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At least 631 records · Page 35

Exploring Covalency in the Actinides Using Soft Donor-Based Ligands and Metal-Ligand Multiple Bonding

Closing the fuel cycle is critical to the renaissance of nuclear energy in the United States. Essential in closing the fuel cycle is identification of separation strategies for actinides and fission products from spent fuels and identification of host matrices for storage or transmutation of fission products. These issues are intensified due to the complex nature of the problem (e.g., high radiation fields, high thermal fields, long half-lives of certain fission products). The use of extractor ligands with soft donor atoms has been demonstrated to selectively sequester actinides over their lanthanide counterparts. This has been presumed to be enhanced covalent bonding between the actinide 5f orbitals and the valence ligand-based orbitals; however, the coordination chemistry and reactivity with ligands containing selenium, tellurium, phosphorus, and arsenic are underdeveloped. Additionally, compounds containing actinide-ligand multiple bonding will be explored to examine pi-bonding with 5f orbitals. Efforts will be made to develop this chemistry with neptunium as well. This research explores the unique structure, bonding, and reactivity of the actinide elements while developing the underlying fundamental science involved in the separation of actinides.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Robust Fault Detection and Isolation for Stochastic Systems

This paper outlines the formulation of a robust fault detection and isolation scheme that can precisely detect and isolate simultaneous actuator and sensor faults for uncertain linear stochastic systems. The given robust fault detection scheme based on the discontinuous robust observer approach would be able to distinguish between model uncertainties and actuator failures and therefore eliminate the problem of false alarms. Since the proposed approach involves precise reconstruction of sensor faults, it can also be used for sensor fault identification and the reconstruction of true outputs from faulty sensor outputs. Simulation results presented here validate the effectiveness of the robust fault detection and isolation system.

George, Jemin↗

Evaluating Retention Index Score Assumptions to Refine GC–MS Metabolite Identification

As metabolomics grows into a high-throughput and high demand research field, current metrics for the identification of small molecules in gas chromatography–mass spectrometry (GC–MS) still require manual verification. Though steps have been taken to improve scoring metrics by combining spectral similarity (SS) and retention index (RI), the problem persists. A large body of literature has analyzed and refined SS scores, but few studies have explicitly studied improvements to RI scores. Here, in this study, we examined whether uninvestigated assumptions of the RI score are valid and propose ways to improve them. Query RIs were matched to library RI with a generous window of ±35 to avoid unintentional removal of valid compound identifications. Each match was manually verified as a true positive (TP), true negative, or unknown. Metabolites with at least 30 TP identifications were included in downstream analyses, resulting in a total of 87 metabolites from samples of varying complexity and type (e.g., amino acid mixtures, human urine, fungal species, and so on.). Our results showed that the RI score assumptions of normality, consistent variance across metabolites, and a mean error centered at 0 are often violated. We demonstrated through a cross-validation analysis that modifying these underlying assumptions according to empirical metabolite-specific distributions improved the TP and negative rankings. Further, we statistically determined the minimum number of samples required to estimate distributional parameters for scoring metrics. Overall, this work proposes a robust statistical pipeline to reduce the time bottleneck of metabolite identification by improving RI scores and thus minimize the effort to complete manual verification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimal experiment design for identification of large space structures

The optimal experiment design for on-orbit identification of modal frequency and damping parameters in large flexible space structures is discussed. The main result is a separation principle for D-optimal design which states that under certain conditions the sensor placement problem is decoupled from the input design problem. This decoupling effect significantly simplifies the overall optimal experiment design determination for large MIMO structural systems with many unknown modal parameters. The error from using the uncoupled design is estimated in terms of the inherent damping of the structure. A numerical example is given, demonstrating the usefulness of the simplified criteria in determining optimal designs for on-orbit Space Station identification experiments.

