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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 559 records · Page 31

Penalized ensemble Kalman filters for high dimensional non-linear systems

The ensemble Kalman filter (EnKF) is a data assimilation technique that uses an ensemble of models, updated with data, to track the time evolution of a usually non-linear system. It does so by using an empirical approximation to the well-known Kalman filter. However, its performance can suffer when the ensemble size is smaller than the state space, as is often necessary for computationally burdensome models. This scenario means that the empirical estimate of the state covariance is not full rank and possibly quite noisy. To solve this problem in this high dimensional regime, we propose a computationally fast and easy to implement algorithm called the penalized ensemble Kalman filter (PEnKF). Under certain conditions, it can be theoretically proven that the PEnKF will be accurate (the estimation error will converge to zero) despite having fewer ensemble members than state dimensions. Further, as contrasted to localization methods, the proposed approach learns the covariance structure associated with the dynamical system. These theoretical results are supported with simulations of several non-linear and high dimensional systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Trajectory optimization for kinematically redundant arms

A review of local optimization methods for resolving joint configurations in underconstrained manipulation tasks is conducted. A new approach is developed for observing joint limits and avoiding obstacles during the trajectory planning. The methodology is used in a four-link arm example to avoid a workspace singularity and is compared with results using the extended Moore-Penrose technique. An alternative measure of arm 'manipulability' based directly on the rank of the Jacobian is also introduced.

Carignan, Craig R.↗

Distillation and Air Stripping Designs for the Lunar Surface

Air stripping and distillation are two different gravity-based methods, which may be applied to the purification of wastewater on the lunar base. These gravity-based solutions to water processing are robust physical separation techniques, which may be advantageous to many other techniques for their simplicity in design and operation. The two techniques can be used in conjunction with each other to obtain high purity water. The components and feed compositions for modeling waste water streams are presented in conjunction with the Aspen property system for traditional stage distillation models and air stripping models. While the individual components for each of the waste streams will vary naturally within certain bounds, an analog model for waste water processing is suggested based on typical concentration ranges for these components. Target purity levels for the for recycled water are determined for each individual component based on NASA s required maximum contaminant levels for potable water Distillation processes are modeled separately and in tandem with air stripping to demonstrate the potential effectiveness and utility of these methods in recycling wastewater on the Moon. Optimum parameters such as reflux ratio, feed stage location, and processing rates are determined with respect to the power consumption of the process. Multistage distillation is evaluated for components in wastewater to determine the minimum number of stages necessary for each of 65 components in humidity condensate and urine wastewater mixed streams. Components of the wastewater streams are ranked by Henry s Law Constant and the suitability of air stripping in the purification of wastewater in terms of component removal is evaluated. Scaling factors for distillation and air stripping columns are presented to account for the difference in the lunar gravitation environment. Commercially available distillation and air stripping units which are considered suitable for Exploration Life Support are presented. The advantages to the various designs are summarized with respect to water purity levels, power consumption, and processing rates.

Boul, Peter J.↗

The Ocean Colour Climate Change Initiative: II. Spatial and Temporal Homogeneity of Satellite Data Retrieval Due to Systematic Effects in Atmospheric Correction Processors

The established procedure to access the quality of atmospheric correction processors and their underlying algorithms is the comparison of satellite data products with related in-situ measurements. Although this approach addresses the accuracy of derived geophysical properties in a straight forward fashion, it is also limited in its ability to catch systematic sensor and processor dependent behaviour of satellite products along the scan-line, which might impair the usefulness of the data in spatial analyses. The Ocean Colour Climate Change Initiative (OC-CCI) aims to create an ocean colour dataset on a global scale to meet the demands of the ecosystem modelling community. The need for products with increasing spatial and temporal resolution that also show as little systematic and random errors as possible, increases. Due to cloud cover, even temporal means can be influenced by along-scanline artefacts if the observations are not balanced and effects cannot be cancelled out mutually. These effects can arise from a multitude of results which are not easily separated, if at all. Among the sources of artefacts, there are some sensor-specific calibration issues which should lead to similar responses in all processors, as well as processor-specific features which correspond with the individual choices in the algorithms. A set of methods is proposed and applied to MERIS data over two regions of interest in the North Atlantic and the South Pacific Gyre. The normalised water leaving reflectance products of four atmospheric correction processors, which have also been evaluated in match-up analysis, is analysed in order to find and interpret systematic effects across track. These results are summed up with a semi-objective ranking and are used as a complement to the match-up analysis in the decision for the best Atmospheric Correction (AC) processor. Although the need for discussion remains concerning the absolutes by which to judge an AC processor, this example demonstrates clearly, that relying on the match-up analysis alone can lead to misjudgement.

