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NASA NTRS2023

NASA GRC ICME Schema for Materials Data Management: An Executive Summary

Integrated Computational Materials Engineering (ICME) has received a growing emphasis in attention due its potential impact on rapid material design, reduction in cost and time to market for new applications, and the promise of ‘fit-for-purpose’ materials coupled with recent advances in high performance computing and material characterization tools. However, for an organization to implement ICME practices for material discovery and design, a series of both technical and cultural challenges must be overcome to foster an environment that enables efficient, traceable, and predictive multiscale simulations of material behavior to enable virtual design of materials. In 2016, NASA sponsored a 2040 Vision study to define the potential 25-year future state required for integrated multiscale modeling of materials and systems to improve both the associated time and cost for aerospace and aeronautical innovation. The study envisions a cyber-physical-social ecosystem of experimentally validated computational models, tools, and techniques, along with the associated digital tapestry, that can enable rapid, optimized, ‘fit-for-purpose’ design of materials, components, and systems. A key requirement for such an ecosystem is the development of a robust information management system for materials across their full lifecycle, including material pedigree, experimental (real) and virtual (simulation) data, developed material models, and the implementation of models in engineering applications, such that process-structure-property-performance relationships can be established, thereby enabling the virtual design and optimization of materials. Such an information management system must be able to effectively capture: i) material information at each length scale; ii) test data and analysis; iii) associated material models; and iv) material and model deployment in engineering applications. These systems must also provide traceability between experimental and virtual representations of the material to ensure, when appropriate, the material digital twin is maintained. Additionally, this robust material information management system must be able to seamlessly connect with both commercial and an organization’s in-house software tools, be they analysis tools, other material databases, product lifecycle management (PLM) or simulation data management (SDM) tools, etc., such that automation of the design and analysis of a material across multiple length scales is possible. In this paper, an executive summary of the NASA GRC ICME Schema for materials information management is presented. The database best practices and schema design philosophy specifically for ICME materials data management and an overview description of each element in the schema is given, along with its associated role in an ICME workflow. Additionally, auxiliary tools that interact with the database and provide judicious automation with regards to importing, exporting, and analyzing materials data are presented. Such tools are critical to an ICME ecosystem, not only for their role in enabling optimization, but also in relieving users of tedious manual tasks, thus helping to promote adoption and combat the cultural challenges organizations face in enabling ICME.

Materials↗

NASA NTRSDate not supplied

Materials Informatics at NASA GRC: Machine Learning Surrogate Modeling, Data Management, and Integrated Toolsets for Establishing/Maintaining the Digital Thread

Integrated Computational Materials Engineering (ICME) has recently received widespread attention due to its promises in reducing dependence on physical testing for engineering design by relying on simulation, reducing both time and cost to market for various applications. ICME however requires validated multiscale material models, which heavily depend on available test data with full material and test pedigree, including material processing, test and measurement equipment, raw data collection, and analysis methodology and results that is findable and usable, along with integrated, efficient toolsets for effectively passing information across various length and time scales across such models. At the NASA Glenn Research Center under the Transformational Tools and Technologies Project, significant recent efforts have been directed towards establishing the required cyberinfrastructure to enable optimized ICME processes and the design of “fit-for-purpose” materials to achieve the goals outlined in the NASA Vision 2040 report. Such efforts include development of multiscale physics-based material models, which can be used to train highly efficient surrogate machine learning models, development of best practices and infrastructure for effective, traceable materials information management, and development of toolsets that integrate with physics-based codes, machine learning models, and an information management system to enable high throughput of materials data collection and analysis, establishment of digital twins and the digital thread, and automation of the ICME design process for material optimization.

Machine Learning↗

NASA NTRS2002

The narrow pulse approximation and long length scale determination in xenon gas diffusion NMR studies of model porous media

We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Pade approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Pade interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Pade length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).

