SEARCH · Engineering Papers

Results for “model fitting”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 991 records · Page 55

All sources NASA NTRS DOE OSTI

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↗

DOE OSTI2022

MAUD Interface Tool Kit (MILK)

Materials Analysis Using Diffraction (MAUD) is an open source Rietveld refinement program which fits diffraction models to diffraction spectra allowing quantitative diffraction analysis. The scripting interface developed here using python facilitates the choice of parameters to refine during the Rietveld fitting process and provides a simple MPI framework for running MAUD instances in parallel. The scripting language facilitates batch, custom, and reproducible Rietveld refinements of large datasets.

Savage, Daniel↗

NASA NTRS1988

The use of a helicopter mounted ranging scatterometer for estimation of extinction and scattering properties of forest canopies-II: Experimental results for high-density aspen

An analytic expression is derived that describes the backscatter power from a semi-infinite plane parallel homogeneous canopy as a function of distance from an airborne radar. This model is fitted to observed data for a high-density aspen canopy by a modification of a technique developed by Tyapkin (1960). This inversion of the model provides unbiased estimates of the canopy extinction and backscattering parameters. An active radar calibrator located underneath the canopy provides an independent method of determining the volume extinction coefficient. The results reported indicate that the coefficients change throughout the year. A comparison of these coefficients with Eom and Funk's (1984) disk model, using measured canopy properties, shows that at C-band frequency, only a part of the scattering and absorption can be attributed to the canopy leaves.

Pitts, David E.↗

NASA NTRS1997

Satellite Sensed Skin Sea Surface Temperature

Quantitative predictions of spatial and temporal changes the global climate rely heavily on the use of computer models. Unfortunately, such models cannot provide the basis for climate prediction because key physical processes are inadequately treated. Consequently, fine tuning procedures are often used to optimize the fit between model output and observational data and the validation of climate models using observations is essential if model based predictions of climate change are to be treated with any degree of confidence. Satellite Sea Surface Temperature (SST) observations provide high spatial and temporal resolution data which is extremely well suited to the initialization, definition of boundary conditions and, validation of climate models. In the case of coupled ocean-atmosphere models, the SST (or more correctly the 'Skin' SST (SSST)) is a fundamental diagnostic variable to consider in the validation process. Daily global SST maps derived from satellite sensors also provide adequate data for the detection of global patterns of change which, unlike any other SST data set, repeatedly extend into the southern hemisphere extra-tropical regions. Such data are essential to the success of the spatial 'fingerprint' technique, which seeks to establish a north-south asymmetry where warming is suppressed in the high latitude Southern Ocean. Some estimates suggest that there is a greater than 80% chance of directly detecting significant change (97.5 % confidence level) after 10-12 years of consistent global observations of mean sea surface temperature. However, these latter statements should be qualified with the assumption that a negligible drift in the observing system exists and that biases between individual instruments required to derive a long term data set are small. Given that current estimates for the magnitude of global warming of 0.015 K yr(sup -1) - 0.025 K yr(sup -1), satellite SST data sets need to be both accurate and stable if such a warming trend is to be confidently detected. Some of these activities are focussed to develop and deploy instrumentation suitable for the collection of precise in situ measurements of the SSST which can be used to improve the accuracy of satellite measurements, while others develop techniques to generate improved global analyses of sea surface temperature using historical data.

Donlon, Craig↗

DOE OSTI2021

Physics‐based iterative reconstruction for dual‐source and flying focal spot computed tomography

Purpose For single‐source helical Computed Tomography (CT), both Filtered‐Back Projection (FBP) and statistical iterative reconstruction have been investigated. However, for dual‐source CT with flying focal spot (DS‐FFS CT), a statistical iterative reconstruction that accurately models the scanner geometry and acquisition physics remains unknown to researchers. Therefore, our purpose is to present a novel physics‐based iterative reconstruction method for DS‐FFS CT and assess its image quality. Methods Our algorithm uses precise physics models to reconstruct from the native cone‐beam geometry and interleaved dual‐source helical trajectory of a DS‐FFS CT. To do so, we construct a noise physics model to represent data acquisition noise and a prior image model to represent image noise and texture. In addition, we design forward system models to compute the locations of deflected focal spots, the dimension, and sensitivity of voxels and detector units, as well as the length of intersection between x‐rays and voxels. The forward system models further represent the coordinated movement between the dual sources by computing their x‐ray coverage gaps and overlaps at an arbitrary helical pitch. With the above models, we reconstruct images by an advanced Consensus Equilibrium (CE) numerical method to compute the maximum a posteriori estimate to a joint optimization problem that simultaneously fits all models. Results We compared our reconstruction with Siemens ADMIRE, which is the clinical standard hybrid iterative reconstruction (IR) method for DS‐FFS CT, in terms of spatial resolution, noise profile, and image artifacts through both phantoms and clinical scan datasets. Experiments show that our reconstruction has a higher spatial resolution, with a Task‐Based Modulation Transfer Function (MTF task ) consistently higher than the clinical standard hybrid IR. In addition, our reconstruction shows a reduced magnitude of image undersampling artifacts than the clinical standard. Conclusions By modeling a precise geometry and avoiding data rebinning or interpolation, our physics‐based reconstruction achieves a higher spatial resolution and fewer image artifacts with smaller magnitude than the clinical standard hybrid IR.

