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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 613 records · Page 34

Regimes of evaporation and mixing behaviors of nanodroplets at transcritical conditions

The objective of this paper is to examine the fundamental mechanisms responsible for the transition between subcritical evaporation and supercritical dense-fluid-mixing in the absence of convection effects, specifically focusing on the liquid–vapor interfacial dynamics. To isolate the dynamics of this transition process, we characterize the different physical behaviors exhibited by an -dodecane nanoscale droplet placed in different nitrogen ambient conditions across the fuel’s critical point. We employ a continuum-based interface-resolving diffuse-interface method to explore the underlying phase-exchange mechanisms that bring about such distinct dynamics. Following the comparison against molecular dynamics simulations and experiments of evaporating droplets and experimental data for vapor–liquid equilibria, a parametric study at various ambient conditions and droplet sizing is performed to identify four regimes of evaporation/mixing behaviors: sub- and supercritical droplet evaporation, and sub- and supercritical dense-fluid-mixing. It is shown that the distinction in the phase-exchange mechanisms in these four regimes are brought about by the different thermodynamic phases the droplet center can exhibit during the evaporation/mixing process: subcritical liquid, supercritical liquid-like, subcritical gaseous, and supercritical gas-like, respectively. It is shown that the subcritical dense-fluid-mixing behavior is a direct result of nanoconfinement of the liquid–vapor interfacial structure and thus is not present for large droplet sizes. Finally, the present study also shows that the supercritical phase-exchange dynamics can follow two different pathways: supercritical droplet-like evaporation and supercritical dense-fluid-mixing. Furthermore, promoting the early transition to supercritical dense-fluid-mixing can significantly expedite the phase-exchange process through the disintegration of the liquid-like droplet core.

42 ENGINEERING↗

Rate expressions and kinetic parameters for metal ferrites in relation to applications of fossil fuel conversion to hydrogen: Part 1 of 2

Here, the goal of the present work was to provide the necessary reaction emulation information to enable detailed process simulation of a chemical looping H 2 production system from fossil fuels using CaFe 2 O 4 . This specifically pertained to the necessary kinetic data, reaction model development, and model rate parameters required for reaction emulation in both reducing and oxidizing environments. A logical methodology was defined, which included discretization of the reaction network, establishing a core model for reaction emulation that could be adapted based on the system phenomena, and development of a rate parameter regression tool designed around the core model. An extensive array of data sets was acquired by which parametric regressions were performed. The work presented and tabulated a comprehensive set of rate parameters for the reduction and oxidation reactions of CaFe 2 O 4 and descendent phases of Ca 2 Fe 2 O 5 , FeO, Fe 3 O 4 , Fe, and CaO to emulate reaction behavior in a looping-based process environment. This included direct reduction using CH 4 , H 2 , and CO, and direct oxidation reactions with steam, CO 2 and O 2 . Dynamic equilibrium was quantified for reactions that could utilize H 2 O and CO 2 as soft oxidants to re-saturate lattice oxygen in the depleted structure/phases. The kinetics associated with the oxidative mechanisms with the soft oxidants were quantified and compared to those of the reducing counterparts. The analysis provided critical insight to emulate reactions for a process that seeks to use natural gas (NG) or other fossil fuels as a direct reductant for the end goal of H 2 production.

calcium ferrite oxygen carriers↗

Application of the principle of corresponding states to two phase choked flow

It is pointed out that several fluids including methane, oxygen, and nitrogen appear to form an average parametric plot which indicates that the isenthalpic Joule-Thomson coefficient must nearly obey the principle of corresponding states. With this as a basis, it was assumed that there could be several thermodynamic flow processes which nearly obey the principle. An examination was made to determine whether two-phase choked flow could be one of them. The analysis is described and the results are given.

Hendricks, R. C.↗

Analysis of Open Hole Compression Specimens Using the CompDam Continuum Damage Mechanics Model

This report documents a validation study on the standard Open Hole Compression (OHC) laminate test specimen conducted as part of the NASA Advanced Composites Project (ACP). Tests were conducted on OHC specimens with hard, quasi-isotropic, and soft layups using digital image correlation and X-Ray computed tomography to capture the structural response and damage evolution. Progressive damage models were constructed for use with the CompDam continuum damage mechanics code following the best practices established during the ACP. Detailed interrogation of the analysis results and comparison with experimental measurements provide a basis for assessing the capability of the modeling approach for OHC. The structural response is found to be captured well, with strengths predicted within 3\% of the experimental values for hard and quasi-isotropic laminates. In the soft laminate, the model predicts failure to be more brittle than the nonlinear, ductile response that was measured. Damage states extracted from the models at the same load level as test measurements are overlaid to show directly the similarities and differences between test and analysis results. Studying the damage evolution predicted by the analysis reveals that the failure process is a competition between fiber damage and delamination/sub-laminate buckling, with fiber damage dominating the collapse in the hard laminate and sub-laminate buckling governing in the soft laminate. Finally, a series of parametric studies varying numerical solution parameters (mesh size, mass scaling) and physical properties (fiber direction compressive strength and toughness) reveal sensitivities and deficiencies of the model. To the authors' knowledge, this study is the first for OHC specimens to include detailed evaluation of damage mode interactions, direct overlay of predicted and measured damage states, and sensitivity of the predicted results to difficult-to-measure fiber direction material properties.

