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NASA NTRS1982

Optimization of a Non-traditional Unsupervised Classification Approach for Land Cover Analysis

The conditions under which a hybrid of clustering and canonical analysis for image classification produce optimum results were analyzed. The approach involves generation of classes by clustering for input to canonical analysis. The importance of the number of clusters input and the effect of other parameters of the clustering algorithm (ISOCLS) were examined. The approach derives its final result by clustering the canonically transformed data. Therefore the importance of number of clusters requested in this final stage was also examined. The effect of these variables were studied in terms of the average separability (as measured by transformed divergence) of the final clusters, the transformation matrices resulting from different numbers of input classes, and the accuracy of the final classifications. The research was performed with LANDSAT MSS data over the Hazleton/Berwick Pennsylvania area. Final classifications were compared pixel by pixel with an existing geographic information system to provide an indication of their accuracy.

Boyd, R. K.↗

NASA NTRS1993

Polar decomposition for attitude determination from vector observations

This work treats the problem of weighted least squares fitting of a 3D Euclidean-coordinate transformation matrix to a set of unit vectors measured in the reference and transformed coordinates. A closed-form analytic solution to the problem is re-derived. The fact that the solution is the closest orthogonal matrix to some matrix defined on the measured vectors and their weights is clearly demonstrated. Several known algorithms for computing the analytic closed form solution are considered. An algorithm is discussed which is based on the polar decomposition of matrices into the closest unitary matrix to the decomposed matrix and a Hermitian matrix. A somewhat longer improved algorithm is suggested too. A comparison of several algorithms is carried out using simulated data as well as real data from the Upper Atmosphere Research Satellite. The comparison is based on accuracy and time consumption. It is concluded that the algorithms based on polar decomposition yield a simple although somewhat less accurate solution. The precision of the latter algorithms increase with the number of the measured vectors and with the accuracy of their measurement.

Bar-Itzhack, Itzhack Y.↗

NASA NTRS1990

Ethynyl-Terminated Imidothioethers And Derived Resins

New toughened epoxies exhibit excellent properties, but temperatures at which used limited. Bismaleimide resins some of base materials being formulated to develop materials used at moderate temperatures. Work conducted on use of acetylenic (ethynyl) group to cross-link and extend chains of oligomers and polymers to obtain materials that perform at high temperatures. Work extended to ethynyl-terminated imidothioethers (ETI's). Tested primarily as adhesives and composite matrices and found to have useful properties in terms of processing, resistance to high temperature, fracture toughness, and resistance to solvents. Also have desirable mechanical properties. Potentially useful for aerospace and nonaerospace applications.

Hergenrother, Paul M.↗

NASA NTRS1972

N-burn optimal analytic trajectories.

Derivation of N-burn analytic solutions for propellant-optimal transfer trajectories of a vehicle in a vacuum between arbitrary boundary conditions. Variational changes in the desired boundary conditions are expressed, in general, in terms of variational changes in the control vector and in the initial state vector. All coefficient matrices are computed recursively in terms of the analytic matrices established from the subarcs of the N-burn solution. The solution is applicable to shuttle ascent (exoatmospheric), rendezvous, and deorbit problems. Consideration is also given to state-variable and control-variable inequality constraints.

Jezewski, D. J.↗

NASA NTRS1987

The role of minerals in the thermal alteration of organic matter. III - Generation of bitumen in laboratory experiments

A series of pyrolysis experiments, utilizing two different immature kerogens (from the Monterey and Green River Formations) mixed with common sedimentary minerals (calcite, illite, or Na-montmorillonite), was conducted to study the impact of the mineral matrix on the bitumen that was generated. Calcite has no significant influence on the thermal evolution of bitumen and also shows virtually no adsorption capacity for any of the pyrolysate. In contrast, montmorillonite (M) and illite, to a lesser extent, alter bitumen during dry pyrolysis. M and illite also display strong adsorption capacities for the polar constituents of bitumen. By this process, hydrocarbons are substantially concentrated within the pyrolysate that is not strongly adsorbed on the clay matrices. The effects of the clay minerals are significantly reduced during hydrous pyrolysis. The strong adsorption capacities of M and illite, as well as their thermocatalytic properties, may in part explain why light oils and gases are generated from certain argillaceous source-rock assemblages, whereas heavy immature oils are often derived from carbonate source rocks.

