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At least 883 records · Page 49

Data analytics approach to predict high-temperature cyclic oxidation kinetics of NiCr-based Alloys

Abstract Although of practical importance, there is no established modeling framework to accurately predict high-temperature cyclic oxidation kinetics of multi-component alloys due to the inherent complexity. We present a data analytics approach to predict the oxidation rate constant of NiCr-based alloys as a function of composition and temperature with a highly consistent and well-curated experimental dataset. Two characteristic oxidation models, i.e., a simple parabolic law and a statistical cyclic oxidation model, have been chosen to numerically represent the high-temperature oxidation kinetics of commercial and model NiCr-based alloys. We have successfully trained machine learning (ML) models using highly ranked key input features identified by correlation analysis to accurately predict experimental parabolic rate constants ( k p ). This study demonstrates the potential of ML approaches to predict oxidation kinetics of alloys over wide composition and temperature ranges. This approach can also serve as a basis for introducing more physically meaningful ML input features to predict the comprehensive cyclic oxidation behavior of multi-component high-temperature alloys with proper constraints based on the known underlying mechanisms.

36 MATERIALS SCIENCE↗

Development of a simplified procedure for thrust chamber life prediction

An analytical design procedure for predicting thrust chamber life considering cyclically induced thinning and bulging of the hot gas wall is developed. The hot gas wall, composed of ligaments connecting adjacent cooling channel ribs and separating the coolant flow from the combustion gas, is subjected to pressure loading and severe thermal cycling. Thermal transients during start up and shut down cause plastic straining through the ligaments. The primary bending stress superimposed on the alternate in-plane cyclic straining causes incremental bulging of the ligaments during each firing cycle. This basic mechanism of plastic ratcheting is analyzed and a method developed for determining ligament deformation and strain. The method uses a yield surface for combined bending and membrane loading to determine the incremental permanent deflection and pregressive thinning near the center of the ligaments which cause the geometry of the ligaments to change as the incremental strains accumulate. Fatigue and tensile instability are affected by these local geometry changes. Both are analyzed and a failure criterion developed.

Porowski, J. S.↗

Predicting diagnostic error in radiology via eye-tracking and image analytics: Preliminary investigation in mammography

Purpose: The primary aim of the present study was to test the feasibility of predicting diagnostic errors in mammography by merging radiologists’ gaze behavior and image characteristics. A secondary aim was to investigate group-based and personalized predictive models for radiologists of variable experience levels.Methods: The study was performed for the clinical task of assessing the likelihood of malignancy of mammographic masses. Eye-tracking data and diagnostic decisions for 40 cases were acquired from four Radiology residents and two breast imaging experts as part of an IRB-approved pilot study. Gaze behavior features were extracted from the eye-tracking data. Computer-generated and BIRADS images features were extracted from the images. Finally, machine learning algorithms were used to merge gaze and image features for predicting human error. Feature selection was thoroughly explored to determine the relative contribution of the various features. Group-based and personalized user modeling was also investigated.Results: Machine learning can be used to predict diagnostic error by merging gaze behavior characteristics from the radiologist and textural characteristics from the image under review. Leveraging data collected from multiple readers produced a reasonable group model [area under the ROC curve (AUC) = 0.792 ± 0.030]. Personalized user modeling was far more accurate for the more experienced readers (AUC = 0.837 ± 0.029) than for the less experienced ones (AUC = 0.667 ± 0.099). The best performing group-based and personalized predictive models involved combinations of both gaze and image features.Conclusions: Diagnostic errors in mammography can be predicted to a good extent by leveraging the radiologists’ gaze behavior and image content.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

An analytical model to predict curvature effects of the carbon nanotube on the overall behavior of nanocomposites

In this study, analytical expressions are introduced to provide a better understanding of carbon nanotubes (CNTs) curvature on the overall behavior of nanocomposites. The curviness of CNT is modeled as the wave geometries, and the transformed physical characteristics are applied to micromechanical framework. Since five independent elastic constants of CNTs are essential to derive the waviness effect, atomistic molecular statics simulations with varying nanotube radii are conducted. Influences of CNT curviness on the effective stiffness of the nanocomposites are analyzed, noting that the curvature effect is significantly influential on the effective stiffness of the nanocomposites, and it may improve or reduce the reinforcing effect depending on the orientation of CNTs. In addition, the predictions are compared with experimental data of the CNT-reinforced nanocomposites to assess the reliability of the proposed method. The developed constitutive model is expected to be used to determine the volume concentration of the reinforcing CNTs and mechanical responses of CNT-reinforced composites under various CNT curvature, radius, and orientation conditions.