Bayard, D. S.↗

On determining important aspects of mathematical models: Application to problems in physics and chemistry

The use of parametric and functional gradient sensitivity analysis techniques is considered for models described by partial differential equations. By interchanging appropriate dependent and independent variables, questions of inverse sensitivity may be addressed to gain insight into the inversion of observational data for parameter and function identification in mathematical models. It may be argued that the presence of a subset of dominantly strong coupled dependent variables will result in the overall system sensitivity behavior collapsing into a simple set of scaling and self similarity relations amongst elements of the entire matrix of sensitivity coefficients. These general tools are generic in nature, but herein their application to problems arising in selected areas of physics and chemistry is presented.

Rabitz, Herschel↗

Analysis and identification of subsynchronous vibration for a high pressure parallel flow centrifugal compressor

The summary of a complete analytical design evaluation of an existing parallel flow compressor is presented and a field vibration problem that manifested itself as a subsynchronous vibration that tracked at approximately 2/3 of compressor speed is reviewed. The comparison of predicted and observed peak response speeds, frequency spectrum content, and the performance of the bearing-seal systems are presented as the events of the field problem are reviewed. Conclusions and recommendations are made as to the degree of accuracy of the analytical techniques used to evaluate the compressor design.

Kirk, R. G.↗

Interaction networks for the identification of boosted H → $b\overline b$ decays

We develop an algorithm based on an interaction network to identify high-transverse-momentum Higgs bosons decaying to bottom quark-antiquark pairs and distinguish them from ordinary jets that reflect the configurations of quarks and gluons at short distances. The algorithm's inputs are features of the reconstructed charged particles in a jet and the secondary vertices associated with them. Describing the jet shower as a combination of particle-to-particle and particle-to-vertex interactions, the model is trained to learn a jet representation on which the classification problem is optimized. The algorithm is trained on simulated samples of realistic LHC collisions, released by the CMS Collaboration on the CERN Open Data Portal. The interaction network achieves a drastic improvement in the identification performance with respect to state-of-the-art algorithms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A criterion for joint optimization of identification and robust control

A criterion for system identification is developed that is consistent with the intended used of the fitted model for modern robust control synthesis. Specifically, a joint optimization problem is posed which simultaneously solves the plant model estimate and control design, so as to optimize robust performance over the set of plants consistent with a specified experimental data set.

Bayard, D. S.↗

Flight-Determined, Subsonic, Lateral-Directional Stability and Control Derivatives of the Thrust-Vectoring F-18 High Angle of Attack Research Vehicle (HARV), and Comparisons to the Basic F-18 and Predicted Derivatives

The subsonic, lateral-directional, stability and control derivatives of the thrust-vectoring F-1 8 High Angle of Attack Research Vehicle (HARV) are extracted from flight data using a maximum likelihood parameter identification technique. State noise is accounted for in the identification formulation and is used to model the uncommanded forcing functions caused by unsteady aerodynamics. Preprogrammed maneuvers provided independent control surface inputs, eliminating problems of identifiability related to correlations between the aircraft controls and states. The HARV derivatives are plotted as functions of angles of attack between 10deg and 70deg and compared to flight estimates from the basic F-18 aircraft and to predictions from ground and wind tunnel tests. Unlike maneuvers of the basic F-18 aircraft, the HARV maneuvers were very precise and repeatable, resulting in tightly clustered estimates with small uncertainty levels. Significant differences were found between flight and prediction; however, some of these differences may be attributed to differences in the range of sideslip or input amplitude over which a given derivative was evaluated, and to differences between the HARV external configuration and that of the basic F-18 aircraft, upon which most of the prediction was based. Some HARV derivative fairings have been adjusted using basic F-18 derivatives (with low uncertainties) to help account for differences in variable ranges and the lack of HARV maneuvers at certain angles of attack.

