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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Model Intercomparison of Indirect Aerosol Effects

Modeled differences in predicted effects are increasingly used to help quantify the uncertainty of these effects. Here, we examine modeled differences in the aerosol indirect effect in a series of experiments that help to quantify how and why model-predicted aerosol indirect forcing varies between models. The experiments start with an experiment in which aerosol concentrations, the parameterization of droplet concentrations and the autoconversion scheme are all specified and end with an experiment that examines the predicted aerosol indirect forcing when only aerosol sources are specified. Although there are large differences in the predicted liquid water path among the models, the predicted aerosol first indirect effect for the first experiment is rather similar, about -0.6 W/sq m to -0.7 W/sq m. Changes to the autoconversion scheme can lead to large changes in the liquid water path of the models and to the response of the liquid water path to changes in aerosols. Adding an autoconversion scheme that depends on the droplet concentration caused a larger (negative) change in net outgoing shortwave radiation compared to the 1st indirect effect, and the increase varied from only 22% to more than a factor of three. The change in net shortwave forcing in the models due to varying the autoconversion scheme depends on the liquid water content of the clouds as well as their predicted droplet concentrations, and both increases and decreases in the net shortwave forcing can occur when autoconversion schemes are changed. The parameterization of cloud fraction within models is not sensitive to the aerosol concentration, and, therefore, the response of the modeled cloud fraction within the present models appears to be smaller than that which would be associated with model "noise". The prediction of aerosol concentrations, given a fixed set of sources, leads to some of the largest differences in the predicted aerosol indirect radiative forcing among the models, with values of cloud forcing ranging from -0.3 W/sq m to -1.4W/sq m. Thus, this aspect of modeling requires significant improvement in order to improve the prediction of aerosol indirect effects.

Penner, J. E.↗
NASA NTRS2018

(GO)2-SIM: a GCM-Oriented Ground-Observation Forward-Simulator Framework for Objective Evaluation of Cloud and Precipitation Phase

General circulation model (GCM) evaluation using ground-based observations is complicated by inconsistencies in hydrometeor and phase definitions. Here we describe (GO)2-SIM, a forward simulator designed for objective hydrometeor-phase evaluation, and assess its performance over the North Slope of Alaska using a 1-year GCM simulation. For uncertainty assessment, 18 empirical relationships are used to convert model grid-average hydrometeor (liquid and ice, cloud, and precipitation) water contents to zenith polarimetric micropulse lidar and Ka-band Doppler radar measurements, producing an ensemble of 576 forward-simulation realizations. Sensor limitations are represented in forward space to objectively remove from consideration model grid cells with undetectable hydrometeor mixing ratios, some of which may correspond to numerical noise.Phase classification in forward space is complicated by the inability of sensors to measure ice and liquid signals distinctly. However, signatures exist in lidar–radar space such that thresholds on observables can be objectively estimated and related to hydrometeor phase. The proposed phase-classification technique leads to misclassification in fewer than 8% of hydrometeor-containing grid cells. Such misclassifications arise because, while the radar is capable of detecting mixed-phase conditions, it can mistake water- for ice-dominated layers. However, applying the same classification algorithm to forward-simulated and observed fields should generate hydrometeor-phase statistics with similar uncertainty. Alternatively, choosing to disregard how sensors define hydrometeor phase leads to frequency of occurrence discrepancies of up to 40%. So, while hydrometeor-phase maps determined in forward space are very different from model "reality" they capture the information sensors can provide and thereby enable objective model evaluation.

Lamer, K.↗
NASA NTRS2008

Cryogenic Pressure Control Modeling for Ellipsoidal Space Tanks in Reduced Gravity

A computational fluid dynamics (CFD) model is developed to simulate pressure control of an ellipsoidal-shaped liquid hydrogen tank under external heating in low gravity. Pressure control is provided by an axial jet thermodynamic vent system (TVS) centered within the vessel that injects cooler liquid into the tank, mixing the contents and reducing tank pressure. The two-phase cryogenic tank model considers liquid hydrogen in its own vapor with liquid density varying with temperature only and a fully compressible ullage. The axisymmetric model is developed using a custom version of the commercially available FLOW-3D software and simulates low gravity extrapolations of engineering checkout tests performed at Marshall Space Flight Center in 1999 in support of the Solar Thermal Upper Stage Technology Demonstrator (STUSTD) program. Model results illustrate that stable low gravity liquid-gas interfaces are maintained during all phases of the pressure control cycle. Steady and relatively smooth ullage pressurization rates are predicted. This work advances current low gravity CFD modeling capabilities for cryogenic pressure control and aids the development of a low cost CFD-based design process for space hardware.

