order and arrangements extending to long-range stacking faults in opal polymorphs remain incompletely understood. Here, a multilevel modeling approach is reported that considers stacking states in correlation with the abundance of C and T segments as a high-level structural parameter (i.e. not each atom). Optimization accounting for inter-tetrahedral bond lengths and angles and the regularity of the silicate tetrahedra is included as lower levels of structural parameters. Together, a set of parameters with both coarse-grained and atomistic features for different levels of structural details is refined. Structural disorder at the ~10–100 Å distance scale is evaluated using experimental pair distribution function and diffraction datasets, comparing peak intensities, widths and asymmetry. Here this work presents a complete multilevel structural description of natural opal-CT and explains many of the unusual features observed in X-ray powder diffraction patterns. This modeling approach can be adopted generally for analyzing layered materials and their assembly into 3D structures.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Apparatus and methods for humidity control

Apparatus is provided which controls humidity in a gas. The apparatus employs a porous interface that is preferably a manifolded array of stainless steel tubes through whose porous surface water vapor can pass. One side of the porous interface is in contact with water and the opposing side is in contact with gas whose humidity is being controlled. Water vapor is emitted from the porous surface of the tubing into the gas when the gas is being humidified, and water vapor is removed from the gas through the porous surfaces when the gas is being dehumidified. The temperature of the porous interface relative to the gas temperature determines whether humidification or dehumidification is being carried out. The humidity in the gas is sensed and compared to the set point humidity. The water temperature, and consequently the porous interface temperature, are automatically controlled in response to changes in the gas humidity level above or below the set point. Any deviation from the set point humidity is thus corrected.

Dinauer, William R.↗

DOE OSTI2022

DOE COVID-19 Data Curation Effort: Overview of Initial Data Collection Coverage (March - June 2020)

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery, but only at the state level. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a count level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes combined with the unpredictable shifts in data format meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. To keep up, the team had to scale up staff and widen its approach for capture and storage. The DOE COVID-19 data collection effort resulted in over 11 million data points being collected, covering over 13,000 unique geographies and over 2,000 unique attributes that spanned predominantly from early March through the end of June 2020.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

NASA NTRS1981

Comparison of predicted engine core noise with current and proposed aircraft noise certification requirements

Predicted engine core noise levels for subsonic CTOL aircraft engines are compared with measured total aircraft noise levels and to current and proposed federal noise certification requirements. Comparisons are made at FAR-36 measuring stations and take into consideration both full and cutback power operations at takeoff. The spectral shape used for the prediction of core noise is identified as the spectral envelope, with a peak at 400 Hz which is assumed to be shifted in flight by a Doppler shift in frequency. Preceived noise levels are computed for appropriate engine power settings at desired flight conditions, and reductions in sideline noise levels are made to account for jet and airframe shielding effects. Results indicate that core noise can provide a barrier to the proposed EPA stage 4 and 5 federal noise rules for wide-body aircraft, with the most severe core noise problem occurring at takeoff and sideline measuring stations.

Von Glahn, U. H.↗

NASA NTRS1991

Report on the formal specification and partial verification of the VIPER microprocessor

The VIPER microprocessor chip is partitioned into four levels of abstractions. At the highest level, VIPER is described with decreasingly abstract sets of functions in LCF-LSM. At the lowest level are the gate-level models in proprietary CAD languages. The block-level and gate-level specifications are also given in the ELLA simulation language. Among VIPER's deficiencies are the fact that there is no notion of external events in the top-level specification, and it is impossible to use the top-level specifications to prove abstract properties of programs running on VIPER computers. There is no complete proof that the gate-level specifications implement the top-level specifications. Cohn's proof that the major-state machine correctly implements the top-level specifications has no formal connection with any of the other proof attempts. None of the latter address resetting the machine, memory timeout, forced error, or single step modes.

