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DOE OSTI2025

Global Evaluation of Process Conditions and Wave Modes in a Rotating Detonation Engine

Rotating Detonation Engines (RDEs) show significant promise for enhancing the efficiency of gas turbine engines while maintaining low 𝑁𝑂𝑥 emissions. This work investigates the predictability of wave modes in a water-cooled RDE under varying operational conditions. Experimental data comprising over 6,700 samples was collected, including parameters such as flow rates, temperatures, pressures, and equivalence ratios. A machine learning approach using the XGBoost library was used to build a multi-class classifier, predicting wave modes based on these inputs. The model achieved a high accuracy of 97%, demonstrating that wave modes are not random but deterministic based on the process conditions. SHAP analysis was used to identify the most influential parameters affecting wave mode prediction. The results show that for the water-cooled NETL RDE, wave mode is determinant and predictable based on the process parameters.

Weber, Justin [NETL] (ORCID:0000000218487035)↗

NASA NTRS1994

High performance real-time flight simulation at NASA Langley

In order to meet the stringent time-critical requirements for real-time man-in-the-loop flight simulation, computer processing operations must be deterministic and be completed in as short a time as possible. This includes simulation mathematical model computational and data input/output to the simulators. In 1986, in response to increased demands for flight simulation performance, personnel at NASA's Langley Research Center (LaRC), working with the contractor, developed extensions to a standard input/output system to provide for high bandwidth, low latency data acquisition and distribution. The Computer Automated Measurement and Control technology (IEEE standard 595) was extended to meet the performance requirements for real-time simulation. This technology extension increased the effective bandwidth by a factor of ten and increased the performance of modules necessary for simulator communications. This technology is being used by more than 80 leading technological developers in the United States, Canada, and Europe. Included among the commercial applications of this technology are nuclear process control, power grid analysis, process monitoring, real-time simulation, and radar data acquisition. Personnel at LaRC have completed the development of the use of supercomputers for simulation mathematical model computational to support real-time flight simulation. This includes the development of a real-time operating system and the development of specialized software and hardware for the CAMAC simulator network. This work, coupled with the use of an open systems software architecture, has advanced the state of the art in real time flight simulation. The data acquisition technology innovation and experience with recent developments in this technology are described.

Cleveland, Jeff I., II↗

DOE OSTI2026

Scan‐Path‐ and Initial‐State‐Dependent Superdomain Switching in (111)‐Oriented PZT

Polarization switching in ferroelectric materials arises from the collective evolution of complex domain hierarchies, yet deterministic control over these processes remains challenging. Here, we investigate scan-path- and initial-state-dependent switching in epitaxial (111)-oriented PbZr 0.2 Ti 0.8 O 3 thin films using automated AFM-based writing combined with quantitative 3D piezoresponse force microscopy. We show that the scan trajectory acts as an experimentally accessible control parameter for superdomain formation. Box-in-box raster scans reproducibly stabilize ordered stripe superdomains with a reduced subset of symmetry-allowed variants, whereas spiral trajectories generate frustrated mixed-variant states with a broader distribution of final microstructures. Automated pulsing experiments further show that the local superdomain configuration at the nucleation site strongly influences the final written morphology. Phase-field modeling qualitatively reproduces the contrast between representative initial-state geometries and supports the role of compatibility constraints among competing ferroelastic pathways. These findings establish scan-path and initial-state engineering as practical handles to program ferroic order in hierarchical ferroelectric domain structures.

Vasudevan, Rama K. [Oak Ridge National Laboratory ↗

DOE OSTI2026

Boron Coordination in Multicomponent Glasses: Analytical Models and Machine Learning With Uncertainty