Ocean Colour↗

Improved deep learning prediction of antigen–antibody interactions

Identifying antibodies that neutralize specific antigens is crucial for developing effective immunotherapies, but this task remains challenging for many target antigens. The rise of deep learning–based computational approaches presents a promising avenue to address this challenge. Here, we assess the performance of a deep learning approach through two benchmark tests aimed at predicting antibodies for the receptor-binding domain of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein. Three different strategies for constructing input sequence alignments are employed for predicting structural models of antigen–antibody complexes. In our initial testing set, which comprises known experimental structures, these strategies collectively yield a significant top-ranked prediction for 61% of cases and a success rate of 47%. Notably, one strategy that utilizes the sequences of known antigen binders outperforms the other two, achieving a precision of 90% in a subsequent test set of ~1,000 antibodies, balanced between true and control antibodies for the antigen, albeit with a lower recall of 25%. Our results underscore the potential of integrating deep learning methods with single B cell sequencing techniques to enhance the prediction accuracy of antigen–antibody interactions.

Science & Technology - Other Topics↗

The quantum entropy cone of hypergraphs

In this work, we generalize the graph-theoretic techniques used for the holographic entropy cone to study hypergraphs and their analogously-defined entropy cone. This allows us to develop a framework to efficiently compute entropies and prove inequalities satisfied by hypergraphs. In doing so, we discover a class of quantum entropy vectors which reach beyond those of holographic states and obey constraints intimately related to the ones obeyed by stabilizer states and linear ranks. We show that, at least up to 4 parties, the hypergraph cone is identical to the stabilizer entropy cone, thus demonstrating that the hypergraph framework is broadly applicable to the study of entanglement entropy. We conjecture that this equality continues to hold for higher party numbers and report on partial progress on this direction. To physically motivate this conjectured equivalence, we also propose a plausible method inspired by tensor networks to construct a quantum state from a given hypergraph such that their entropy vectors match.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Mission-driven design methodology for optical systems

Disclosed are devices, systems and methods for a mission-driven design framework for optical systems. An exemplary method for improving the design of an optical system includes receive a first plurality of parameters indicative of performance requirements of the optical system, receive a second plurality of parameters representative of characteristics of one or more components in the optical system, generate a mathematical representation that combines the first plurality of parameters and the second plurality of parameters, perform a sensitivity analysis to obtain a ranking of parameters from the first plurality of parameters and the second plurality of parameters, select, based on the ranking of the parameters, at least one parameter that produces a largest change in the mathematical representation, and produce a constraint file comprising the at least one parameter for ingestion by a design tool to enable the design of the optical system.

Higbee, Shawn D.↗

Molecular Dynamics Driven by the Many-Body Expansion (MBE-MD)

Here, we present a protocol for classical and nuclear quantum dynamics, in which the energies and forces are generated by the many-body expansion (MBE), and apply it to water clusters using the TTM2.1-F and MB-Pol interaction potentials at various temperatures. We carry out MBE-MD classical and nuclear quantum dynamical simulations in which the energies and forces of the full system are approximated by the 2-, 3-, and 4-body terms of the MBE expansion and compare the average potential and the vibrational density of states (VDOS) with the full simulation, i.e., the one for which no MBE is used. Our results indicate that the thermally averaged potential energy from the MBE up to the 4-body term converges with near identical behavior to the one from the full simulation. The 3-body makes a substantial contribution (~20%) to the energy, whereas the 4- body is necessary for obtaining quantitatively accurate energetics and forces, albeit making a small contribution to each (~2%). We further show that the harmonic frequencies are reproduced to within a few wavenumbers (cm -1 ) at the 4-body level, and that the slowest modes to converge with the MBE rank are those involving the strongest hydrogen bonds. Anharmonicity exacerbates this effect, so that a 4-body description of the energies and forces is needed to achieve accurate anharmonic vibrational frequencies in the hydrogen-bonded OH-stretching region. We also discuss the asymptotic scaling of the MBE-MD protocol with respect to the cost of the underlying potential energy evaluation, suggesting that electronic structure methods that scale at least as N 4 ,N being the size of the system, are needed to result in savings over the traditional full MD simulation. We anticipate that MBE-MD protocol can evolve into a powerful and practical method, which will allow for highly accurate ab initio MD simulations on a much broader range of molecular systems than can be currently handled.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Hybrid Neural Network-Genetic Algorithm Technique for Aircraft Engine Performance Diagnostics