Wang, Xiao↗

DOE OSTI2026

Development of a deep potential model for F and CF 2 etching of Si and SiO 2

An understanding of plasma-surface interactions at increasingly smaller scales is invaluable for the development of novel technologies and processing techniques. Molecular dynamics (MD) simulations can provide insights into atomic-scale interactions, though they are restricted by the availability of interatomic potentials. Machine learning methods, such as Deep Potential Molecular Dynamics (DeepMD), provide a systematic framework for the development of accurate and flexible ab initio-based models. In this work, we develop DeepMD models for the ion-enhanced etching of Si and SiO 2 by F and CF 2 radicals. We employ an active learning process to expand the data set on which the model is trained and demonstrate its effect on the model accuracy. The DeepMD results are compared to data from classical MD simulations and experiments. Physical sputtering yields of SiO 2 by Ar + ions show good agreement with previous simulation results using conventional interatomic potentials, though the predicted depth profiles are different. Etching yields are calculated as a function of ion energy and neutral to ion flux ratio for the Ar + ion-enhanced etching of SiO 2 and Si by F atoms, as well as for etching of SiO 2 by CF 2 radicals, showing reasonable agreement with experimental data. Finally, an ion-enhanced surface kinetic model is fitted to the DeepMD etch yields, and the fitted parameters are compared to quantities computed directly from DeepMD simulations. This study illustrates how molecular dynamics simulations using machine learning potentials can provide an accurate model of etching processes relevant to device manufacturing.

Kounis-Melas, Andreas [Princeton Univ., NJ (United↗

NASA NTRS1984

Kalman filter modeling

The formulation of appropriate state-space models for Kalman filtering applications is studied. The so-called model is completely specified by four matrix parameters and the initial conditions of the recursive equations. Once these are determined, the die is cast, and the way in which the measurements are weighted is determined foreverafter. Thus, finding a model that fits the physical situation at hand is all important. Also, it is often the most difficult aspect of designing a Kalman filter. Formulation of discrete state models from the spectral density and ARMA random process descriptions is discussed. Finally, it is pointed out that many common processes encountered in applied work (such as band-limited white noise) simply do not lend themselves very well to Kalman filter modeling.

Brown, R. G.↗

NASA NTRS2002

COSP for Windows: Strategies for Rapid Analyses of Cyclic Oxidation Behavior

COSP is a publicly available computer program that models the cyclic oxidation weight gain and spallation process. Inputs to the model include the selection of an oxidation growth law and a spalling geometry, plus oxide phase, growth rate, spall constant, and cycle duration parameters. Output includes weight change, the amounts of retained and spalled oxide, the total oxygen and metal consumed, and the terminal rates of weight loss and metal consumption. The present version is Windows based and can accordingly be operated conveniently while other applications remain open for importing experimental weight change data, storing model output data, or plotting model curves. Point-and-click operating features include multiple drop-down menus for input parameters, data importing, and quick, on-screen plots showing one selection of the six output parameters for up to 10 models. A run summary text lists various characteristic parameters that are helpful in describing cyclic behavior, such as the maximum weight change, the number of cycles to reach the maximum weight gain or zero weight change, the ratio of these, and the final rate of weight loss. The program includes save and print options as well as a help file. Families of model curves readily show the sensitivity to various input parameters. The cyclic behaviors of nickel aluminide (NiAl) and a complex superalloy are shown to be properly fitted by model curves. However, caution is always advised regarding the uniqueness claimed for any specific set of input parameters,

Smialek, James L.↗

DOE OSTI2023

Explainable machine learning for hydrogen diffusion in metals and random binary alloys

Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen diffusion, they often lack accuracy when making quantitative predictions. Machine learning models are capable of making accurate predictions, but their inner workings are obscured, rendering it unclear which physical features are truly important. To develop interpretable machine learning models to predict the activation energies of hydrogen diffusion in metals and random binary alloys, we create a database for physical and chemical properties of the species and use it to fit six machine learning models. Our models achieve root-mean-squared errors between 98–119 meV on the testing data and accurately predict that elemental Ru has a large activation energy, while elemental Cr and Fe have small activation energies. By analyzing the feature importances of these fitted models, we identify relevant physical properties for predicting hydrogen diffusivity. While metrics for measuring the individual feature importances for machine learning models exist, correlations between the features lead to disagreement between models and limit the conclusions that can be drawn. Instead grouped feature importance, formed by combining the features via their correlations, agree across the six models and reveal that the two groups containing the packing factor and electronic specific heat are particularly significant for predicting hydrogen diffusion in metals and random binary alloys. In conclusion, this framework allows us to interpret machine learning models and enables rapid screening of new materials with the desired rates of hydrogen diffusion.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A fully Lagrangian, non-parametric bias model for dark matter halos

Here, we present a non-parametric Lagrangian biasing model and fit the ratio of the halo and mass densities at the field level using the mass-weighted halo field in the AbacusSummit simulations at z=0.5. Unlike the perturbative halo bias model that has been widely used in interpreting the observed large-scale structure traced by galaxies, we find a non-negative halo-to-mass ratio that increases monotonically with the linear overdensity δ 1 in the initial Lagrangian space. The bias expansion, however, does not guarantee non-negativity of the halo counts, and may lead to rising halo number counts at negative overdensities. The shape of the halo-to-mass ratio is unlikely to be described by a polynomial function of δ 1 and other quantities. Especially for massive halos with 6×10 12 h -1 M ⊙ , the halo-to-mass ratio starts soaring up at δ 1 >0, substantially different from the predictions of the bias expansion. We show that for the halo masses we consider (M>3×10 11 h -1 M ⊙ ) a non-parametric halo-to-mass ratio as a function of δ 1 and its local derivative ∇^2δ 1 can recover the halo power spectra to sub-percent level accuracy for wavenumbers k=0.01-0.1 h Mpc -1 given a proper smoothing scale to filter the initial density field, even though we do not fit the power spectrum directly. However, there is mild dependence of the recovery of the halo power spectrum on the smoothing scale and other input parameters. At k<0.01 h Mpc -1 and for massive halos with M>6x10 12 h -1 M ⊙ , our non-parametric model leads to a few percent overestimation of the halo power spectrum, indicating the need for larger or multiple smoothing scales. The halo-to-mass ratios obtained qualitatively agree with intuitions from extended Press-Schechter theory. We compare our framework to the bias expansion and discuss possible extensions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Modeling of Precipitation over Africa: Progress, Challenges, and Prospects

In recent years, there has been an increasing need for climate information across diverse sectors of society. This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and change. Likewise, this period has seen a significant increase in our understanding of the physical processes and mechanisms that drive precipitation and its variability across different regions of Africa. By leveraging a large volume of climate model outputs, numerous studies have investigated the model representation of African precipitation as well as underlying physical processes. These studies have assessed whether the physical processes are well depicted and whether the models are fit for informing mitigation and adaptation strategies. This paper provides a review of the progress in precipitation simulation over Africa in state-of-the-science climate models and discusses the major issues and challenges that remain.

CMIP6↗

NASA NTRS1988

Active Vibration Control of a Large Flexible Manipulator by Inertial Force and Joint Torque

The efficiency and positional accuracy of a lightweight flexible manipulator are limited by its flexural vibrations, which last after a gross motion is completed. The vibration delays subsequent operations. In the proposed work, the vibration is suppressed by inertial force of a small arm in addition to the joint actuators and passive damping treatment. The proposed approach is: (1) Dynamic modeling of a combined system, a large flexible manipulator and a small arm, (2) Determination of optimal sensor location and controller algorithm, and (3) Verification of the fitness of model and the performance of controller.

Lee, Soo Han↗

NASA NTRS1940

A New Method of Studying the Flow of the Water Along the Bottom of a Model of a Flying-boat Hull

A new method of studying the flow of the water along the bottom of a model of a flying-boat hull is described. In this method, the model is fitted with a transparent bottom and is divided down the center line by a bulkhead. The flow is observed and photographed through one-half of the model by means of the diffused illumination from a battery of lamps contained in the other half of the model. Photographs of the flow, particularly of the changes that occur when the step ventilates, are shown. The results of the present investigation indicate that the method has considerable promise, chiefly in connection with motion-picture studies.