Iliff, Kenneth W.↗

Towards a Framework for Evaluating and Comparing Diagnosis Algorithms

Diagnostic inference involves the detection of anomalous system behavior and the identification of its cause, possibly down to a failed unit or to a parameter of a failed unit. Traditional approaches to solving this problem include expert/rule-based, model-based, and data-driven methods. Each approach (and various techniques within each approach) use different representations of the knowledge required to perform the diagnosis. The sensor data is expected to be combined with these internal representations to produce the diagnosis result. In spite of the availability of various diagnosis technologies, there have been only minimal efforts to develop a standardized software framework to run, evaluate, and compare different diagnosis technologies on the same system. This paper presents a framework that defines a standardized representation of the system knowledge, the sensor data, and the form of the diagnosis results and provides a run-time architecture that can execute diagnosis algorithms, send sensor data to the algorithms at appropriate time steps from a variety of sources (including the actual physical system), and collect resulting diagnoses. We also define a set of metrics that can be used to evaluate and compare the performance of the algorithms, and provide software to calculate the metrics.

Kurtoglu, Tolga↗

Identification and preliminary characterization of conserved uncharacterized proteins from Chlamydomonas reinhardtii , Arabidopsis thaliana , and Setaria viridis

Abstract The rapid accumulation of sequenced plant genomes in the past decade has outpaced the still difficult problem of genome‐wide protein‐coding gene annotation. A substantial fraction of protein‐coding genes in all plant genomes are poorly annotated or unannotated and remain functionally uncharacterized. We identified unannotated proteins in three model organisms representing distinct branches of the green lineage (Viridiplantae): Arabidopsis thaliana (eudicot), Setaria viridis (monocot), and Chlamydomonas reinhardtii (Chlorophyte alga). Using similarity searching, we identified a subset of unannotated proteins that were conserved between these species and defined them as Deep Green proteins. Bioinformatic, genomic, and structural predictions were performed to begin classifying Deep Green genes and proteins. Compared to whole proteomes for each species, the Deep Green set was enriched for proteins with predicted chloroplast targeting signals predictive of photosynthetic or plastid functions, a result that was consistent with enrichment for daylight phase diurnal expression patterning. Structural predictions using AlphaFold and comparisons to known structures showed that a significant proportion of Deep Green proteins may possess novel folds. Though only available for three organisms, the Deep Green genes and proteins provide a starting resource of high‐value targets for further investigation of potentially new protein structures and functions conserved across the green lineage.

59 BASIC BIOLOGICAL SCIENCES↗

Computer identification of ground pattern from aerial photographs.

Two statistical models are comapared in the classification of crops recorded on color aerial photographs. A theory of error ellipses is applied to the pattern recognition problem. An elliptical boundary condition classification model (EBC), useful for recognition of candidate patterns, evolves out of error ellipse theory. The EBC model is compared with the minimum distance to the mean (MDM) classification model in terms of pattern recognition ability. The pattern recognition results of both models are interpreted graphically using scatter diagrams to represent measurement space. Measurement space, for this report, is determined by optical density measurements collected from Kodak Ektachrome Infrared Aero Film 8443 (EIR). The EBC model is shown to be a significant improvement over the MDM model.

Richardson, A. J.↗

Analytical techniques for identification and study of organic matter in returned lunar samples

The results of geochemical research are reviewed. Emphasis is placed on the contribution of mass spectrometric data to the solution of specific structural problems. Information on the mass spectrometric behavior of compounds of geochemical interest is reviewed and currently available techniques of particular importance to geochemistry, such as gas chromatograph-mass spectrometer coupling, modern sample introduction methods, and computer application in high resolution mass spectrometry, receive particular attention.

Burlingame, A. L.↗

Software Risk Identification for Interplanetary Probes

The need for a systematic and effective software risk identification methodology is critical for interplanetary probes that are using increasingly complex and critical software. Several probe failures are examined that suggest more attention and resources need to be dedicated to identifying software risks. The direct causes of these failures can often be traced to systemic problems in all phases of the software engineering process. These failures have lead to the development of a practical methodology to identify risks for interplanetary probes. The proposed methodology is based upon the tailoring of the Software Engineering Institute's (SEI) method of taxonomy-based risk identification. The use of this methodology will ensure a more consistent and complete identification of software risks in these probes.