In this paper, a model-based diagnostic method, which utilizes Neural Networks and Genetic Algorithms, is investigated. Neural networks are applied to estimate the engine internal health, and Genetic Algorithms are applied for sensor bias detection and estimation. This hybrid approach takes advantage of the nonlinear estimation capability provided by neural networks while improving the robustness to measurement uncertainty through the application of Genetic Algorithms. The hybrid diagnostic technique also has the ability to rank multiple potential solutions for a given set of anomalous sensor measurements in order to reduce false alarms and missed detections. The performance of the hybrid diagnostic technique is evaluated through some case studies derived from a turbofan engine simulation. The results show this approach is promising for reliable diagnostics of aircraft engines.

Kobayashi, Takahisa↗

Fast Plasma Investigation for MMS: Simulation of the Burst Triggering System

The Magnetospheric Multiscale (MMS) mission will study small-scale reconnection structures and their rapid motions from closely spaced platforms using instruments capable of high angular, energy, and time resolution measurements. To meet these requirements, the Fast Plasma Instrument (FPI) consists of eight (8) identical half top-hat electron sensors and eight (8) identical ion sensors and an Instrument Data Processing Unit (IDPU). The sensors (electron or ion) are grouped into pairs whose 6 degree x 180 degree fields-of-view (FOV) are set 90 degrees apart. Each sensor is equipped with electrostatic aperture steering to allow the sensor to scan a 45 degree x 180 degree fan about the its nominal viewing (0 deflection) direction. Each pair of sensors, known as the Dual Electron Spectrometer (DES) and the Dual Ion Spectrometer (DIS), occupies a quadrant on the MMS spacecraft and the combination of the eight electron/ion sensors, employing aperture steering, image the full-sky every 30-ms (electrons) and 150-ms (ions), respectively. To probe the diffusion regions of reconnection, the highest temporal/spatial resolution mode of FPI results in the DES complement of a given spacecraft generating 6.5-Mb (raised dot) per second of electron data while the DIS generates 1.1-Mb (raised dot) per second of ion data yielding an FPI total data rate of 6.6-Mb (raised dot) per second. The FPI electron/ion data is collected by the IDPU then transmitted to the Central Data Instrument Processor (CIDP) on the spacecraft for science interest ranking. Only data sequences that contain the greatest amount of temporal/spatial structure will be intelligently down-linked by the spacecraft. This requires a data ranking process known as the burst trigger system. The burst trigger system uses pseudo physical quantities to approximate the local plasma environments. As each pseudo quantity will have a different value, a set of two scaling factors is employed for each pseudo term. These pseudo quantities are then combined at the instrument, spacecraft, and observatory level leading to a final ranking of data based on expected scientific interest. Here, we present simulations of the fixed point burst trigger system for the FPI. A variety of data sets based on previous mission data as well as analytical formulations are tested. Comparisons of floating point calculations versus the fixed point hardware simulation are shown. Analysis of the potential sources of error from overflows, quantization, etc. are examined and mitigation methods are presented. Finally a series of calibration curves are presented, showing the expected error in pseudo quantities based solely on the scale parameters chosen and the expected data range. We conclude with a presentation of the current base-lined FPI burst trigger approach.

Barrie, A. C.↗

Application of artificial intelligence methods in the international roughness index prediction of rigid and composite pavements: a systematic review