Continuum damage mechanics↗

Validation of the Community Land Model Version 5 over the Contiguous United States (CONUS) using in situ and remote sensing data sets

The Community Land Model (CLM) is an effective tool to simulate the biophysical and biogeochemical processes and their interactions with the atmosphere. Although CLM Version 5 (CLM5) constitutes various updates in these processes, its performance in simulating energy, water and carbon cycles over the Contiguous United States (CONUS) at scales which land surface changes and hydrometeorological and hydroclimatological applications are more locally relevant is yet to be assessed. In this study, we conducted three simulations at 0.125? during 1979-2018 over the CONUS using different configurations of CLM, namely CLM5-biogeochemistry (CLM5BGC), CLM4.5BGC, and CLM5-satellite phenology (CLM5SP). We validated and compared their simulations against multiple remote-sensed and in-situ datasets. Overall, the parametric and structural updates (e.g., carbon cost for nitrogen uptake, variable soil thickness, dry surface layer) in CLM5 improve its ability in capturing terrestrial biogeochemical dynamics. The low evapotranspiration in CLM5BGC is associated with biases in simulating vegetation phenological characteristics rather than soil water limitations. The mismatch between CLM5BGC-simulated peak leaf area index and reference data can be attributed to CLM5BGC's inability in simulating phenology of trees and grasses. The differences between CLM-simulated irrigation and reference estimates can be attributed to differences between processes represented in models and in reality, and uncertainties in input and validation datasets. Evaluation against observations at small catchments suggest that hydrologic parameters needed to be calibrated to improve simulations of runoff, especially subsurface runoff. Additional efforts are needed to incorporate spatially-distributed plant phenology and physiology parameters and regional-specific agricultural management practices (e.g., planting, harvest).

Cheng, Yanyan↗

Microstructure-Sensitive modeling of surface roughness and notch effects on extreme value fatigue response

Fatigue life knockdown due to surface roughness induces local stress concentrations. Physical fatigue experiments are crucial to qualify materials for use but are limited in their capability to examine the mechanisms underlying the fatigue crack formation driving force due to these stress concentrations. Microstructure-sensitive computational models can aid in this regard and are employed in this work to examine the effects of surface roughness in Al 7075-T6. Digital microstructure models are subjected to crystal plasticity finite element method (CPFEM) simulations to examine the combined effects of microstructure and grain scale asperities on the driving force for fatigue crack formation. Following elastic–plastic shakedown, mesoscale volume-averaged fatigue indicator parameters (FIPs) are computed within fatigue damage process zones of grains. An increase in the intensity of realistic surface roughness profiles corresponds accordingly to larger FIPs but it is difficult to precisely interpret the mechanisms and effects of this intensification. We thus parametrically investigate surface asperities that couple with microstructure and lack of constraint on slip at the free surface to describe microstructure-sensitive surface roughness knockdown effects on fatigue resistance. The depth of a single valley (i.e., notch) due to surface roughness is found to be more detrimental to fatigue resistance than the radius (i.e., notch width, not to be confused with notch acuity). Finally, we also find that different crystallographic textures, grain morphologies, and number of sampled grains have a limited effect on the depth of influence of these notches.

36 MATERIALS SCIENCE↗

ERTS direct readout ground station study

A system configuration which provides for a wide variety of user requirements is described. Two distinct user types are considered and optimized configurations are provided. Independent satellite transmission systems allow simultaneous signal transmission to Regional Collection Centers via a high data rate channel and to local users who require near real time consumption of lower rate data. In order to maximize the ultimate utility of this study effort, a parametric system description is given such that in essence a shopping list is provided. To achieve these results, it was necessary to consider all technical disciplines associated with high resolution satellite imaging systems including signal processing, modulation and coding, recording, and display techniques. A total systems study was performed.

Source record↗

Reflection of a shock wave from a thermally accommodating wall - Molecular simulation.

Reflection of a plane shock wave from a wall has been simulated on a microscopic scale using a direct simulation Monte Carlo technique of the type developed by Bird. A monatomic gas model representing argon was used to describe the fluid medium and a simple one-parameter accommodation coefficient model was used to describe the gas-surface interaction. The influence of surface accommodation was studied parametrically by varying the accommodation coefficient from zero to one. Results are presented showing the temporal variations of flow field density, and mass, momentum, and energy fluxes to the wall during the shock wave reflection process. The energy flux was used to determine the wall temperature history. Comparisons with experiment are found to be satisfactory where data are available.