Brock, Bishop↗

NASA NTRS1992

Analysis of stellar occultation data for planetary atmospheres. I - Model fitting, with application to Pluto

Consideration is given to an analytic model for a stellar-occultation light curve developed for a small, spherically symmetric planetary atmosphere that includes thermal and molecular weight gradients in a region that overlies an extinction layer. The model incorporates two equivalent sets of parameters. One set specifies the occultation light curve in terms of signal levels, times, and time intervals. The other set specifies physical parameters of the planetary atmosphere. Equations are given for the transforming between the sets of parameters, including their errors and correlation coefficients. Detailed numerical calculations are presented for a benchmark case. The results obtained are consistent with the isothermal prediction of the 'methane-thermostat' model of Pluto's atmosphere.

Elliot, J. L.↗

NASA NTRS1997

Computation of LFT Uncertainty Bounds with Repeated Parametric Uncertainties

A new methodology in which linear fractional transformation uncertainty bounds are directly constructed for use in robust control design and analysis is proposed. Existence conditions for model validating solutions with or without repeated scalar uncertainty are given. The approach is based on minimax formulation to deal with multiple non-repeated structured uncertainty components subject to fixed levels of repeated scalar uncertainties. Input directional dependence and variations with different experiments are addressed by maximizing uncertainty levels over multiple experimental data sets. Preliminary results show that reasonable uncertainty bounds on structured non-repeated uncertainties can be identified directly from measurement data by assuming reasonable levels of repeated scalar uncertainties.

Lim, K. B.↗

NASA NTRS1987

Theoretical studies of the potential surface for the F - H2 greater than HF + H reaction

The F + H2 yields HF + H potential energy hypersurface was studied in the saddle point and entrance channel regions. Using a large (5s 5p 3d 2f 1g/4s 3p 2d) atomic natural orbital basis set, a classical barrier height of 1.86 kcal/mole was obtained at the CASSCF/multireference CI level (MRCI) after correcting for basis set superposition error and including a Davidson correction (+Q) for higher excitations. Based upon an analysis of the computed results, the true classical barrier is estimated to be about 1.4 kcal/mole. The location of the bottleneck on the lowest vibrationally adiabatic potential curve was also computed and the translational energy threshold determined from a one-dimensional tunneling calculation. Using the difference between the calculated and experimental threshold to adjust the classical barrier height on the computed surface yields a classical barrier in the range of 1.0 to 1.5 kcal/mole. Combining the results of the direct estimates of the classical barrier height with the empirical values obtained from the approximation calculations of the dynamical threshold, it is predicted that the true classical barrier height is 1.4 + or - 0.4 kcal/mole. Arguments are presented in favor of including the relatively large +Q correction obtained when nine electrons are correlated at the CASSCF/MRCI level.

Bauschlicher, Charles W., Jr.↗

DOE OSTI2023

Search for the lepton-flavour violating decays B0 → K *0 μ ± e ∓ and ${B}_s^0$ → Φμ ± e ∓

A search for the lepton-flavour violating decays B 0 → K *0 μ ± e ∓ and $ {B}_s^0 $ → Φμ ± e ∓ is presented, using proton-proton collision data collected by the LHCb detector at the LHC, corresponding to an integrated luminosity of 9 fb - 1 . No significant signals are observed and upper limits of $$ {\displaystyle \begin{array}{c}\mathcal{B}\left({B}^0\to {K}^{\ast 0}{\mu}^{+}{e}^{-}\right)<5.7\times {10}^{-9}\left(6.9\times {10}^{-9}\right),\\ {}\mathcal{B}\left({B}^0\to {K}^{\ast 0}{\mu}^{-}{e}^{+}\right)<6.8\times {10}^{-9}\left(7.9\times {10}^{-9}\right),\\ {}\mathcal{B}\left({B}^0\to {K}^{\ast 0}{\mu}^{\pm }{e}^{\mp}\right)<10.1\times {10}^{-9}\left(11.7\times {10}^{-9}\right),\\ {}\mathcal{B}\left({B}_s^0\to \phi {\mu}^{\pm }{e}^{\mp}\right)<16.0\times {10}^{-9}\left(19.8\times {10}^{-9}\right)\end{array}} $$ are set at 90% (95%) confidence level. These results constitute the world’s most stringent limits to date, with the limit on the decay $ {B}_s^0 $ → Φμ ± e ∓ the first being set. In addition, limits are reported for scalar and left-handed lepton-flavour violating New Physics scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1993