42 ENGINEERING↗

Assessment of an analytical procedure for predicting supersonic ejector nozzle performance

The ability of analysis to predict ejector nozzle characteristics over a wide range of conditions and to study the relation between design parameters and performance is assessed. The analytical method investigated provided an accurate and economical method for predicting the performance of supersonic ejector nozzles. The factors which had the greatest influence over ejector nozzle behavior were those which influenced the initial expansion and recompression process.

Anderson, B. H.↗

Experiment Verification of the Analytical Methodology to Predict the Residual Strength of Metallic Shell Structure

Experimental and analysis results for a curved, stiffened aluminum fuselage panel tested in a combined loads test machine with combined internal pressure, axial compression, and torsional shear loads are described. The experimental and analytical strain results for the panel with and without discrete source damage are presented. The effect of notch tip geometry on crack growth predictions is addressed. The crack growth trajectory predictions for the panel are presented for the applied loading conditions at failure.

Starnes, James H., Jr.↗

Modern data analytics approach to predict creep of high-temperature alloys

A breakthrough in alloy design often requires comprehensive understanding in complex multi-component/multi-phase systems to generate novel material hypotheses. We introduce a modern data analytics workflow that leverages high-quality experimental data augmented with advanced features obtained from high-fidelity models. Herein, we use an example of a consistently-measured creep dataset of developmental high-temperature alloy combined with scientific alloy features populated from a high-throughput computational thermodynamic approach. Extensive correlation analyses provide ranking insights for most impactful alloy features for creep resistance, evaluated from a large set of candidate features suggested by domain experts. We also show that we can accurately train machine learning models by integrating high-ranking features obtained from correlation analyses. Consequently, the demonstrated approach can be extended beyond incorporating thermodynamic features, with input from domain experts used to compile lists of features from other alloy physics, such as diffusion kinetics and microstructure evolution.

36 MATERIALS SCIENCE↗

A Simple Analytical Model for Predicting the Detectable Ion Current in Ion Mobility Spectrometry Using Corona Discharge Ionization Sources

Corona discharge ionization sources are often used in ion mobility spectrometers (IMS) when a non-radioactive ion source with high ion currents is required. Typically, the corona discharge is followed by a reaction region where analyte ions are formed from the reactant ions. In this work, we present a simple yet sufficiently accurate model for predicting the ion current available at the end of this reaction region when operating at reduced pressure as in High Kinetic Energy Ion Mobility Spectrometers (HiKE-IMS) or most IMS-MS instruments. It yields excellent qualitative agreement with measurement results and is even able to calculate the ion current within an error of 15%. Additional interesting findings of this model are the ion current at the end of the reaction region being independent from the ion current generated by the corona discharge and the ion current in High Kinetic Energy Ion Mobility Spectrometers (HiKE-IMS) growing quadratically when scaling down the length of the reaction region. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Residual Stress in Cold Spray SS304L Measured Via Neutron Diffraction and Comparison of Analytical Models to Predict the Residual Stress

Here, this study employs neutron diffraction to investigate the relationship between residual stress and coating thickness in cold sprayed 304L austenitic stainless steel. Results show that shot peening predominantly impacts the residual stress profile, leading to substantial in-plane compressive force. The impact of laser heating, a widely used method to alter cold spray's microstructural properties, on the coating's residual stress is also analyzed. The findings indicate that the maximum compressive residual stress in the in-plane component is mainly independent of coating thickness, which suggests that the material properties determine the maximum residual stress. The cold sprayed deposits possessed compressive, nearly biaxial strain and stresses. After laser heating, these stresses were replaced by tensile residual stresses. Two analytical models, the Tsui and Clyne and the Boruah models, for predicting residual stresses are also evaluated, and both models provide reasonable fits to the experimental data. At this point, the deviations between the experimental results and the models are principally caused by the inability of the current models to address plastic deformation and relaxation, and the residual stresses generated by thermal gradients.

36 MATERIALS SCIENCE↗

Analytical method for predicting the pressure distribution about a nacelle at transonic speeds

The formulation and development of a computer analysis for the calculation of streamlines and pressure distributions around two-dimensional (planar and axisymmetric) isolated nacelles at transonic speeds are described. The computerized flow field analysis is designed to predict the transonic flow around long and short high-bypass-ratio fan duct nacelles with inlet flows and with exhaust flows having appropriate aerothermodynamic properties. The flow field boundaries are located as far upstream and downstream as necessary to obtain minimum disturbances at the boundary. The far-field lateral flow field boundary is analytically defined to exactly represent free-flight conditions or solid wind tunnel wall effects. The inviscid solution technique is based on a Streamtube Curvature Analysis. The computer program utilizes an automatic grid refinement procedure and solves the flow field equations with a matrix relaxation technique. The boundary layer displacement effects and the onset of turbulent separation are included, based on the compressible turbulent boundary layer solution method of Stratford and Beavers and on the turbulent separation prediction method of Stratford.

Keith, J. S.↗

Data Analytics for Catalysis Predictions: Are We Ready Yet?