The International Roughness Index (IRI) is a widely adopted metric for quantifying pavement roughness, directly influencing vehicle safety, ride comfort, and overall roadway performance. In recent years, the use of Machine Learning (ML) models for IRI prediction has gained momentum, with the goal of improving the allocation of maintenance and rehabilitation resources by enabling accurate assessments of pavement conditions. Most prior reviews, however, have concentrated on flexible pavements, leaving a notable gap regarding rigid and composite pavements. To address this gap, the present study conducts a systematic review of Artificial Intelligence (AI) methods applied to IRI prediction for rigid and composite pavements. Literature published between 2004 and 2025 is synthesized to highlight prevailing trends, methodological contributions, and directions for future research. Particular attention is given to the types of models employed, the datasets used for training and validation, and the role of input variables and data-processing strategies. Across the included studies, ensemble learning methods (especially gradient boosting variants such as XGBoost), artificial neural networks, and hybrid architectures frequently achieved high predictive skill, with several models reporting test-set coefficients of determination approaching 0.9–0.96, indicating strong potential for capturing the influence of traffic, pavement structure, and climatic factors. Since these results are obtained from heterogeneous datasets and evaluation protocols, they are interpreted qualitatively rather than as strict cross-study rankings. Analysis of input variables revealed that pavement age and initial IRI were included in 91% (21 of 23) and 78% (18 of 23) of studies, respectively. Climatic variables such as the freezing index appeared in 57% (13 of 23), while traffic-related factors were considered in 65% (15 of 23). The findings underscore the importance of standardized, high-quality datasets, such as those from the Long-Term Pavement Performance (LTPP) program, along with data consistency, model interpretability, computational efficiency, and replicability in enhancing IRI prediction. Future research should focus on incorporating input variable selection techniques to identify the most influential predictors, thereby improving accuracy and robustness. Integrating these approaches with advanced non-linear data-driven models, coupled with robust hyperparameter optimization, holds considerable promise for strengthening the reliability of IRI prediction and supporting resilient pavement management strategies.

42 ENGINEERING↗

Ultrasonic ranking of toughness of tungsten carbide

The feasibility of using ultrasonic attenuation measurements to rank tungsten carbide alloys according to their fracture toughness was demonstrated. Six samples of cobalt-cemented tungsten carbide (WC-Co) were examined. These varied in cobalt content from approximately 2 to 16 weight percent. The toughness generally increased with increasing cobalt content. Toughness was first determined by the Palmqvist and short rod fracture toughness tests. Subsequently, ultrasonic attenuation measurements were correlated with both these mechanical test methods. It is shown that there is a strong increase in ultrasonic attenuation corresponding to increased toughness of the WC-Co alloys. A correlation between attenuation and toughness exists for a wide range of ultrasonic frequencies. However, the best correlation for the WC-Co alloys occurs when the attenuation coefficient measured in the vicinity of 100 megahertz is compared with toughness as determined by the Palmqvist technique.

Vary, A.↗

Space Shuttle Main Engine Quantitative Risk Assessment: Illustrating Modeling of a Complex System with a New QRA Software Package

During 1997, a team from Hernandez Engineering, MSFC, Rocketdyne, Thiokol, Pratt & Whitney, and USBI completed the first phase of a two year Quantitative Risk Assessment (QRA) of the Space Shuttle. The models for the Shuttle systems were entered and analyzed by a new QRA software package. This system, termed the Quantitative Risk Assessment System(QRAS), was designed by NASA and programmed by the University of Maryland. The software is a groundbreaking PC-based risk assessment package that allows the user to model complex systems in a hierarchical fashion. Features of the software include the ability to easily select quantifications of failure modes, draw Event Sequence Diagrams(ESDs) interactively, perform uncertainty and sensitivity analysis, and document the modeling. This paper illustrates both the approach used in modeling and the particular features of the software package. The software is general and can be used in a QRA of any complex engineered system. The author is the project lead for the modeling of the Space Shuttle Main Engines (SSMEs), and this paper focuses on the modeling completed for the SSMEs during 1997. In particular, the groundrules for the study, the databases used, the way in which ESDs were used to model catastrophic failure of the SSMES, the methods used to quantify the failure rates, and how QRAS was used in the modeling effort are discussed. Groundrules were necessary to limit the scope of such a complex study, especially with regard to a liquid rocket engine such as the SSME, which can be shut down after ignition either on the pad or in flight. The SSME was divided into its constituent components and subsystems. These were ranked on the basis of the possibility of being upgraded and risk of catastrophic failure. Once this was done the Shuttle program Hazard Analysis and Failure Modes and Effects Analysis (FMEA) were used to create a list of potential failure modes to be modeled. The groundrules and other criteria were used to screen out the many failure modes that did not contribute significantly to the catastrophic risk. The Hazard Analysis and FMEA for the SSME were also used to build ESDs that show the chain of events leading from the failure mode occurence to one of the following end states: catastrophic failure, engine shutdown, or siccessful operation( successful with respect to the failure mode under consideration).