Structure and energetics of Cr(CO)6 and Cr(CO)5

The geometric structures and energetics of Cr(CO)6 and Cr(CO)5 are determined at the modified coupled-pair functional, single and double excitation coupled-cluster (CCSD), and CCSD(T) levels of theory. For Cr(CO)6, the structure and force constants for the totally symmetric representation are in good agreement with experimental data once basis set constants are taken into account. In the largest basis set at the CCSD(T) level of theory, the total binding energy of CR(CO)6 is estimated at around 140 kcal/mol, or about 86 percent of the experimental value. In contrast, the first bond energy of Cr(CO)6 is very well described at the CCSD(T) level of theory, with the best estimated value of 38 kcal/mol being within the experimental uncertainty.

Barnes, Leslie A.↗

NASA NTRS1976

A doubly charged ion model for ion thrusters

A theoretical equilibrium model of doubly charged ion production and loss processes in electron bombardment ion thrusters is presented. The model is shown to predict double ion density levels accurately for 15 and 30 cm diameter thrusters operating with several different grid sets and at several different power levels. The model indicates the dominant mechanism of double ion production involves the singly charged ground state. This result is used to develop a much simpler model which, along with correlations of the average plasma properties, can be used to determine the double ion density in thrusters with acceptable accuracy.

Peters, R. R.↗

NASA NTRS1983

Standard ozone profiles from balloon and satellite data sets

Standard profiles based on upper level averaged profiles from BUV and lower level averaged profiles from balloon measurements are presented in a parametric representation as a function of time of year and latitude. The representation is a simple 4-parameter function representing the ozone amount (m-atm-cm) in each of 12 atmospheric layers defined following the standard Umkehr convention. The same parameterization is applied to the Nimbus-7 SBUV data and is compared to the BUV/balloon parameterization. The ozone variance unaccounted for by the representation is presented and discussed. The season-latitude representation reduces considerably the ozone variance at all levels and explains much of the correlation between layers. This simple representation and corresponding covariance matrix have been used as a priori information in the ozone vertical profile inversion of the Nimbus-7 SBUV experimental measurements.

Klenk, K. F.↗

NASA NTRS1992

Computational aspects of helicopter trim analysis and damping levels from Floquet theory

Helicopter trim settings of periodic initial state and control inputs are investigated for convergence of Newton iteration in computing the settings sequentially and in parallel. The trim analysis uses a shooting method and a weak version of two temporal finite element methods with displacement formulation and with mixed formulation of displacements and momenta. These three methods broadly represent two main approaches of trim analysis: adaptation of initial-value and finite element boundary-value codes to periodic boundary conditions, particularly for unstable and marginally stable systems. In each method, both the sequential and in-parallel schemes are used and the resulting nonlinear algebraic equations are solved by damped Newton iteration with an optimally selected damping parameter. The impact of damped Newton iteration, including earlier-observed divergence problems in trim analysis, is demonstrated by the maximum condition number of the Jacobian matrices of the iterative scheme and by virtual elimination of divergence. The advantages of the in-parallel scheme over the conventional sequential scheme are also demonstrated.

Gaonkar, Gopal H.↗

NASA NTRS1992

Estimations of expectedness and potential surprise in possibility theory

This note investigates how various ideas of 'expectedness' can be captured in the framework of possibility theory. Particularly, we are interested in trying to introduce estimates of the kind of lack of surprise expressed by people when saying 'I would not be surprised that...' before an event takes place, or by saying 'I knew it' after its realization. In possibility theory, a possibility distribution is supposed to model the relative levels of mutually exclusive alternatives in a set, or equivalently, the alternatives are assumed to be rank-ordered according to their level of possibility to take place. Four basic set-functions associated with a possibility distribution, including standard possibility and necessity measures, are discussed from the point of view of what they estimate when applied to potential events. Extensions of these estimates based on the notions of Q-projection or OWA operators are proposed when only significant parts of the possibility distribution are retained in the evaluation. The case of partially-known possibility distributions is also considered. Some potential applications are outlined.