Hedayat, Ali↗
NASA NTRS2007

Cryogenic Pressure Control Modeling for Ellipsoidal Space Tanks

A computational fluid dynamics (CFD) model is developed to simulate pressure control of an ellipsoidal-shaped liquid hydrogen tank under external heating in normal gravity. Pressure control is provided by an axial jet thermodynamic vent system (TVS) centered within the vessel that injects cooler liquid into the tank, mixing the contents and reducing tank pressure. The two-phase cryogenic tank model considers liquid hydrogen in its own vapor with liquid density varying with temperature only and a fully compressible ullage. The axisymmetric model is developed using a custom version of the commercially available FLOW-31) software. Quantitative model validation is ,provided by engineering checkout tests performed at Marshall Space Flight Center in 1999 in support of the Solar Thermal Upper Stage_ Technology Demonstrator (STUSTD) program. The engineering checkout tests provide cryogenic tank self-pressurization test data at various heat leaks and tank fill levels. The predicted self-pressurization rates, ullage and liquid temperatures at discrete locations within the STUSTD tank are in good agreement with test data. The work presented here advances current CFD modeling capabilities for cryogenic pressure control and helps develop a low cost CFD-based design process for space hardware.

Lopez, Alfredo↗
NASA NTRS1995

Modeling and parameterization of horizontally inhomogeneous cloud radiative properties

One of the fundamental difficulties in modeling cloud fields is the large variability of cloud optical properties (liquid water content, reflectance, emissivity). The stratocumulus and cirrus clouds, under special consideration for FIRE, exhibit spatial variability on scales of 1 km or less. While it is impractical to model individual cloud elements, the research direction is to model a statistical ensembles of cloud elements with mean-cloud properties specified. The major areas of this investigation are: (1) analysis of cloud field properties; (2) intercomparison of cloud radiative model results with satellite observations; (3) radiative parameterization of cloud fields; and (4) development of improved cloud classification algorithms.

Welch, R. M.↗
NASA NTRS2016

Ice-Accretion Test Results for Three Large-Scale Swept-Wing Models in the NASA Icing Research Tunnel

Icing simulation tools and computational fluid dynamics codes are reaching levels of maturity such that they are being proposed by manufacturers for use in certification of aircraft for flight in icing conditions with increasingly less reliance on natural-icing flight testing and icing-wind-tunnel testing. Sufficient high-quality data to evaluate the performance of these tools is not currently available. The objective of this work was to generate a database of ice-accretion geometry that can be used for development and validation of icing simulation tools as well as for aerodynamic testing. Three large-scale swept wing models were built and tested at the NASA Glenn Icing Research Tunnel (IRT). The models represented the Inboard (20 percent semispan), Midspan (64 percent semispan) and Outboard stations (83 percent semispan) of a wing based upon a 65 percent scale version of the Common Research Model (CRM). The IRT models utilized a hybrid design that maintained the full-scale leading-edge geometry with a truncated afterbody and flap. The models were instrumented with surface pressure taps in order to acquire sufficient aerodynamic data to verify the hybrid model design capability to simulate the full-scale wing section. A series of ice-accretion tests were conducted over a range of total temperatures from -23.8 to -1.4 C with all other conditions held constant. The results showed the changing ice-accretion morphology from rime ice at the colder temperatures to highly 3-D scallop ice in the range of -11.2 to -6.3 C. Warmer temperatures generated highly 3-D ice accretion with glaze ice characteristics. The results indicated that the general scallop ice morphology was similar for all three models. Icing results were documented for limited parametric variations in angle of attack, drop size and cloud liquid-water content (LWC). The effect of velocity on ice accretion was documented for the Midspan and Outboard models for a limited number of test cases. The data suggest that there are morphological characteristics of glaze and scallop ice accretion on these swept-wing models that are dependent upon the velocity. This work has resulted in a large database of ice-accretion geometry on large-scale, swept-wing models.