Catalysis informatics has received tremendous attention in recent years as a tool to design catalysts and discover unique descriptors that capture the relationships between chemical properties and catalytic performance. One of the stop-gaps in understanding catalytic effects, which is often ignored and limits the deployment of data science tools, relates to the lack of uniform data. The catalytic cleavage of C–X (X= H, C, N, and O) bonds is relevant to many fundamental catalytic processes. In this Perspective, we performed data analytics on four groups of C–X cleavage reactions that are common in production, upcycling, or reactive separation: the C–C cleavage in cyclopropyl alcohol, the C–H cleavage in hydroacylation reactions, the C–O cleavage in β-O-4 linkages, and the C–N cleavage in amides, using experimental data collected from the literature to understand their underlying correlations. Experimental variables of high impact are identified for each reaction by dimensionality reduction methods. We highlight the urgent need for experimental data sets that include full details on the reaction conditions, such as reagent concentration, reaction temperature, or time in machine-readable forms. We discuss the potential improvement of the data of these reactions and promising approaches such as autonomous experiments to fill the gaps in unbiased experimental data. Finally, we also address the early stage consideration of separation aspects in the experimental design of efficient catalytic systems for these fundamental examples of chemical reactivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Validation of Combined Analytical Methods to Predict Slip in Cylindrical Roller Bearings

This paper presents a combination of models that together calculate the cage and roller speeds of a cylindrical roller bearing. The models consider elastohydrodynamic lubrication and contact elasticity between the roller and raceway, roller centrifugal forces, hydrodynamic lubrication at the cage pocket, and frictional forces. Using these models, the predicted cage and roller speeds and the extent of slip are compared to measurements acquired on cylindrical roller bearings in a commercial gearbox in steady-state and transient operating conditions of a wind turbine. In steady-state conditions at low wind speeds and low lubricant temperatures, cage and roller slip up to 60% occur in the loaded zone of the bearing. In the unloaded zone, up to 80% roller slip occurs. Cage and roller slip then decrease as the lubricant temperature and wind speed increases. In general, the analytical model results match experimental measurements within 10% for lubricant temperatures above 40 degrees C and wind speeds over 10 meters per second. The analytical model is further evaluated during a transient start-up event and highly dynamic emergency stop event and also used to examine changes in the bearing design or lubricant properties. Furthermore, roller and cage slip in cylindrical bearings is a combined effect of the bearing design, applied load, shaft speed, and lubricant properties and temperature, and can be quickly evaluated with the combined analytical models.

17 WIND ENERGY↗

An Analytical Model for the Prediction of a Micro-Dosimeter Response Function

A rapid analytical procedure for the prediction of a micro-dosimeter response function in low Earth orbit (LEO), correlated with the Space Transportation System (STS, shuttle) Tissue Equivalent Proportional Counter (TEPC) measurements is presented. The analytical model takes into consideration the energy loss straggling and chord length distribution of the detector, and is capable of predicting energy deposition fluctuations in a cylindrical micro-volume of arbitrary aspect ratio (height/diameter) by incoming ions through both direct and indirect (ray) events. At any designated (ray traced) target point within the vehicle, the model accepts the differential flux spectrum of Galactic Cosmic Rays (GCR) and/or trapped protons at LEO as input. On a desktop PC, the response function of TEPC for each ion in the GCR/trapped field is computed at the average rate of 30 seconds/ion. The ionizing radiation environment at LEO is represented by O'Neill fs GCR model (2004), covering charged particles in the 1 less than or equal to Z less than or equal to 28. O'Neill's free space GCR model is coupled with the Langley Research Center (LaRC) angular dependent geomagnetic cutoff model to compute the transmission coefficient in LEO. The trapped proton environment is represented by a LaRC developed time dependent procedure which couples the AP8MIN/AP8MAX, Deep River Neutron Monitor (DRNM) and F10.7 solar radio frequency measurements. The albedo neutron environment is represented by the extrapolation of the Atmospheric Ionizing Radiation (AIR) measurements. The charged particle transport calculations correlated with STS 51 and 114 flights are accomplished by using the most recent version (2005) of the LaRC deterministic High charge (Z) and Energy TRaNsport (HZETRN) code. We present the correlations between the TEPC model predictions (response function) and TEPC measured differential/integral spectra in the lineal energy (y) domain for both GCR and trapped protons, with the conclusion that the model correctly accounts for the increase in flux at low y values where energetic ions are the primary contributor. We further discuss that, even with the incorporation of angular dependency in the cutoffs, comparison of the GCR differential/integral flux between STS 51 and 114 TEPC measured data and current calculations indicates that there still exists an underestimation by the simulations at low to mid range y values. This underestimation is partly related the exclusion of the secondary pion particle production from the current version of HZETRN.

Badavi, Francis F.↗