Huizinga, Bradley J.↗

NASA NTRS1982

Nonequilibrium material effects on the behavior of polymeric composite matrices and their related composites

The effects of physical aging on the material properties of some linear and network macromolecular glasses are discussed. The free volume concept is used to describe this behavior. The effect of physical aging on properties of some uniaxial graphite/fiber epoxy resin composites is investigated using stress relaxation in both tensile and flexural modes. The matrix polymers used were resins both of which are based on a 4,4-methylenedianiline derivative of epichlorohydrin with diamino diphenyl sulfone (DDS) as the curing agent. The matrix resin, as used in the practical application in composites, not fully cured and the glass transition of the network was dependent on the curing schedule. The physical aging of the bulk crosslinked epoxy was found to depend on the annealing temperature, and the T sub g of the resin. The physical aging of the composite, monitored by the stress relaxation method, was found to be dependent on the testing direction.

Wilkes, G. L.↗

DOE OSTI2023

Quantum Many-Body Theory from a Solution of the N -Representability Problem

Here, in this study, we present a many-body theory based on a solution of the N-representability problem in which the ground-state two-particle reduced density matrix (2-RDM) is determined directly without the many-particle wave function. We derive an equation that re-expresses physical constraints on higher-order RDMs to generate direct constraints on the 2-RDM, which are required for its derivation from an N-particle density matrix, known as N-representability conditions. The approach produces a complete hierarchy of 2-RDM constraints that do not depend explicitly upon the higher RDMs or the wave function. By using the two-particle part of a unitary decomposition of higher order constraint matrices, we can solve the energy minimization by semidefinite programming in a form where the low-rank structure of these matrices can be potentially exploited. We illustrate by computing the ground-state electronic energy and properties of the H 8 ring.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS2019

Regularization and Error Characterization of GRACE Mascons

We present a new global time-variable gravity mascon solution derived from Gravity Recovery and Climate Experiment (GRACE) Level 1B data. The new product from the NASA Goddard Space Flight Center (GSFC) results from a novel approach that combines an iterative solution strategy with geographical binning of inter-satellite range-acceleration residuals in the construction of time-dependent regularization matrices applied in the inversion of mascon parameters. This estimation strategy is intentionally conservative as it seeks to maximize the role of the GRACE measurements on the final solution while minimizing the influence of the regularization design process. We fully reprocess the Level 1B data in the presence of the final mascon solution to generate true post-fit inter-satellite residuals, which are utilized to confirm solution convergence and to validate the mascon noise uncertainties. We also present the mathematical case that regularized mascon solutions are biased, and that this bias, or leakage, must be combined with the estimated noise variance to accurately assess total mascon uncertainties. The estimated leakage errors are determined from the monthly resolution operators. We present a simple approach to compute the total uncertainty for both individual mascon and regional analysis of the GSFC mascon product, and validate the results in comparison with independent mascon solutions and calibrated Stokes uncertainties. Lastly, we present the new solution and uncertainties with global analyses of the mass trends and annual amplitudes, and compute updated trends for the global ocean, and the respective contributions of the Greenland Ice Sheet, Antarctic Ice Sheet, Gulf of Alaska, and terrestrial water storage. This analysis highlights the successful closure of the global mean sea level budget, that is, the sum of global ocean mass from the GSFC mascons and the steric component from Argo floats agrees well with the total determined from sea surface altimetry.

