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NASA NTRS2013

Quantitative Comparison of the Variability in Observed and Simulated Shortwave Reflectance

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) is a climate observation system that has been designed to monitor the Earth's climate with unprecedented absolute radiometric accuracy and SI traceability. Climate Observation System Simulation Experiments (OSSEs) have been generated to simulate CLARREO hyperspectral shortwave imager measurements to help define the measurement characteristics needed for CLARREO to achieve its objectives. To evaluate how well the OSSE-simulated reflectance spectra reproduce the Earth s climate variability at the beginning of the 21st century, we compared the variability of the OSSE reflectance spectra to that of the reflectance spectra measured by the Scanning Imaging Absorption Spectrometer for Atmospheric Cartography (SCIAMACHY). Principal component analysis (PCA) is a multivariate decomposition technique used to represent and study the variability of hyperspectral radiation measurements. Using PCA, between 99.7%and 99.9%of the total variance the OSSE and SCIAMACHY data sets can be explained by subspaces defined by six principal components (PCs). To quantify how much information is shared between the simulated and observed data sets, we spectrally decomposed the intersection of the two data set subspaces. The results from four cases in 2004 showed that the two data sets share eight (January and October) and seven (April and July) dimensions, which correspond to about 99.9% of the total SCIAMACHY variance for each month. The spectral nature of these shared spaces, understood by examining the transformed eigenvectors calculated from the subspace intersections, exhibit similar physical characteristics to the original PCs calculated from each data set, such as water vapor absorption, vegetation reflectance, and cloud reflectance.

Roberts, Yolanda, L.↗

DOE OSTI2022

Human Performance Analysis Depending on Operator Expertise (Student vs. Operator) and Simulator Complexity (Rancor Microworld vs. Compact Nuclear Simulator)

Human reliability analysis (HRA) evaluates human errors and provides human error probabilities (HEPs) for application in probabilistic safety assessment (PSA), which is a comprehensive safety assessment method for nuclear power plants (NPPs). Generally, HRA methods estimate HEPs based on human reliability data collected from actual historical measurement, simulator experiments, or expert judgement. Most recent HRA data collection studies focus on collecting data via full-scope main control room (MCR) simulators with actual licensed reactor operators. Contrary to this, Idaho National Laboratory (INL) has adopted a different approach, which attempts to collect HRA data based on experiment using simplified simulators and student participants by following the Simplified Human Error Experimental Program (SHEEP). This approach has a couple of advantages compared to full-scope data collection. Representatively, it has relatively low entry point for collecting HRA data, and secures large sample sizes with reasonable cost and labor. In the previous studies, we developed the SHEEP framework, then verified whether the data collected through the framework could support a representative full-scope data collection study, i.e., the Human Reliability Data Extraction (HuREX) study. Also, we analyzed human performance measurements depending on participant type (i.e., student vs. operator). In this paper, we analyze human performance data collected from an experiment comparing operator expertise and simulator complexity when using the more simplified simulator developed by INL, i.e., Rancor Microworld and the less simplified simulator, i.e., Compact Nuclear Simulator (CNS) developed by Korea Atomic Energy Research Institute (KAERI). Analysis of variance (ANOVA) tests and correlation analysis are used for analyzing the experimental data.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1983

A summary of NASA/FAA experiments concerning helicopter IFR airworthiness criteria

A sequence of ground and flight simulation experiments was conducted to investigate helicopter instrument-flight-rules airworthiness criteria. The first six of these experiments and major results are summarized. Five of the experiments were conducted on large-amplitude motion base simulators. The NASA-Army V/STOLAND UH-1H variable-stability helicopter was used in the flight experiment. Artificial stability and control augmentation, longitudinal and lateral control, and in pitch and roll attitude augmentation were investigated. Previously announced in STAR as N82-23219

Lebacqz, J. V.↗

DOE OSTI2022

Enhancing $\phi$-sensitivity of ignition delay times through dilution of fuel-air mixture