Borosilicate glasses are extensively used in a variety of applications from kitchenware to nuclear waste immobilization due to the strong network formed by the Si-O-B bond that makes it resistant to chemical corrosion and gives it a low thermal expansion. Boron, however, exists in both trigonal BO3 and tetrahedral BO4 bonds in glass systems, which impacts the chemical durability and thermal resistance of the glass, amongst other properties. Boron coordination (N4), or the ratio of the amount of BO4 to BO3 within a glass, may aid in predicting these properties but is difficult to derive without experimental data due to the complexity of impacts from varied glass compositions and processing factors. For this reason, compositional models have been developed to predict boron coordination, but the models typically include a limited number of glass components. To help fill this gap in the models, in this work, a diverse multicomponent glass dataset of 809 glasses is compiled from a literature search, and then a number of analytical and machine learning (ML) models are trained on the dataset. Previously developed modified Bernstein and modified Du Stebbins analytical models were fitted to update parameters with the new dataset. Then, partially Bayesian neural networks, Gaussian process regressor, and heteroskedastic deterministic neural networks were evaluated. The ML models examined all have different strategies to overcome the potential for overfitting as a result of a limited training dataset, and return results that account for model uncertainty, which can be valuable for understanding model reliability. For the first time, cooling rate is introduced as an input parameter for ML models, showing consistent improvements in performance and solidifying the importance of including parameters outside of composition alone for N4 prediction. The machine learning models examined here show promise in accurate predictions of boron coordination in borosilicate glasses, all achieving R2 values of 0.91.

boron coordination↗

NASA NTRS2003

Evaluation of Improved Pushback Forecasts Derived from Airline Ground Operations Data

Accurate and timely predictions of airline pushbacks can potentially lead to improved performance of automated decision-support tools for airport surface traffic, thus reducing the variability and average duration of costly airline delays. One factor which affects the realization of these benefits is the level of uncertainty inherent in the turn processes. To characterize this inherent uncertainty, three techniques are developed for predicting time-to-go until pushback as a function of available ground-time; elapsed ground-time; and the status (not-started/in-progress/completed) of individual turn processes (cleaning, fueling, etc.). These techniques are tested against a large and detailed dataset covering approximately l0(exp 4) real-world turn operations obtained through collaboration with Deutsche Lufthansa AG. Even after the dataset is filtered to obtain a sample of turn operations with minimal uncertainty, the standard deviation of forecast error for all three techniques is lower-bounded away from zero, indicating that turn operations have a significant stochastic component. This lower-bound result shows that decision-support tools must be designed to incorporate robust mechanisms for coping with pushback demand stochasticity, rather than treating the pushback demand process as a known deterministic input.

Carr, Francis↗

NASA NTRS1972

Linear response to nonstationary random excitation.

Development of a method for computing the mean-square response of linear systems to nonstationary random excitation of the form given by y(t) = f(t) x(t), in which x(t) = a stationary process and f(t) is deterministic. The method is suitable for application to multidegree-of-freedom systems when the mean-square response at a point due to excitation applied at another point is desired. Both the stationary process, x(t), and the modulating function, f(t), may be arbitrary. The method utilizes a fundamental component of transient response dependent only on x(t) and the system, and independent of f(t) to synthesize the total response. The role played by this component is analogous to that played by the Green's function or impulse response function in the convolution integral.

Hasselman, T.↗

NASA NTRS1979

Multiple object tracking with non-unique data-to-object association via generalized hypothesis testing

A generalized hypothesis testing approach is applied to the problem of tracking several objects where several different associations of data with objects are possible. Such problems occur, for instance, when attempting to distinctly track several aircraft maneuvering near each other or when tracking ships at sea. Conceptually, the problem is solved by first, associating data with objects in a statistically reasonable fashion and then, tracking with a bank of Kalman filters. The objects are assumed to have motion characterized by a fixed but unknown deterministic portion plus a random process portion modeled by a shaping filter. For example, the object might be assumed to have a mean straight line path about which it maneuvers in a random manner. Several hypothesized associations of data with objects are possible because of ambiguity as to which object the data comes from, false alarm/detection errors, and possible uncertainty in the number of objects being tracked. The statistical likelihood function is computed for each possible hypothesized association of data with objects. Then the generalized likelihood is computed by maximizing the likelihood over parameters that define the deterministic motion of the object.

Porter, D. W.↗

NASA NTRS1988

Periodically correlated processes and their stationary dilations

An explicit form for a stationary dilation for periodically correlated random processes is obtained. This is then used to give spectral conditions for a periodically correlated process to be non-deterministic, purely deterministic, minimal, and to have a positive angle between its past and future.