Wing Aerodynamics↗
NASA NTRS2016

Ice-Accretion Test Results for Three Large-Scale Swept-Wing Models in the NASA Icing Research Tunnel

Icing simulation tools and computational fluid dynamics codes are reaching levels of maturity such that they are being proposed by manufacturers for use in certification of aircraft for flight in icing conditions with increasingly less reliance on natural-icing flight testing and icing-wind-tunnel testing. Sufficient high-quality data to evaluate the performance of these tools is not currently available. The objective of this work was to generate a database of ice-accretion geometry that can be used for development and validation of icing simulation tools as well as for aerodynamic testing. Three large-scale swept wing models were built and tested at the NASA Glenn Icing Research Tunnel (IRT). The models represented the Inboard (20% semispan), Midspan (64% semispan) and Outboard stations (83% semispan) of a wing based upon a 65% scale version of the Common Research Model (CRM). The IRT models utilized a hybrid design that maintained the full-scale leading-edge geometry with a truncated afterbody and flap. The models were instrumented with surface pressure taps in order to acquire sufficient aerodynamic data to verify the hybrid model design capability to simulate the full-scale wing section. A series of ice-accretion tests were conducted over a range of total temperatures from -23.8 deg C to -1.4 deg C with all other conditions held constant. The results showed the changing ice-accretion morphology from rime ice at the colder temperatures to highly 3-D scallop ice in the range of -11.2 deg C to -6.3 deg C. Warmer temperatures generated highly 3-D ice accretion with glaze ice characteristics. The results indicated that the general scallop ice morphology was similar for all three models. Icing results were documented for limited parametric variations in angle of attack, drop size and cloud liquid-water content (LWC). The effect of velocity on ice accretion was documented for the Midspan and Outboard models for a limited number of test cases. The data suggest that there are morphological characteristics of glaze and scallop ice accretion on these swept-wing models that are dependent upon the velocity. This work has resulted in a large database of ice-accretion geometry on large-scale, swept-wing models.

Wind-Tunnel Tests↗
DOE OSTI2025

Interpretable machine learning-guided design of Fe-based soft magnetic alloys

Here, we present a machine learning (ML) guided approach to predict saturation magnetization (𝑀 S ) and coercivity (𝐻 C ) in Fe-rich soft magnetic alloys, particularly Fe-Si-B systems. ML models trained on experimental data reveal that increasing Si and B content reduces 𝑀 S from 1.81 T (DFT ≈ 2.04 T) to ≈1.54 T (DFT ≈ 1.56T) in Fe-Si-B, which is attributed to decreased magnetic density and structural modifications. Experimental validation of ML predicted magnetic saturation on Fe-1Si-1B (2.09 T), Fe-5Si-5B (2.01 T), and Fe-10Si-10B (1.54 T) alloy compositions further supports our findings. These trends are consistent with density functional theory predictions, which link increased electronic disorder and band broadening to lower 𝑀 S values. Experimental validation on selected alloys confirms the predictive accuracy of the ML model, with good agreement across compositions. Beyond predictive accuracy, detailed uncertainty quantification and model interpretability including through feature importance and partial dependence analysis reveal that 𝑀 S is governed by a nonlinear interplay between Fe content and early transition metal ratios, while 𝐻 C is more sensitive to processing conditions such as ribbon thickness and thermal treatment windows. The ML framework was further applied to Fe-Si-B/Cr/Cu/Zr/Nb alloys in a pseudoquaternary compositional space, which shows comparable magnetic properties to NANOMET (Fe 84.8 ⁢Si 0.5 ⁢B 9.4 ⁢Cu 0.8⁢ P 3.5 ⁢C 1 ), FINEMET (Fe 73.5 ⁢Si 13.5 ⁢B 9 Cu 1 ⁢Nb 3 ), NANOPERM (Fe 88 ⁢Zr 7⁢ B 4 ⁢Cu 1 ), and HITPERM (Fe 44 ⁢Co 44 ⁢Zr 7⁢ B 4 ⁢Cu 1 . Our findings demonstrate the potential of the ML framework for accelerated search of high-performance soft magnetic materials.

density functional theory↗
NASA NTRS2017

Comparisons of Mixed-Phase Icing Cloud Simulations with Experiments Conducted at the NASA Propulsion Systems Laboratory