B. D. Loomis↗

NASA NTRS2019

Regularization and Error Characterization of GRACE Mascons

Loomis, B. D.↗

DOE OSTI2023

Revisiting the definition of field capacity as a functional parameter in a layered agronomic soil profile beneath irrigated maize

The soil water content at the condition of field capacity (θ FC ) is a key parameter in irrigation scheduling and has been suggested to be determined by running a synthetic drainage experiment until the flux rate (q) at the bottom of the soil profile achieves a predefined negligible value (q FC ). We question the impact of q FC on the assessment of field capacity. Moreover, calculating θ FC as the integral mean of the water content profile when q is equal to q FC is strictly valid only for uniform soil profiles. By contrast, this practice is ambiguous and biased for stratified soil profiles due to the soil water content discontinuity at the layer interfaces. In this study, the concept of field capacity was revisited and adapted to practical agronomic heuristics. By resorting to the assessment of root-zone water storage capacity (W), we envision field capacity as a functional hydraulic parameter derived from synthetic irrigation scheduling scenarios to minimize drought stress, drainage, and nitrate leachate below the root zone. A functional analysis was carried out on a 135-cm-thick layered soil profile beneath maize in eastern Nebraska. On-farm irrigation scheduling applications and agricultural practices were recorded for 20 years (2001–2020) at a daily time step. Hydrus-1D was calibrated and validated with direct measurements of the soil water retention curve and soil water content data, respectively, in each soil layer. A set of functional field capacity values was derived from 24 irrigation scheduling scenarios, and the optimal water storage capacity at field capacity (W FC ) was approximately 50 cm (corresponding to about 80% saturation in the soil profile). An average irrigation amount of 217.5 mm distributed over 21 events was obtained by using optimal irrigation scheduling, which was initiated when the matric pressure head took on a value of –700 cm and the irrigation rate was set at 1.0 cm d –1 . This irrigation practice ensured water storage at approximately the same level (ideally at W FC ) by sustaining only evapotranspiration fluxes in the uppermost portion of the root zone and by limiting excessive drainage. This protocol can be transferred to other agricultural fields.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1991

A nonrecursive 'Order N' preconditioned conjugate gradient/range space formulation of MDOF dynamics

This paper addresses the requirements of present-day mechanical system simulations of algorithms that induce parallelism on a fine scale and of transient simulation methods which must be automatically load balancing for a wide collection of system topologies and hardware configurations. To this end, a combination range space/preconditioned conjugage gradient formulation of multidegree-of-freedon dynamics is developed, which, by employing regular ordering of the system connectivity graph, makes it possible to derive an extremely efficient preconditioner from the range space metric (as opposed to the system coefficient matrix). Because of the effectiveness of the preconditioner, the method can achieve performance rates that depend linearly on the number of substructures. The method, termed 'Order N' does not require the assembly of system mass or stiffness matrices, and is therefore amenable to implementation on work stations. Using this method, a 13-substructure model of the Space Station was constructed.

Kurdila, A. J.↗

NASA NTRS1989

A restricted signature normal form for Hermitian matrices, quasi-spectral decompositions, and applications

In recent years, a number of results on the relationships between the inertias of Hermitian matrices and the inertias of their principal submatrices appeared in the literature. We study restricted congruence transformation of Hermitian matrices M which, at the same time, induce a congruence transformation of a given principal submatrix A of M. Such transformations lead to concept of the restricted signature normal form of M. In particular, by means of this normal form, we obtain short proofs of most of the known inertia theorems and also derive some new results of this type. For some applications, a special class of almost unitary restricted congruence transformations turns out to be useful. We show that, with such transformations, M can be reduced to a quasi-diagonal form which, in particular, displays the eigenvalues of A. Finally, applications of this quasi-spectral decomposition to generalize inverses and Hermitian matrix pencils are discussed.