Smart, Christian↗

Quantum block encoding for one-pair semiseparable matrices

Quantum block encoding (QBE) is a crucial step in the development of most quantum algorithms, as it provides an embedding of a given matrix into a suitable larger unitary matrix. Historically, the development of efficient techniques for QBE has mostly focused on sparse matrices; less effort has been devoted to data-sparse (e.g., rank-structured) matrices. In this work we examine a particular case of rank structure, namely, one-pair semiseparable matrices. We present a new block encoding approach that relies on a suitable factorization of the given matrix as the product of triangular and diagonal factors. To encode the matrix, the algorithm needs $2\log(N)+7$ ancillary qubits. Assuming that the data input oracles can be implemented with polylogarithmic depth, or that a QRAM input model is available, our proposed method requires $\mathcal{O}({\rm polylog} (N))$ time and has an error of $\mathcal{O}(N^2)$, where $N$ is the matrix size.

Antonioli, Giacomo [Pisa U.; CERN] (ORCID:00090000↗

Practical choices for space-filling designs

Space-filling designs are now commonly used as a flexible model-free strategy for providing good coverage throughout an input space of interest for a variety of computer and physical experiment design scenarios. Some of the preliminary choices about how to frame the problem and which type of design to use can have a substantial impact on the success or failure of the experiment, and yet how to make these critical choices is often under-emphasized in the literature. In this paper, we explore several of the practical choices required by the experimenter and describe a sequence of steps to help create an ideal design that matches the goals and constraints of the experiment. These choices include the specification of the input space, the scaling of the variables, the degree of uniformity of the design points across the input space, and the space-filling characteristics. In addition, some new tools for defining the weights to implement non-uniform space-filling designs are provided. Finally, the methods are demonstrated with several illustrative examples and a real-world chemical engineering experiment for carbon capture.

42 ENGINEERING↗

Assessing the Relative Climate Impact of Carbon Utilization for Concrete, Chemical, and Mineral Production

Estimates show that 6.2 gigatons of carbon dioxide (CO2) can be captured and utilized across three pathways, concrete, chemical, and minerals, by 2050. However, it is difficult to compare the climate benefit across these three carbon capture and utilization (CCU) pathways to determine the most effective use of captured CO2. The life cycle assessment methods to evaluate the climate benefit of CCU chemicals should additionally account for the change in material properties of concrete due to CO2 utilization. Furthermore, with most CO2 utilization technologies being in the early stages of research and development, the uncertainty and variability in process and inventory data present a significant challenge in evaluating the climate benefit. We present a stochastically determined climate return on investment (ROI) metric to rank and prioritize CO2 utilization across 20 concrete, chemical and mineral pathways based on the realized climate benefit. We show that two concrete pathways, which use CO2 during concrete mixing, and two chemical pathways, which produce formic acid through hydrogenation of CO2 and carbon monoxide through dry reforming of methane, generate the greatest climate ROI and are the only CCU pathways with a higher likelihood of generating a climate benefit than a climate burden.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Lifetimes of fiber composites under sustained tensile loading

Results are presented for a study intended to summarize lifetime data on several fiber/epoxy composite materials subjected to sustained uniaxial tensile loading, to report preliminary results of an accelerated test method for predicting the life of simple composites, and to describe related work in progress on pressure vessels and other filament-wound structures. The lifetime performance of the tested composites was compared by plotting the percent of ultimate strength (applied fiber stress normalized with respect to fiber failure stress in a composite) versus lifetime. In terms of performance in long-term tensile applications, the tested composites are ranked in the following order: graphite/epoxy, Be wire/epoxy, Aramid/epoxy, and S-glass/epoxy. The accelerated test using temperature and stress to simulate the passage of time proves to be encouraging, at least in the case of the Aramid/epoxy composite. The potential of a statistical analysis based on Weibull distribution analyses or a power law relationship is demonstrated.

Chiao, T. T.↗

A review and assessment of the stress-intensity factors for surface cracks

The stress-intensity factor solutions proposed for a surface crack in a finite plate subjected to uniform tension are reviewed. Fourteen different solutions for the stress-intensity factors are compared. These solutions were obtained over the past 16 years using approximate analytical methods, experimental methods, and engineering estimates. The accuracy is assessed of the various solutions by correlating fracture data on surface-cracked tension specimens made of a brittle epoxy material. Fracture of the epoxy material was characterized by a constant value of stress-intensity factor at failure. Thus, the correctness of the various solutions is judged by the variations in the stress-intensity factors at failure. The solutions were ranked in order of minimum standard deviation. The highest ranking solutions correlated 95 percent of data analyzed within + or - 10 percent, whereas the lowest ranking solutions correlated 95 percent of data analyzed within + or - 20 percent. However, some solutions could be applied to all data considered, whereas others are limited with respect to crack shapes and crack sizes that could be analyzed.

Newman, J. C., Jr.↗