This paper builds on previous work that compares numerical simulations of mixed-phase icing clouds with experimental data. The model couples the thermal interaction between ice particles and water droplets of the icing cloud with the flowing air of an icing wind tunnel for simulation of NASA Glenn Research Centers (GRC) Propulsion Systems Laboratory (PSL). Measurements were taken during the Fundamentals of Ice Crystal Icing Physics Tests at the PSL tunnel in March 2016. The tests simulated ice-crystal and mixed-phase icing that relate to ice accretions within turbofan engines. Experimentally measured air temperature, humidity, total water content, liquid and ice water content, as well as cloud particle size, are compared with model predictions. The model showed good trend agreement with experimentally measured values, but often over-predicted aero-thermodynamic changes. This discrepancy is likely attributed to radial variations that this one-dimensional model does not address. One of the key findings of this work is that greater aero-thermodynamic changes occur when humidity conditions are low. In addition a range of mixed-phase clouds can be achieved by varying only the tunnel humidity conditions, but the range of humidities to generate a mixed-phase cloud becomes smaller when clouds are composed of smaller particles. In general, the model predicted melt fraction well, in particular with clouds composed of larger particle sizes.

Thermal model↗
DOE OSTI2022

Modeling Spatial Distribution of Snow Water Equivalent by Combining Meteorological and Satellite Data with Lidar Maps

Abstract An accurate characterization of the water content of snowpack, or snow water equivalent (SWE), is necessary to quantify water availability and constrain hydrologic and land surface models. Recently, airborne observations (e.g., lidar) have emerged as a promising method to accurately quantify SWE at high resolutions (scales of ∼100 m and finer). However, the frequency of these observations is very low, typically once or twice per season in the Rocky Mountains of Colorado. Here, we present a machine learning framework that is based on random forests to model temporally sparse lidar-derived SWE, enabling estimation of SWE at unmapped time points. We approximated the physical processes governing snow accumulation and melt as well as snow characteristics by obtaining 15 different variables from gridded estimates of precipitation, temperature, surface reflectance, elevation, and canopy. Results showed that, in the Rocky Mountains of Colorado, our framework is capable of modeling SWE with a higher accuracy when compared with estimates generated by the Snow Data Assimilation System (SNODAS). The mean value of the coefficient of determination R 2 using our approach was 0.57, and the root-mean-square error (RMSE) was 13 cm, which was a significant improvement over SNODAS (mean R 2 = 0.13; RMSE = 20 cm). We explored the relative importance of the input variables and observed that, at the spatial resolution of 800 m, meteorological variables are more important drivers of predictive accuracy than surface variables that characterize the properties of snow on the ground. This research provides a framework to expand the applicability of lidar-derived SWE to unmapped time points. Significance Statement Snowpack is the main source of freshwater for close to 2 billion people globally and needs to be estimated accurately. Mountainous snowpack is highly variable and is challenging to quantify. Recently, lidar technology has been employed to observe snow in great detail, but it is costly and can only be used sparingly. To counter that, we use machine learning to estimate snowpack when lidar data are not available. We approximate the processes that govern snowpack by incorporating meteorological and satellite data. We found that variables associated with precipitation and temperature have more predictive power than variables that characterize snowpack properties. Our work helps to improve snowpack estimation, which is critical for sustainable management of water resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Expression of a bacterial 3-dehydroshikimate dehydratase (QsuB) reduces lignin and improves biomass saccharification efficiency in switchgrass (Panicum virgatum L.)