NASA Discipline Life Sciences Technologies↗

NASA NTRS1976

Comparison of acoustic and strain gauge techniques for crack closure measurements

A quantitative study on the systems performances of the COD gauge and the acoustic transmission techniques to elastic deformation of part-through crack and compact tension specimens has been conducted. It is shown that the two instruments measure two completely different quantities: The COD gauge yields information on the length change of the specimen whereas the acoustic technique is sensitive directly to the amount of contract area between two surfaces, interfering with the acoustic signal. In another series of experiments, compression tests on parts with specifically prepared surfaces were performed so that the surface contact area could be correlated with the transmitted acoustic signal, as well as the acoustic with the COD gauge signal. A linear relation between contact area and COD gauge signal was obtained until full contact had been established.

Buck, O.↗

NASA NTRS1976

A study of efficiency in low resistivity silicon solar cells

A general device-analysis program has been utilized to study the efficiency of silicon solar cells. The analysis is applied to specific geometries of both n(+)-p and n(+)-p-p(+) solar cells, and involves a numerical solution of the basic transport and continuity equations. This approach allows solutions that are free of typical limiting assumptions involved in solving the device equations as well as solutions relating to lifetime, mobility variations, and diffused-region profiles. The analysis includes available empirical information on diffusion length, mobility, and lifetime as a function of doping, as well as a Gaussian profile for the diffused region. Results are presented which illustrate the limitations of efficiency as a function of doping. It is found that the maximum efficiencies for both types of cell converge at lower resistivities to around 16% with air-mass-zero radiation and a single-layer absorbing-SiO antireflecting film. It is also found that the minority-carrier lifetime, both in the n(+) surface and p-type bulk regions, presents serious limitations to conversion efficiency, particularly in the low-resistivity cells.

Dunbar, P. M.↗

NASA NTRS1974

Detailed gravimetric geoid for the GEOS-C altimeter calibration area

The GEOS-C spacecraft scheduled for launch in late 1974 will carry a radar altimeter for the purpose of measuring sea surface topography. In order to calibrate and evaluate the performance of the altimeter system, ground truth data are required. In this respect a detailed gravimetric geoid has been computed for the GEOS-C altimeter calibration area in the Atlantic Ocean off the East Coast of the U.S. This geoid is based upon a combination of mean free air surface gravity anomalies and the Goddard Space Flight Center GEM-6 satellite-derived spherical harmonic coefficients. Surface gravity anomalies have been used to provide information on the short wave length undulations of the geoid while the satellite-derived coefficients have provided information on the long wave length components. As part of these analyses, GSFC, SAO and OSU satellite-derived gravity models were used in the computations. Although geoid heights based upon the various satellite models differed by as much as 30 meters in the Southern Hemisphere, the differences in this Atlantic Ocean area were less than 4 meters.

Marsh, J. G.↗

NASA NTRS1990

Neural controller for adaptive movements with unforeseen payloads

A theory and computer simulation of a neural controller that learns to move and position a link carrying an unforeseen payload accurately are presented. The neural controller learns adaptive dynamic control from its own experience. It does not use information about link mass, link length, or direction of gravity, and it uses only indirect uncalibrated information about payload and actuator limits. Its average positioning accuracy across a large range of payloads after learning is 3 percent of the positioning range. This neural controller can be used as a basis for coordinating any number of sensory inputs with limbs of any number of joints. The feedforward nature of control allows parallel implementation in real time across multiple joints.

Kuperstein, Michael↗

NASA NTRS2011

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

Lawson, John W.↗

NASA NTRS1972

Measurement of operator workload in an information processing task

This was an experimental study to develop an improved methodology for measuring workload in an information processing task and to assess the effects of shift length and communication density (rate of information flow) on the ability to process and classify verbal messages. Each of twelve subjects was exposed to combinations of three shift lengths and two communication densities in a counterbalanced, repeated measurements experimental design. Results indicated no systematic variation in task performance measures or in other dependent measures as a function of shift length or communication density. This is attributed to the absence of a secondary loading task, an insufficiently taxing work schedule, and the lack of psychological stress. Subjective magnitude estimates of workload showed fatigue (and to a lesser degree, tension) to be a power function of shift length. Estimates of task difficulty and fatigue were initially lower but increased more sharply over time under low density than under high density conditions. An interpretation of findings and recommedations for furture research are included. This research has major implications to human workload problems in information processing of air traffic control verbal data.