Miamee, A. G.↗

NASA NTRS1990

Periodically correlated processes and their stationary dilations

Miamee, A. G.↗

NASA NTRS2006

Mathematical Modeling of the Origins of Life

The emergence of early metabolism - a network of catalyzed chemical reactions that supported self-maintenance, growth, reproduction and evolution of the ancestors of contemporary cells (protocells) was a critical, but still very poorly understood step on the path from inanimate to animate matter. Here, it is proposed and tested through mathematical modeling of biochemically plausible systems that the emergence of metabolism and its initial evolution towards higher complexity preceded the emergence of a genome. Even though the formation of protocellular metabolism was driven by non-genomic, highly stochastic processes the outcome was largely deterministic, strongly constrained by laws of chemistry. It is shown that such concepts as speciation and fitness to the environment, developed in the context of genomic evolution, also held in the absence of a genome.

Pohorille, Andrew↗

NASA NTRS1993

Investigation for improving Global Positioning System (GPS) orbits using a discrete sequential estimator and stochastic models of selected physical processes

GEODYNII is a conventional batch least-squares differential corrector computer program with deterministic models of the physical environment. Conventional algorithms were used to process differenced phase and pseudorange data to determine eight-day Global Positioning system (GPS) orbits with several meter accuracy. However, random physical processes drive the errors whose magnitudes prevent improving the GPS orbit accuracy. To improve the orbit accuracy, these random processes should be modeled stochastically. The conventional batch least-squares algorithm cannot accommodate stochastic models, only a stochastic estimation algorithm is suitable, such as a sequential filter/smoother. Also, GEODYNII cannot currently model the correlation among data values. Differenced pseudorange, and especially differenced phase, are precise data types that can be used to improve the GPS orbit precision. To overcome these limitations and improve the accuracy of GPS orbits computed using GEODYNII, we proposed to develop a sequential stochastic filter/smoother processor by using GEODYNII as a type of trajectory preprocessor. Our proposed processor is now completed. It contains a correlated double difference range processing capability, first order Gauss Markov models for the solar radiation pressure scale coefficient and y-bias acceleration, and a random walk model for the tropospheric refraction correction. The development approach was to interface the standard GEODYNII output files (measurement partials and variationals) with software modules containing the stochastic estimator, the stochastic models, and a double differenced phase range processing routine. Thus, no modifications to the original GEODYNII software were required. A schematic of the development is shown. The observational data are edited in the preprocessor and the data are passed to GEODYNII as one of its standard data types. A reference orbit is determined using GEODYNII as a batch least-squares processor and the GEODYNII measurement partial (FTN90) and variational (FTN80, V-matrix) files are generated. These two files along with a control statement file and a satellite identification and mass file are passed to the filter/smoother to estimate time-varying parameter states at each epoch, improved satellite initial elements, and improved estimates of constant parameters.

Goad, Clyde C.↗

NASA NTRS1972

Signal processing in a randomly time varying system.

Stochastic operators are applied to an analysis of some deterministic systems of signal transformation. The distribution of a random process at the output of a system is given through its distribution at the input and through a stochastic Green's function. A two-point correlation function is derived to obtain a solution to differential equations which contain coefficients, boundary conditions, or right-hand terms representing random processes.

Adomian, G.↗

NASA NTRS1973

Classical electromagnetic radiation of the Dirac electron

A wave-function-dependent four-vector potential is added to the Dirac equation in order to achieve conservation of energy and momentum for a Dirac electron and its emitted electromagnetic field. The resultant equation contains solutions which describe transitions between different energy states of the electron. As a consequence it is possible to follow the space-time evolution of such a process. This evolution is shown in the case of the spontaneous emission of an electromagnetic field by an electron bound in a hydrogen-like atom. The intensity of the radiation and the spectral distribution are calculated for transitions between two eigenstates. The theory gives a self-consistent deterministic description of some simple radiation processes without using quantum electrodynamics or the correspondence principle.