Freund, Roland W.↗

NASA NTRS2014

Integrated Medical Model Verification, Validation, and Credibility

The Integrated Medical Model (IMM) was designed to forecast relative changes for a specified set of crew health and mission success risk metrics by using a probabilistic (stochastic process) model based on historical data, cohort data, and subject matter expert opinion. A probabilistic approach is taken since exact (deterministic) results would not appropriately reflect the uncertainty in the IMM inputs. Once the IMM was conceptualized, a plan was needed to rigorously assess input information, framework and code, and output results of the IMM, and ensure that end user requests and requirements were considered during all stages of model development and implementation. METHODS: In 2008, the IMM team developed a comprehensive verification and validation (VV) plan, which specified internal and external review criteria encompassing 1) verification of data and IMM structure to ensure proper implementation of the IMM, 2) several validation techniques to confirm that the simulation capability of the IMM appropriately represents occurrences and consequences of medical conditions during space missions, and 3) credibility processes to develop user confidence in the information derived from the IMM. When the NASA-STD-7009 (7009) was published, the IMM team updated their verification, validation, and credibility (VVC) project plan to meet 7009 requirements and include 7009 tools in reporting VVC status of the IMM. RESULTS: IMM VVC updates are compiled recurrently and include 7009 Compliance and Credibility matrices, IMM VV Plan status, and a synopsis of any changes or updates to the IMM during the reporting period. Reporting tools have evolved over the lifetime of the IMM project to better communicate VVC status. This has included refining original 7009 methodology with augmentation from the NASA-STD-7009 Guidance Document. End user requests and requirements are being satisfied as evidenced by ISS Program acceptance of IMM risk forecasts, transition to an operational model and simulation tool, and completion of service requests from a broad end user consortium including Operations, Science and Technology Planning, and Exploration Planning. CONCLUSIONS: The VVC approach established by the IMM project of combining the IMM VV Plan with 7009 requirements is comprehensive and includes the involvement of end users at every stage in IMM evolution. Methods and techniques used to quantify the VVC status of the IMM have not only received approval from the local NASA community but have also garnered recognition by other federal agencies seeking to develop similar guidelines in the medical modeling community.

Validation↗

DOE OSTI2026

Stochastic mean-field theory and applications to multinucleon transfer and kinetic energy dissipation processes in heavy-ion collisions

In this Review article, a brief description of the stochastic mean-field (SMF) theory for describing reaction dynamics in low-energy heavy-ion collisions at bombarding energies in the vicinity of the Coulomb barrier is presented. In these collisions, as a result of strong Pauli blocking, binary nucleon collisions do not have a significant effect on the dissipation and fluctuations. At low energies, the mean-field fluctuations, due to initial correlations, have a dominant effect on fluctuations of macroscopic variables. The SMF theory proposes the determination of an ensemble of single-particle density matrices by specifying random initial fluctuations according to a distribution law. Employing an ensemble of single-particle density matrices, not only the mean values but also the distribution functions of the one-body observables can be determined. If the di-nuclear structure is maintained in heavy-ion collisions, such as deep inelastic collisions and fast quasi-fission reactions, a much simpler description of the reaction mechanism can be derived in terms of several macroscopic variables such as mass and charge asymmetry, and relative linear and relative angular momentum. In this case, by geometric projection of the SMF equations, it is possible to derive the quantal Langevin equations for macroscopic variables. As an application of quantal transport description, an analysis of multinucleon transfers and kinetic energy dissipation and fluctuations is presented for selected quasi-fission reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Three-particle formalism for multiple channels: the ηππ + $ K\overline{K}\pi $ system in isosymmetric QCD

We generalize previous three-particle finite-volume formalisms to allow for multiple three-particle channels. For definiteness, we focus on the two-channel ηππ and $ K\overline{K}\pi $ system in isosymmetric QCD, considering the positive G parity sector of the latter channel, and neglecting the coupling to modes with four or more particles. The formalism we obtain is thus appropriate to study the b 1 (1235) and η(1295) resonances. The derivation is made in the generic relativistic field theory approach using the time-ordered perturbation theory method. We study how the resulting quantization condition reduces to that for a single three-particle channel when one drops below the upper ($ K\overline{K}\pi $) threshold. We also present parametrizations of the three-particle K matrices that enter into the formalism.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Skeletal model reduction with forced optimally time dependent modes