Jenney, L. L.↗

NASA NTRS1990

New multi-level codes over GF(q)

Set partitioning to multi-dimensional signal spaces over GF(q), particularly GF sup q-1(q) and GF sup q (q), and show how to construct both multi-level block codes and multi-level trellis codes over GF(q). Two classes of multi-level (n, k, d) block codes over GF(q) with block length n, number of information symbols k, and minimum distance d sub min greater than or = d, are presented. These two classes of codes use Reed-Solomon codes as component codes. They can be easily decoded as block length q-1 Reed-Solomon codes or block length q or q + 1 extended Reed-Solomon codes using multi-stage decoding. Many of these codes have larger distances than comparable q-ary block codes, as component codes. Low rate q-ary convolutional codes, work error correcting convolutional codes, and binary-to-q-ary convolutional codes can also be used to construct multi-level trellis codes over GF(q) or binary-to-q-ary trellis codes, some of which have better performance than the above block codes. All of the new codes have simple decoding algorithms based on hard decision multi-stage decoding.

Wu, Jiantian↗

NASA NTRS1992

New multilevel codes over GF(q)

Wu, Jiantian↗

NASA NTRS1978

Parametric modeling of low-frequency water-vapor-induced tropospheric path length fluctuations

Detailed wet tropospheric fluctuation information is presented in support of proposals to search for gravitational waves in ultra-precise Doppler data. The similarities between the solar wind and tropospheric effects on apparent signal path length are used to hypothesize a parametric model for low-frequency wet tropospheric path length fluctuation. Experimental observations of wet tropospheric signal delay fluctuations are interpreted as confirmation of this parametric form. The model is used to suggest the appropriate conditions for collection of experimental tropospheric fluctuation data.

Berman, A. L.↗

NASA NTRS1972

VHF/UHF technique for the determination of the columnar electron contents of the plasmasphere and of the protonosphere using geostationary satellite transmission: Observations during magnetic storms

Measurements of the total electron content of the plasmasphere up to geostationary heights were made using the beacon transmitters aboard the satellite ATS-3. The technique employed is a combination of the phase-path length difference and the Faraday rotation angle methods. Such a combination permits very accurate determination of the integration constant necessary to convert phase-path length difference data into information about the absolute value of the columnar content.

Almeida, O. G.↗

NASA NTRS1973

On the error probability of general tree and trellis codes with applications to sequential decoding

An upper bound on the average error probability for maximum-likelihood decoding of the ensemble of random binary tree codes is derived and shown to be independent of the length of the tree. An upper bound on the average error probability for maximum-likelihood decoding of the ensemble of random L-branch binary trellis codes of rate R = 1/n is derived which separates the effects of the tail length T and the memory length M of the code. It is shown that the bound is independent of the length L of the information sequence. This implication is investigated by computer simulations of sequential decoding utilizing the stack algorithm. These simulations confirm the implication and further suggest an empirical formula for the true undetected decoding error probability with sequential decoding.

Johannesson, R.↗

NASA NTRS1990

Extraction of lead and ridge characteristics from SAR images of sea ice

Image-processing techniques for extracting the characteristics of lead and pressure ridge features in SAR images of sea ice are reported. The methods are applied to a SAR image of the Beaufort Sea collected from the Seasat satellite on October 3, 1978. Estimates of lead and ridge statistics are made, e.g., lead and ridge density (number of lead or ridge pixels per unit area of image) and the distribution of lead area and orientation as well as ridge length and orientation. The information derived is useful in both ice science and polar operations for such applications as albedo and heat and momentum transfer estimates, as well as ship routing and offshore engineering.