Dougherty, Robert J.↗

Identification of helicopter rotor dynamic models

A recursive, extended Kalman-filter approach is applied to the identifiction of rotor damping levels of representative helicopter dynamic systems. The general formulation of the approach is presented in the context of a typically posed stochastic estimation problem, and the method is analytically applied to determining the damping levels of a coupled rotor-body system. The identified damping covergence characteristics are studied for sensitivity to both constant-coefficient and periodic-coefficient measurement models, process-noise covariance levels, and specified initial estimates of the rotor-system damping. A second application of the method to identifying the plant model for a highly damped, isolated flapping blade with a constant-coefficient state model (hover) and a periodic-coefficient state model (forward flight) is also investigated. The parameter-identification capability is evaluated for the effect of periodicity on the plant model coefficients and the influence of different measurement noise levels.

Molusis, J. A.↗

Individually Identifiable Surface Acoustic Wave Sensors, Tags and Systems

A surface-launched acoustic wave sensor tag system for remotely sensing and/or providing identification information using sets of surface acoustic wave (SAW) sensor tag devices is characterized by acoustic wave device embodiments that include coding and other diversity techniques to produce groups of sensors that interact minimally, reducing or alleviating code collision problems typical of prior art coded SAW sensors and tags, and specific device embodiments of said coded SAW sensor tags and systems. These sensor/tag devices operate in a system which consists of one or more uniquely identifiable sensor/tag devices and a wireless interrogator. The sensor device incorporates an antenna for receiving incident RF energy and re-radiating the tag identification information and the sensor measured parameter(s). Since there is no power source in or connected to the sensor, it is a passive sensor. The device is wirelessly interrogated by the interrogator.

Hines, Jacqueline H.↗

Individually identifiable surface acoustic wave sensors, tags and systems

A surface-launched acoustic wave sensor tag system for remotely sensing and/or providing identification information using sets of surface acoustic wave (SAW) sensor tag devices is characterized by acoustic wave device embodiments that include coding and other diversity techniques to produce groups of sensors that interact minimally, reducing or alleviating code collision problems typical of prior art coded SAW sensors and tags, and specific device embodiments of said coded SAW sensor tags and systems. These sensor/tag devices operate in a system which consists of one or more uniquely identifiable sensor/tag devices and a wireless interrogator. The sensor device incorporates an antenna for receiving incident RF energy and re-radiating the tag identification information and the sensor measured parameter(s). Since there is no power source in or connected to the sensor, it is a passive sensor. The device is wirelessly interrogated by the interrogator.

Hines, Jacqueline H.↗

Harnessing Machine Learning and Data Fusion for Accurate Undocumented Well Identification in Satellite Images

This study utilizes satellite data to detect undocumented oil and gas wells, which pose significant environmental concerns, including greenhouse gas emissions. Three key findings emerge from the study. Firstly, the problem of imbalanced data is addressed by recommending oversampling techniques like Rotation–GaussianBlur–Solarization data augmentation (RGS), the Synthetic Minority Over-Sampling Technique (SMOTE), or ADASYN (an extension of SMOTE) over undersampling techniques. The performance of borderline SMOTE is less effective than that of the rest of the oversampling techniques, as its performance relies heavily on the quality and distribution of data near the decision boundary. Secondly, incorporating pre-trained models trained on large-scale datasets enhances the models’ generalization ability, with models trained on one county’s dataset demonstrating high overall accuracy, recall, and F1 scores that can be extended to other areas. This transferability of models allows for wider application. Lastly, including persistent homology (PH) as an additional input improves performance for in-distribution testing but may affect the model’s generalization for out-of-distribution testing. A careful consideration of PH’s impact on overall performance and generalizability is recommended. Overall, this study provides a robust approach to identifying undocumented oil and gas wells, contributing to the acceleration of a net-zero economy and supporting environmental sustainability efforts.

SMOTE↗