Abstract Background Lignin deposited in plant cell walls negatively affects biomass conversion into advanced bioproducts. There is therefore a strong interest in developing bioenergy crops with reduced lignin content or altered lignin structures. Another desired trait for bioenergy crops is the ability to accumulate novel bioproducts, which would enhance the development of economically sustainable biorefineries. As previously demonstrated in the model plant Arabidopsis, expression of a 3-dehydroshikimate dehydratase in plants offers the potential for decreasing lignin content and overproducing a value-added metabolic coproduct (i.e., protocatechuate) suitable for biological upgrading. Results The 3-dehydroshikimate dehydratase QsuB from Corynebacterium glutamicum was expressed in the bioenergy crop switchgrass ( Panicum virgatum L.) using the stem-specific promoter of an O-methyltransferase gene ( pShOMT ) from sugarcane. The activity of pShOMT was validated in switchgrass after observation in-situ of beta-glucuronidase (GUS) activity in stem nodes of plants carrying a pShOMT::GUS fusion construct. Under controlled growth conditions, engineered switchgrass lines containing a pShOMT::QsuB construct showed reductions of lignin content, improvements of biomass saccharification efficiency, and accumulated higher amount of protocatechuate compared to control plants. Attempts to generate transgenic switchgrass lines carrying the QsuB gene under the control of the constitutive promoter pZmUbi-1 were unsuccessful, suggesting possible toxicity issues associated with ectopic QsuB expression during the plant regeneration process. Conclusion This study validates the transfer of the QsuB engineering approach from a model plant to switchgrass. We have demonstrated altered expression of two important traits: lignin content and accumulation of a co-product. We found that the choice of promoter to drive QsuB expression should be carefully considered when deploying this strategy to other bioenergy crops. Field-testing of engineered QsuB switchgrass are in progress to assess the performance of the introduced traits and agronomic performances of the transgenic plants.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1987

A numerical modeling study of a Montana thunderstorm. I - Model results versus observations involving nonelectrical aspects. II - Model results versus observations involving electrical aspects

Model results and the observed cloud behavior are examined in terms of nonelectrical and electrical aspects of a thunderstorm. The characteristics of the two-dimensional, time-dependent atmospheric electricity model used to simulate the cloud observations of July 19, 1981 in Miles City, Montana are described. The interactions of the dynamics and microphysics of the cloud with the charge separation mechanisms are analyzed. It is observed that the model accurately represents many of the observed characteristics of the cloud; however, the cloud base height, maximum liquid water content, and the time from first formation of precipitation until it reaches the ground are not accurately modeled. It is found that the model adequately represents the electrical field structure of the cloud and the electrical field strengths.

Helsdon, John H., Jr.↗
NASA NTRS1990

An infrared sky model based on the IRAS point source data

A detailed model for the infrared point source sky is presented that comprises geometrically and physically realistic representations of the galactic disk, bulge, spheroid, spiral arms, molecular ring, and absolute magnitudes. The model was guided by a parallel Monte Carlo simulation of the Galaxy. The content of the galactic source table constitutes an excellent match to the 12 micrometer luminosity function in the simulation, as well as the luminosity functions at V and K. Models are given for predicting the density of asteroids to be observed, and the diffuse background radiance of the Zodiacal cloud. The model can be used to predict the character of the point source sky expected for observations from future infrared space experiments.

Cohen, Martin↗
DOE OSTI2021

Time-dependent water vapor desorption isotherm model of hardened cement paste

Highlights: • Short-term and long-term desorption isotherms of hardened cement paste are reviewed. • Water content at RH depends on both thermodynamic and microstructural equilibria. • An extended GAB equation is proposed to fit the cavitation drop during desorption. • A dynamic time-dependent sorption isotherm model is shown and used for simulations. • Numerical results capture anomalous drying in the same RH as seen experimentally. This study aims to enhance moisture transport modeling by elucidating the so-called anomalous water diffusion in cementitious materials. Water desorption isotherms are measured from samples at various drying stages using techniques with different durations to quantify the impact of the drying duration on the water sorption ability. A single water sorption isotherm does not solely give a relationship between the water content and relative humidity but also represents the state of microstructure. The continuous evolution of a desorption isotherm due to drying-induced microstructural rearrangement is demonstrated. For numerical modeling, the microstructural alteration can be explicitly considered through a dynamic desorption isotherm model, which governs the local thermodynamic equilibrium at the capillary meniscus. This approach is implemented into a multiphase transport code, whose ability to predict drying is validated using literature data. Finally, the effect of prolonged drying on the colloidal nature of the calcium-silicate-hydrate gel is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Co-ion specific effect on sodium halides sorption and transport in a cross-linked poly(p-styrene sulfonate-co-divinylbenzene) for membrane applications