Vesecky, John F.↗

NASA NTRS2008

Integrated Performance of Next Generation High Data Rate Receiver and AR4JA LDPC Codec for Space Communications

Low-density parity-check (LDPC) codes are the state-of-the-art in forward error correction (FEC) technology that exhibits capacity approaching performance. The Jet Propulsion Laboratory (JPL) has designed a family of LDPC codes that are similar in structure and therefore, leads to a single decoder implementation. The Accumulate-Repeat-by-4-Jagged- Accumulate (AR4JA) code design offers a family of codes with rates 1/2, 2/3, 4/5 and lengths 1024, 4096, 16384 information bits. Performance is less than one dB from capacity for all combinations.Integrating a stand-alone LDPC decoder with a commercial-off-the-shelf (COTS) receiver faces additional challenges than building a single receiver-decoder unit from scratch. In this work, we outline the issues and show that these additional challenges can be over-come by simple solutions. To demonstrate that an LDPC decoder can be made to work seamlessly with a COTS receiver, we interface an AR4JA LDPC decoder developed on a field-programmable gate array (FPGA) with a modern high data rate receiver and mea- sure the combined receiver-decoder performance. Through optimizations that include an improved frame synchronizer and different soft-symbol scaling algorithms, we show that a combined implementation loss of less than one dB is possible and therefore, most of the coding gain evidence in theory can also be obtained in practice. Our techniques can benefit any modem that utilizes an advanced FEC code.

Cheng, Michael K.↗

NASA NTRS2023

Unusually Long Path Length for a Nearly Scatter-Free Solar Particle Event Observed By Solar Orbiter at 0.43 au

Context. After their acceleration and release at the Sun, solar energetic particles (SEPs) are injected into the interplanetary medium and are bound to the interplanetary magnetic field (IMF) by the Lorentz force. The expansion of the IMF close to the Sun focuses the particle pitch-angle distribution, and scattering counteracts this focusing. Solar Orbiter observed an unusual solar particle event on 9 April 2022 when it was at 0.43 astronomical units (au) from the Sun. Aims. We show that the inferred IMF along which the SEPs traveled was about three times longer than the nominal length of the Parker spiral and provide an explanation for this apparently long path. Methods. We used velocity dispersion analysis (VDA) information to infer the spiral length along which the electrons and ions traveled and infer their solar release times and arrival direction. Results. The path length inferred from VDA is approximately three times longer than the nominal Parker spiral. Nevertheless, the pitch-angle distribution of the particles of this event is highly anisotropic, and the electrons and ions appear to be streaming along the same IMF structures. The angular width of the streaming population is estimated to be approximately 30 degrees. The highly anisotropic ion beam was observed for more than 12 h. This may be due to the low level of fluctuations in the IMF, which in turn is very probably due to this event being inside an interplanetary coronal mass ejection The slow and small rotation in the IMF suggests a flux-rope structure. Small flux dropouts are associated with very small changes in pitch angle, which may be explained by different flux tubes connecting to different locations in the flare region. Conclusions. The unusually long path length along which the electrons and ions have propagated virtually scatter-free together with the short-term flux dropouts offer excellent opportunities to study the transport of SEPs within interplanetary structures. The 9 April 2022 solar particle event offers an especially rich number of unique observations that can be used to limit SEP transport models.

Robert F. Wimmer-Schweingruber↗

NASA NTRS1986

Automatic discovery of optimal classes

A criterion, based on Bayes' theorem, is described that defines the optimal set of classes (a classification) for a given set of examples. This criterion is transformed into an equivalent minimum message length criterion with an intuitive information interpretation. This criterion does not require that the number of classes be specified in advance, this is determined by the data. The minimum message length criterion includes the message length required to describe the classes, so there is a built in bias against adding new classes unless they lead to a reduction in the message length required to describe the data. Unfortunately, the search space of possible classifications is too large to search exhaustively, so heuristic search methods, such as simulated annealing, are applied. Tutored learning and probabilistic prediction in particular cases are an important indirect result of optimal class discovery. Extensions to the basic class induction program include the ability to combine category and real value data, hierarchical classes, independent classifications and deciding for each class which attributes are relevant.

Cheeseman, Peter↗