Prade, Henri↗

NASA NTRS2021

Volatile Organic Compounds Emitted from Air Fresheners: Plug-Ins at Home and Little Trees in Cars

Air fresheners contain volatile organic compounds (VOCs), some of which are possible hazardous air pollutants, carcinogens, or chemicals associated with adverse health effects such as asthma. This screening study identifies VOCs emitted from two types of air fresheners. Plug-in air fresheners are household products that release scents from a heated liquid. Little Tree air fresheners are commonly used solid devices designed to hang in from the rear view mirror in cars. VOCs that were released from heated samples of air fresheners were identified by gas chromatography mass spectroscopy (GCMS). Amongst VOCs commonly known to have scent properties, this screening also revealed the presence of compounds that are not associated with fragrances and that may have adverse health effects. In a pilot study to characterize how air fresheners affect air quality in real settings, air samples were collected on solid-phase microextraction (SPME) field samplers in a home setting and inside a vehicle, before and during air-freshener use. This pilot demonstrated some limited potential for SPME field samplers to track changes in VOC levels in real-life settings.

Adriana Pino-Delgado↗

DOE OSTI2023

Light Water Sustainability Program: Optimizing Information Automation Using a New Method Based on System-Theoretic Process Analysis

This report describes the interim progress for research supporting the design and optimization of information automation systems for nuclear power plants. Much of the domestic nuclear fleet is currently focused on modernizing technologies and processes, including transitioning toward digitalization in the control room and elsewhere throughout the plant, along with a greater use of automation, artificial intelligence, robotics, and other emerging technologies. While there are significant opportunities to apply these technologies toward greater plant safety, efficiency, and overall cost-effectiveness, optimizing their design and avoiding potential safety and performance risks depends on ensuring that human-performance-related organizational and technical design issues are identified and addressed. This report describes modeling tools and techniques, based on sociotechnical system theory, to support these design goals and their application in the current research effort. The report is intended for senior nuclear energy stakeholders, including regulators, corporate management, and senior plant management. We have developed and employed a method to design an optimized information automation ecosystem (IAE) based on the systems-theoretic constructs underlying sociotechnical systems theory in general and the Systems-Theoretic Accident Modeling and Processes (STAMP) approach in particular. We argue that an IAE can be modeled as an interactive information control system whose behavior can be understood in terms of dynamic control and feedback relationships amongst the system’s technical and organizational components. Up to this point, we have employed a Causal Analysis based on STAMP (CAST) technique to examine a performance- and safety-related incident at an industry partner’s plant that involved the unintentional activation of an emergency diesel generator. This analysis provided insight into the behavior of the plant’s current information control structure within the context of a specific, significant event. Our ongoing analysis is focused on identifying near-term process improvements and longer-term design requirements for an optimized IAE system. The latter analyses will employ a second STAMP-derived technique, System-Theoretic Process Analysis (STPA). STPA is a useful modeling tool for generating and analyzing actual or potential information control structures. Finally, we have begun modeling plantwide organizational relationships and processes. Organizational system modeling will supplement our CAST and STPA findings and provide a basis for mapping out a plantwide information control architecture. CAST analysis findings indicate an important underlying contributor to the incident under investigation, and a significant risk to information automation system performance, was perceived schedule pressure, which exposed weaknesses in interdepartmental coordination between and within responsible plant organizations and challenged the resilience of established plant processes, until a human caused the initiating event. These findings are discussed in terms of their risk to overall system performance and their implications for information automation system resilience and brittleness. We present two preliminary information automation models. The proactive issue resolution model is a test case of an information automation concept with significant near-term potential for application and subsequent reduction in significant plant events. The IAE model is a more general representation of a broader, plantwide information automation system. From our results, we have generated a set of preliminary system-level requirements and safety constraints. These requirements will be further developed over the remainder of our project in collaboration with nuclear industry subject matter experts and specialists in the technical systems under consideration. Additionally, we will continue to pursue the system analyses initiated in the first part of our effort, with a particular emphasis on STPA as the main tool to identify weak or weakening control structures that affect the resilience of organizations and programs. Our intent is to broaden the scope of the analysis from an individual use case to a related set of use cases (e.g., maintenance tasks, compliance tasks) with similar human-system performance challenges. This will enable more generalized findings to refine the Proactive Issue Resolution and IAE models, as well as their system-level requirements and safety constraints. We will use organizational system modeling analyses to supplement STPA findings and model development. We conclude the report with a set of summary recommendations and an initial draft list of system-level requirements and safety constraints for optimized information automation systems.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2005