Here, sodium halide sorption and transport in a cation exchange membrane based on cross-linked poly(p-styrene sulfonate-co-divinylbenzene) (CR61) were investigated experimentally and theoretically. At fixed co-ion valence, sodium halide partitioning between aqueous electrolyte solutions and ion exchange polymers is only minimally sensitive to co-ion chemical identity. NaCl, NaF and NaI exhibit similar solubility coefficients in CR61, which agrees reasonably well with predictions of the Donnan-Manning model, especially at high external salt concentrations. Ion activity coefficients in the membrane were evaluated and ion sorption thermodynamics were investigated. Ion diffusion coefficients in CR61 were predicted using a recently developed framework based on the Manning diffusion model, which accounts for electrostatic effects on ion diffusion, and the Mackie-Meares model, which accounts for tortuosity/area effects on ion diffusion in swollen polymers. Model predictions agree reasonably well with the experimental data, especially at high external salt concentrations. The observed decrease in salt diffusion coefficients in CR61 relative to values in aqueous solutions is due primarily to tortuosity/area effects. Salt diffusion coefficients correlate with co-ion hydrated radius and membrane water content. Finally, salt permeability coefficients predicted using the solution-diffusion model exhibit good agreement with experimental data, especially at external salt concentration greater than 0.1 mol/L.

42 ENGINEERING↗
DOE OSTI2023

Preventative studies should begin now for detecting AI-generated microscopy images

With the rapid progress made in artificial intelligence (AI), text, images, and even videos that are often indistinguishable from human-created content can now be easily generated using new AI models. In this essay, we call attention to the potential misuse of advanced AI models to generate microscopy images, as it could challenge reviewers and fraud hunters in an unprecedented way. This concern is more than hypothetical because relevant open-sourced implementations and datasets are widely available. As a result, we urge that preventative studies on methods to detect microscopy image fabrication should begin now before potential misconduct materializes and becomes widespread.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

High-Throughput Microfluidics Platform for Intracellular Delivery and Sampling of Biomolecules from Live Cells

Nondestructive cell membrane permeabilization systems enable the intracellular delivery of exogenous biomolecules for cell engineering tasks as well as the temporal sampling of cytosolic contents from live cells for the analysis of dynamic processes. Here, in this paper, we report a microwell array format live-cell analysis device (LCAD) that can perform localized-electroporation induced membrane permeabilization, for cellular delivery or sampling, and directly interfaces with surface-based biosensors for analyzing the extracted contents. We demonstrate the capabilities of the LCAD via an automated high-throughput workflow for multimodal analysis of live-cell dynamics, consisting of quantitative measurements of enzyme activity using self-assembled monolayers for MALDI mass spectrometry (SAMDI) and deep-learning enhanced imaging and analysis. By combining a fabrication protocol that enables robust assembly and operation of multilayer devices with embedded gold electrodes and an automated imaging workflow, we successfully deliver functional molecules (plasmid and siRNA) into live cells at multiple time-points and track their effect on gene expression and cell morphology temporally. Furthermore, we report sampling performance enhancements, achieving saturation levels of protein tyrosine phosphatase activity measured from as few as 60 cells, and demonstrate control over the amount of sampled contents by optimization of electroporation parameters using a lumped model. Lastly, we investigate the implications of cell morphology on electroporation-induced sampling of fluorescent molecules using a deep-learning enhanced image analysis workflow.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Classifying and analyzing small-angle scattering data using weighted k nearest neighbors machine learning techniques

A consistent challenge for both new and expert practitioners of small-angle scattering (SAS) lies in determining how to analyze the data, given the limited information content of said data and the large number of models that can be employed. Machine learning (ML) methods are powerful tools for classifying data that have found diverse applications in many fields of science. Here, ML methods are applied to the problem of classifying SAS data for the most appropriate model to use for data analysis. The approach employed is built around the method of weighted k nearest neighbors (wKNN), and utilizes a subset of the models implemented in the SasView package (https://www.sasview.org/) for generating a well defined set of training and testing data. The prediction rate of the wKNN method implemented here using a subset of SasView models is reasonably good for many of the models, but has difficulty with others, notably those based on spherical structures. A novel expansion of the wKNN method was also developed, which uses Gaussian processes to produce local surrogate models for the classification, and this significantly improves the classification accuracy. Further, by integrating a stochastic gradient descent method during post-processing, it is possible to leverage the local surrogate model both to classify the SAS data with high accuracy and to predict the structural parameters that best describe the data. The linking of data classification and model fitting has the potential to facilitate the translation of measured data into results for both novice and expert practitioners of SAS.

97 MATHEMATICS AND COMPUTING↗