Deiwert, G. S.↗

A simulation of air pollution model parameter estimation using data from a ground-based LIDAR remote sensor

One way to obtain estimates of the unknown parameters in a pollution dispersion model is to compare the model predictions with remotely sensed air quality data. A ground-based LIDAR sensor provides relative pollution concentration measurements as a function of space and time. The measured sensor data are compared with the dispersion model output through a numerical estimation procedure to yield parameter estimates which best fit the data. This overall process is tested in a computer simulation to study the effects of various measurement strategies. Such a simulation is useful prior to a field measurement exercise to maximize the information content in the collected data. Parametric studies of simulated data matched to a Gaussian plume dispersion model indicate the trade offs available between estimation accuracy and data acquisition strategy.

Kibler, J. F.↗

Rapid Geometry Creation for Computer-Aided Engineering Parametric Analyses: A Case Study Using ComGeom2 for Launch Abort System Design

ComGeom2, a tool developed to generate Common Geometry representation for multidisciplinary analysis, has been used to create a large set of geometries for use in a design study requiring analysis by two computational codes. This paper describes the process used to generate the large number of configurations and suggests ways to further automate the process and make it more efficient for future studies. The design geometry for this study is the launch abort system of the NASA Crew Launch Vehicle.

Hawke, Veronica↗

Automated Coronal Loop Identification Using Digital Image Processing Techniques

The results of a master thesis project on a study of computer algorithms for automatic identification of optical-thin, 3-dimensional solar coronal loop centers from extreme ultraviolet and X-ray 2-dimensional images will be presented. These center splines are proxies of associated magnetic field lines. The project is pattern recognition problems in which there are no unique shapes or edges and in which photon and detector noise heavily influence the images. The study explores extraction techniques using: (1) linear feature recognition of local patterns (related to the inertia-tensor concept), (2) parametric space via the Hough transform, and (3) topological adaptive contours (snakes) that constrains curvature and continuity as possible candidates for digital loop detection schemes. We have developed synthesized images for the coronal loops to test the various loop identification algorithms. Since the topology of these solar features is dominated by the magnetic field structure, a first-order magnetic field approximation using multiple dipoles provides a priori information in the identification process. Results from both synthesized and solar images will be presented.

Lee, Jong K.↗

A method of classification for multisource data in remote sensing based on interval-valued probabilities

An axiomatic approach to intervalued (IV) probabilities is presented, where the IV probability is defined by a pair of set-theoretic functions which satisfy some pre-specified axioms. On the basis of this approach representation of statistical evidence and combination of multiple bodies of evidence are emphasized. Although IV probabilities provide an innovative means for the representation and combination of evidential information, they make the decision process rather complicated. It entails more intelligent strategies for making decisions. The development of decision rules over IV probabilities is discussed from the viewpoint of statistical pattern recognition. The proposed method, so called evidential reasoning method, is applied to the ground-cover classification of a multisource data set consisting of Multispectral Scanner (MSS) data, Synthetic Aperture Radar (SAR) data, and digital terrain data such as elevation, slope, and aspect. By treating the data sources separately, the method is able to capture both parametric and nonparametric information and to combine them. Then the method is applied to two separate cases of classifying multiband data obtained by a single sensor. In each case a set of multiple sources is obtained by dividing the dimensionally huge data into smaller and more manageable pieces based on the global statistical correlation information. By a divide-and-combine process, the method is able to utilize more features than the conventional maximum likelihood method.

Kim, Hakil↗

Earth System Reanalysis in Support of Climate Model Improvements

Recent climate model developments, established through increased model resolution, have led to substantial improvements in model simulations of the time-evolving, coupled Earth system and its subcomponents. However, regardless of resolution, climate models will always produce climate features and variability that differ from the real world and will be prone to biases. This is due to many remaining uncertainties, such as in parametric and structural model uncertainty, in the initial conditions prescribed, and in the prescribed (scenario) forcing which varies on decadal to centennial timescales. Further model improvements are expected to arise specifically from improved representation of physical processes realized through model-data fusion. This will create an unprecedented opportunity to better exploit a large array of Earth observations, from in situ measurements to weather radars and satellite observations, as the resolved scales of the models approach those of the observations. For this, climate DA will be the central tool to bring models and observations into consistency, by improving initial conditions, inferring uncertain model parameters and structure, and quantifying uncertainty. Generally, there will be advantages and complementarities of adjoint-based smoother approaches, ensemble-based filter approaches, or new ML-inspired approaches. Yet, the ever-increasing model resolution will present growing challenges arising from computational cost, calling for new ways of performing data assimilation and model optimization. Using the complementarity in a hybrid approach, blending tools and concepts from variational, ensemble and ML methods might be what is required in the future. In this context ML could be important to handle non-linear responses, and to better approximate non-Gaussian distributions.