CFD Multiphysics Tool

The recent bold initiatives to expand the human presence in space require innovative approaches to the design of propulsion systems whose underlying technology is not yet mature. The space propulsion community has identified a number of candidate concepts. A short list includes solar sails, high-energy-density chemical propellants, electric and electromagnetic accelerators, solar-thermal and nuclear-thermal expanders. For each of these, the underlying physics are relatively well understood. One could easily cite authoritative texts, addressing both the governing equations, and practical solution methods for, e.g. electromagnetic fields, heat transfer, radiation, thermophysics, structural dynamics, particulate kinematics, nuclear energy, power conversion, and fluid dynamics. One could also easily cite scholarly works in which complete equation sets for any one of these physical processes have been accurately solved relative to complex engineered systems. The Advanced Concepts and Analysis Office (ACAO), Space Transportation Directorate, NASA Marshall Space Flight Center, has recently released the first alpha version of a set of computer utilities for performing the applicable physical analyses relative to candidate deep-space propulsion systems such as those listed above. PARSEC, Preliminary Analysis of Revolutionary in-Space Engineering Concepts, enables rapid iterative calculations using several physics tools developed in-house. A complete cycle of the entire tool set takes about twenty minutes. PARSEC is a level-zero/level-one design tool. For PARSEC s proof-of-concept, and preliminary design decision-making, assumptions that significantly simplify the governing equation sets are necessary. To proceed to level-two, one wishes to retain modeling of the underlying physics as close as practical to known applicable first principles. This report describes results of collaboration between ACAO, and Embry-Riddle Aeronautical University (ERAU), to begin building a set of level-two design tools for PARSEC. The "CFD Multiphysics Tool" will be the propulsive element of the tool set. The name acknowledges that space propulsion performance assessment is primarily a fluid mechanics problem. At the core of the CFD Multiphysics Tool is an open-source CFD code, HYP, under development at ERAU. ERAU is renowned for its undergraduate degree program in Aerospace Engineering the largest in the nation. The strength of the program is its applications-oriented curriculum, which culminates in one of three two-course Engineering Design sequences: Aerospace Propulsion, Spacecraft, or Aircraft. This same philosophy applies to the HYP Project, albeit with fluid physics modeling commensurate with graduate research. HYP s purpose, like the Multiphysics Tool s, is to enable calculations of real (three-dimensional; geometrically complex; intended for hardware development) applications of high speed and propulsive fluid flows.

Perrell, Eric R.↗

NASA NTRS2019

Bringing Analysis Closer to Data: Developing a Visualization Tool for L2 Earth Science Satellite Data

Earth Science satellite missions provide a unique opportunity for scientists to visualize complex and multifaceted observations projected geospatially across maps of the Earth. While visualization tools can help scientists comprehend, analyze, and share data, visualizing Level-2 Earth Sciences data poses its own specific set of challenges. Since the geospatial information in Level-2 data files is stored as independent variables, the plotting process involves matching dimensional information from latitude and longitude with a desired variable. Variables are stored in different ways across various Earth Science data file formats, which complicates the process of extracting data and plotting variables from a given file without requiring extensive user input and prerequisite familiarity with the file type variable structure. In coordination with NASA’s Goddard Earth Sciences Data Information Services Center (GES DISC), the team developed a Level-2 Earth Science data visualization tool that aims to address some of the complexities associated with plotting Level-2 data. This tool offers command-line and user interface support for file and variable selection to accommodate varying use cases and degrees of user familiarity with the structure of a given file. The visualization tool is written in Python 3 and utilizes a modular approach to facilitate continued expansion and reuse. In addressing some common complications involved in plotting Level-2 Earth Sciences data, the tool aims to help to link the process of analysis more directly with data acquisition and visualization, bringing analysis closer to data across levels of processing.

Li, Angela W.↗