Ward, Kenneth E↗

DOE OSTI2024

How microscopic epistasis and clonal interference shape the fitness trajectory in a spin glass model of microbial long-term evolution

The adaptive dynamics of evolving microbial populations takes place on a complex fitness landscape generated by epistatic interactions. The population generically consists of multiple competing strains, a phenomenon known as clonal interference. Microscopic epistasis and clonal interference are central aspects of evolution in microbes, but their combined effects on the functional form of the population’s mean fitness are poorly understood. Here, we develop a computational method that resolves the full microscopic complexity of a simulated evolving population subject to a standard serial dilution protocol. Through extensive numerical experimentation, we find that stronger microscopic epistasis gives rise to fitness trajectories with slower growth independent of the number of competing strains, which we quantify with power-law fits and understand mechanistically via a random walk model that neglects dynamical correlations between genes. We show that increasing the level of clonal interference leads to fitness trajectories with faster growth (in functional form) without microscopic epistasis, but leaves the rate of growth invariant when epistasis is sufficiently strong, indicating that the role of clonal interference depends intimately on the underlying fitness landscape. The simulation package for this work may be found at https://github.com/nmboffi/spin_glass_evodyn .

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

How microscopic epistasis and clonal interference shape the fitness trajectory in a spin glass model of microbial long-term evolution

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2011

Earth as an Extrasolar Planet: Earth Model Validation Using EPOXI Earth Observations

The EPOXI Discovery Mission of Opportunity reused the Deep Impact flyby spacecraft to obtain spatially and temporally resolved visible photometric and moderate resolution near-infrared (NIR) spectroscopic observations of Earth. These remote observations provide a rigorous validation of whole disk Earth model simulations used to better under- stand remotely detectable extrasolar planet characteristics. We have used these data to upgrade, correct, and validate the NASA Astrobiology Institute s Virtual Planetary Laboratory three-dimensional line-by-line, multiple-scattering spectral Earth model (Tinetti et al., 2006a,b). This comprehensive model now includes specular reflectance from the ocean and explicitly includes atmospheric effects such as Rayleigh scattering, gas absorption, and temperature structure. We have used this model to generate spatially and temporally resolved synthetic spectra and images of Earth for the dates of EPOXI observation. Model parameters were varied to yield an optimum fit to the data. We found that a minimum spatial resolution of approx.100 pixels on the visible disk, and four categories of water clouds, which were defined using observed cloud positions and optical thicknesses, were needed to yield acceptable fits. The validated model provides a simultaneous fit to the Earth s lightcurve, absolute brightness, and spectral data, with a root-mean-square error of typically less than 3% for the multiwavelength lightcurves, and residuals of approx.10% for the absolute brightness throughout the visible and NIR spectral range. We extend our validation into the mid-infrared by comparing the model to high spectral resolution observations of Earth from the Atmospheric Infrared Sounder, obtaining a fit with residuals of approx.7%, and temperature errors of less than 1K in the atmospheric window. For the purpose of understanding the observable characteristics of the distant Earth at arbitrary viewing geometry and observing cadence, our validated forward model can be used to simulate Earth s time dependent brightness and spectral properties for wavelengths from the far ultraviolet to the far infrared.brightness

Robinson, Tyler D.↗

NASA NTRS1978

Limb-darkening and the structure of the Jovian atmosphere

By observing the transit of various cloud features across the Jovian disk, limb-darkening curves were constructed for three regions in the 4.6 to 5.1 mu cm band. Several models currently employed in describing the radiative or dynamical properties of planetary atmospheres are here examined to understand their implications for limb-darkening. The statistical problem of fitting these models to the observed data is reviewed and methods for applying multiple regression analysis are discussed. Analysis of variance techniques are introduced to test the viability of a given physical process as a cause of the observed limb-darkening.

Newman, W. I.↗

NASA NTRS1981

Use of collateral information to improve LANDSAT classification accuracies

Methods to improve LANDSAT classification accuracies were investigated including: (1) the use of prior probabilities in maximum likelihood classification as a methodology to integrate discrete collateral data with continuously measured image density variables; (2) the use of the logit classifier as an alternative to multivariate normal classification that permits mixing both continuous and categorical variables in a single model and fits empirical distributions of observations more closely than the multivariate normal density function; and (3) the use of collateral data in a geographic information system as exercised to model a desired output information layer as a function of input layers of raster format collateral and image data base layers.

Strahler, A. H.↗