Lanyi, G.↗

NASA NTRS1992

COINS: A composites information database system

An automated data abstraction form (ADAF) was developed to collect information on advanced fabrication processes and their related costs. The information will be collected for all components being fabricated as part of the ACT program and include in a COmposites INformation System (COINS) database. The aim of the COINS development effort is to provide future airframe preliminary design and fabrication teams with a tool through which production cost can become a deterministic variable in the design optimization process. The effort was initiated by the Structures Technology Program Office (STPO) of the NASA LaRC to implement the recommendations of a working group comprised of representatives from the commercial airframe companies. The principal working group recommendation was to re-institute collection of composite part fabrication data in a format similar to the DOD/NASA Structural Composites Fabrication Guide. The fabrication information collection form was automated with current user friendly computer technology. This work in progress paper describes the new automated form and features that make the form easy to use by an aircraft structural design-manufacturing team.

Siddiqi, Shahid↗

NASA NTRS2011

Three-Dimensional Finite Element Ablative Thermal Response and Thermostructural Design of Thermal Protection Systems

A finite element ablation and thermal response program is presented for simulation of three-dimensional transient thermostructural analysis. The three-dimensional governing differential equations and finite element formulation are summarized. A novel probabilistic design methodology for thermal protection systems is presented. The design methodology is an eight step process beginning with a parameter sensitivity study and is followed by a deterministic analysis whereby an optimum design can determined. The design process concludes with a Monte Carlo simulation where the probabilities of exceeding design specifications are estimated. The design methodology is demonstrated by applying the methodology to the carbon phenolic compression pads of the Crew Exploration Vehicle. The maximum allowed values of bondline temperature and tensile stress are used as the design specifications in this study.

Dec, John A.↗

NASA NTRS1992

COINS: A composites information database system

An automated data abstraction form (ADAF) was developed to collect information on advanced fabrication processes and their related costs. The information will be collected for all components being fabricated as part of the Advanced Composite Technology (ACT) program and included in a COmposites INformation System (COINS) data base. The aim of the COINS development effort is to provide future airframe preliminary design and fabrication teams with a tool through which production cost can become a deterministic variable in the design optimization process. The effort was initiated by NASA Langley to implement the recommendations of a working group comprised of representatives from the commercial airframe companies. The principal working group recommendation was to reinstitute collection of composite part fabrication data in a format similar to the DOD/NASA Structural Composites Fabrication Guide. The fabrication information collection form was automated with current user friendly computer technology. The new automated form and features that make the form easy to use by an aircraft structural design manufacturing team are described.

Siddiqi, Shahid↗

NASA NTRS1991

2-D nonlinear IIR-filters for image processing - An exploratory analysis

A new nonlinear IIR filter structure is introduced and its deterministic properties are analyzed. It is shown to be better suited for image processing applications than its linear shift-invariant counterpart. The new structure is obtained from causality inversion of a 2D quarterplane causal linear filter with respect to the two directions of propagation. It is demonstrated, that by using this design, a nonlinear 2D lowpass filter can be constructed, which is capable of effectively suppressing Gaussian or impulse noise without destroying important image information.

Bauer, P. H.↗

DOE OSTI2025

Rapid Commissioning of Large Machine Tools Using Finite Element-Based Correction of Geometric Errors

Large computer numerical control (CNC) machine tools derive their stiffness from monolithic cast iron bases or weldments that are sometimes integral to machine motion systems like box ways or guideways. However, the sheer size of castings and even floor flatness deviations result in dimensional errors in these systems, which manifest as machine motion errors. Typical geometric alignment processes rely on an iterative approach, where measurements are taken to assess alignment (straightness, squareness, and parallelism), followed by adjustment of the machine supports (fixators or leveling pads), which can take weeks even for an experienced operator. Conversely, a novel method is proposed to shorten the correction time by eliminating the trial-and-error process in favor of a more deterministic approach guided by a finite element (FE) method. A feasibility study is conducted on a CNC polymer hybrid machine, with a steel weldment frame, supported by six leveling pads. An FE model of the frame is utilized to obtain recommended leveling pad adjustments, based on measurement of machine errors taken using a laser tracker. After a single adjustment cycle, measurements reveal that geometric errors of the machine tool are reduced from 2.22 mm of flatness deviation to 0.32 mm, achieving an 85.6% reduction. Furthermore, the entire process including measurement, adjustment, and assessment is completed in just 6 h by two operators who are not professional service engineers. In conclusion, this methodology demonstrates feasibility for scaling up, especially to large, high-precision CNC machine tools with bases mounted by fixators, offering the capability for bidirectional adjustment.

42 ENGINEERING↗