54 ENVIRONMENTAL SCIENCES↗

Aerodynamic Synthesis of a Centrifugal Impeller Using CFD and Measurements

The performance and flow structure in an unshrouded impeller of approximately 4:1 pressure ratio is synthesized on the basis of a detailed analysis of 3D viscous CFD results and aerodynamic measurements. A good data match was obtained between CFD and measurements using laser anemometry and pneumatic probes. This solidified the role of the CFD model as a reliable representation of the impeller internal flow structure and integrated performance. Results are presented showing the loss production and secondary flow structure in the impeller. The results indicate that while the overall impeller efficiency is high, the impeller shroud static pressure recovery potential is underdeveloped leading to a performance degradation in the downstream diffusing element. Thus, a case is made for a follow-on impeller parametric design study to improve the flow quality. A strategy for aerodynamic performance enhancement is outlined and an estimate of the gain in overall impeller efficiency that might be realized through improvements to the relative diffusion process is provided.

Larosiliere, L. M.↗

Leverage Score Sampling for Parametric PDEs (Final Technical Report)

This final technical report summarizes the accomplishments of work performed under DOE Office of Science Award DE-SC0022266, which is titled “Leverage Score Sampling for Parametric PDEs”. The goal of the project was to extend methods from Randomized Numerical Linear Algebra (RandNLA) to tackle central computational challenges in model order reduction and uncertainty quantification (UQ) for parametric partial differential equations (PDEs). In particular, we sought to use importance sampling methods originally developed for RandNLA to develop sample efficient active learning algorithms for approximating high-dimensional scalar functions, e.g. by polynomials, Gaussian process models, and simple neural networks. Such methods can be immediately applied to developing surrogate models or to approximating quantity of interest (QoI) surfaces. In the context of PDEs, each sample used for learning equates to the solution of the differential equation for a particular set of parameters, so sample efficiency translates to improved computational efficiency for a variety of downstream tasks.

97 MATHEMATICS AND COMPUTING↗

A Framework for Parametric and Predictive Uncertainty Quantification in the E3SM Land Model: Assessing Site and Observable Generalizability

Quantifying parametric uncertainty using observations from individual sites provides a critical foundation for Earth system modeling, serving as a necessary first step before scaling up to regional or global applications. This study introduces a novel computational framework designed to enhance model predictability by reducing parametric uncertainty and assessing site and observable generalizability using various observational constraints. The framework integrates five components: Model Simulation, Statistical Emulation, Global Sensitivity Analysis (GSA), Model Calibration, and Model Prediction. Using the E3SM land model, we simulated site-level land-atmosphere carbon and energy fluxes from 2003 to 2007 across five evergreen needleleaf FLUXNET sites, perturbing 26 vegetation-related model parameters. Gaussian process emulators were employed to expedite GSA and model calibration. Four critical parameters that strongly influence selected land-atmosphere fluxes were identified by GSA. Bayesian approaches were used to infer parameter probability distributions leveraging synthetic data and FLUXNET observations. The results reveal that posterior parameter distributions vary significantly across different sites and observables within the same plant functional type. Probabilistic predictions indicate that parameters calibrated at one site can enhance predictive accuracy at other sites, although site heterogeneity may sometimes outweigh parametric uncertainty. Additionally, the probabilistic predictions demonstrate that calibration for one variable can also improve predictability for other variables, thereby maximizing predictive capabilities with limited observations. This framework provides a powerful approach for reducing parametric uncertainty in Earth system models and deepening our understanding of carbon dynamics and energy cycles. Its adaptability makes it a valuable tool for broader applications in Earth system modeling.

54 ENVIRONMENTAL SCIENCES↗

Abridged spectral matrix inversion: parametric fitting of X-ray fluorescence spectra following integrative data reduction

Recent improvements in both X-ray detectors and readout speeds have led to a substantial increase in the volume of X-ray fluorescence data being produced at synchrotron facilities. This in turn results in increased challenges associated with processing and fitting such data, both temporally and computationally. Herein an abridging approach is described that both reduces and partially integrates X-ray fluorescence (XRF) data sets to obtain a fivefold total improvement in processing time with negligible decrease in quality of fitting. The approach is demonstrated using linear least-squares matrix inversion on XRF data with strongly overlapping fluorescent peaks. This approach is applicable to any type of linear algebra based fitting algorithm to fit spectra containing overlapping signals wherein the spectra also contain unimportant (non-characteristic) regions which add little (or no) weight to fitted values, e.g. energy regions in XRF spectra that contain little or no peak information.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