Skeletal model reduction based on local sensitivity analysis of time dependent systems is presented in which sensitivities are modeled by forced optimally time dependent (f-OTD) modes. The f-OTD factorizes the sensitivity coefficient matrix into a compressed format as the product of two skinny matrices, i.e. f-OTD modes and f-OTD coefficients. The modes create a low-dimensional, time dependent, orthonormal basis which capture the directions of the phase space associated with most dominant sensitivities. These directions highlight the instantaneous active species, and reaction paths. Evolution equations for the f-OTD modes and coefficients are derived, and the implementation of f-OTD for skeletal reduction is described. For demonstration, skeletal reduction is conducted of the constant pressure ethylene-air burning in a zero-dimensional reactor, and new reduced models are generated. The laminar flame speed, the ignition delay, and the extinction curve as predicted by the models are compared against some existing skeletal models in literature for the same detailed model. Finally, the results demonstrate the capability of f-OTD to eliminate unimportant reactions and species in a systematic, efficient and accurate manner.

42 ENGINEERING↗

DOE OSTI2024

Use of carbonyldiimidazole as a derivatization agent for the detection of pinacolyl alcohol, a forensic marker for Soman, by EI-GC–MS and LC-HRMS in official OPCW proficiency test matrices

Pinacolyl alcohol (PA), a key forensic marker for the nerve agent Soman (GD), is a particularly difficult analyte to detect by various analytical methods. In this work, we have explored the reaction between PA and 1,1'-carbonyldiimidazole (CDI) to yield pinacolyl 1H-imidazole-1-carboxylate (PIC), a product that can be conveniently detected by gas chromatography–mass spectrometry (GC–MS) and liquid chromatography-high-resolution mass spectrometry (LC-HRMS). Regarding its GC–MS profile, this new carbamate derivative of PA possesses favorable chromatographic features such as a sharp peak and a longer retention time (RT = 16.62 min) relative to PA (broad peak and short retention time, RT = 4.1 min). Additionally, the derivative can also be detected by LC-HRMS, providing an avenue for the analysis of this chemical using this technique where PA is virtually undetectable unless present in large concentrations. From a forensic science standpoint, detection of this low molecular weight alcohol signals the past or latent presence of the nerve agent Soman (GD) in a given matrix (i.e., environmental or biological). The efficiency of the protocol was tested separately in the analysis and detection of PA by EI-GC–MS and LC-HRMS when present at a 10 μg/mL in a soil matrix featured in the 44th PT and in a glycerol-rich liquid matrix featured in the 48th Official Organization for the Prohibition of Chemical Weapons (OPCW) Proficiency Test when present at a 5 μg/mL concentration. In both scenarios, PA was successfully transformed into PIC, establishing the protocol as an additional tool for the analysis of this unnatural and unique nerve agent marker by GC–MS and LC-HRMS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

A Fully Associative, Non-Linear Kinematic, Unified Viscoplastic Model for Titanium Based Matrices

Specific forms for both the Gibb's and complementary dissipation potentials are chosen such that a complete (i.e., fully associative) potential based multiaxial unified viscoplastic model is obtained. This model possesses one tensorial internal state variable that is associated with dislocation substructure, with an evolutionary law that has nonlinear kinematic hardening and both thermal and strain induced recovery mechanisms. A unique aspect of the present model is the inclusion of non-linear hardening through the use of a compliance operator, derived from the Gibb's potential, in the evolution law for the back stress. This non-linear tensorial operator is significant in that it allows both the flow and evolutionary laws to be fully associative (and therefore easily integrated) and greatly influences the multiaxial response under non-proportional loading paths. In addition to this nonlinear compliance operator, a new consistent, potential preserving, internal strain unloading criterion has been introduced to prevent abnormalities in the predicted stress-strain curves, which are present with nonlinear hardening formulations, during unloading and reversed loading of the external variables. Specification of an experimental program for the complete determination of the material functions and parameters for characterizing a metallic matrix, e.g., TIMETAL 21S, is given. The experiments utilized are tensile, creep, and step creep tests. Finally, a comparison of this model and a commonly used Bodner-Partom model is made on the basis of predictive accuracy and numerical efficiency.

Arnold, S. M.↗