The high $\phi$-sensitivity (η) of ignition delay time (τ IDT ) is one of the desirable fuel properties for the high-load extension of advanced compression ignition engine. Recent studies revealed the effectiveness of a high dilution rate (x D ) for enhancing η at the engine-relevant conditions. This study aims to quantify the effect of dilution on the η of isooctane using a combined experiment-simulation approach. The ignition delay of the isooctane/air mixture was measured with an Advanced Fuel Ignition Delay Analyzer (AFIDA) over the temperature range of 623 - 923 K at 10 bar pressure with global $\phi$ = 0.3 - 0.6, with and without 28.6% of additional N 2 dilution. For precise evaluation of experimental η, the facility effect of the AFIDA experiment was characterized with three-dimensional computational fluid dynamics (3-D CFD) simulation. The temperature in the combustion chamber from 3-D CFD indicated a substantial temporal dependency, varying up to ~52 K by charge-cooling of fuel injection and heat transfer from the wall. We introduced the dimensionless number θ(t) for characterizing the temporal profile of chamber temperature. Consideration of the facility effect using θ(t) resulted in better agreement between the experimental ..eta.. and zero-dimensional (0-D) kinetics simulation. The refined η were then further utilized to quantify the effectiveness of dilution to η The extent of η enhancement with dilution strategy was maximized at the low-temperature chemistry regime, increasing η by 77% with a 28.6% dilution rate. Further analysis on the dilution effect was carried out using 0-D kinetics simulation, revealing the critical dimensionless numbers relevant to the effectiveness of dilution to η enhancement. Here, this study is the first experiment-simulation combined research to quantify the effect of dilution on η, facilitating the kinetics model refinement for better reproduction of $\phi$-sensitivity.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRSDate not supplied

Progress in Simulated Water Well Performance on Mars

Recent studies of human Mars missions considered the impacts of an abundant supply of in-situ, accessible water on these mission scenarios. Discovery of exposed water ice scarps in Martian mid-latitudes has bolstered the evidence for massive amounts of almost pure water in buried deposits in regions considered candidates for these future human missions. This paper describes progress towards adapting a long-standing terrestrial technique for accessing and extracting water from these mid-latitude sources of ice. This approach relies on mechanical drills to access the ice through overlying debris. Once the ice layer has been reached, a technique known as a Rodriguez Well, or Rodwell, is used to melt the ice, store the resulting water in a subsurface cavity until needed, and then pump the water to the surface for use. Previous work by the authors utilized a computer simulation to predict the performance of a Martian Rodwell. This simulation was originally developed to predict performance in terrestrial Polar Regions. Whereas the basic approach is appropriate for a similar well on Mars, several parameters had been empirically derived and required experiments simulating the Martian environment to determine the values appropriate for a Martian Rodwell simulation. These experiments have now been completed and preliminary values have been determined for the empirical parameters. Test results are consistent with a dimensionless Sh(Ra) correlation developed by Bower and Saylor (2009) and based on lab tests of water evaporating from a pool into a large air chamber. They are also consistent with correlations derived by Ingersoll (1970) and by Hecht (2002), based on natural-convection heat transfer. Each of these earlier correlations found Sh~Ra1/3, with the 1/3rd power characteristic of large Ra where the boundary layer over the pool surface is turbulent. A somewhat surprising result was that this power-law was found to extend into a range of Ra where laminar flow would be expected. Another surprising result was found in that instead of following established correlations for natural-convection heat transfer over flat plates, the dimensionless heat-transfer rates (Nu) were much larger and approximately independent of Ra. This suggests that mass transfer from the pool enhances convective heat transfer, possibly by enhanced mixing in the boundary layer. Although this possibility has been suggested in the literature, if it is proven to be true under these conditions it could play an important role in the use of a Rodwell on Mars, where evaporative mass transfer is enhanced relative to terrestrial wells.

Human Mars Mission↗

NASA NTRS1977

The July climate and a comparison of the January and July climates simulated by the GISS general circulation model

Results are presented for a study directed to evaluate the ability of the global general circulation model of the Goddard Institute for Space Studies (GISS) in simulating seasonal differences as related to an experiment simulating the July climatology which parallels the January simulation presented by Somerville et al. (1974). The July and January simulations are compared with each other and with climatological data on seasonal changes, mainly for the Northern Hemisphere troposphere. The comparison shows that the model-generated energy cycle, distribution of winds, temperature, humidity and pressure, dynamical transports, diabatic heating, evaporation, precipitation and cloud cover are all realistic for the Northern Hemisphere troposphere in July. The model's simulation of seasonal differences is generally quite realistic since the systematic quantitative errors do not affect the simulation of relative changes, to first order. Defects that could seriously bias the model's performance in particular climate experiments are identified and discussed.

Stone, P. H.↗

DOE OSTI2024

Elucidating the formation mechanisms of zeolites using data-driven modelling and in-situ characterization

Zeolites are the main solid catalysts used by the chemical industry. The use of zeolites in separations and as shape selective catalysts requires control of the width and connectivity of their pores. 235 distinct zeolite frameworks have been synthesized to date, of over 2 million that have been proposed. Recent work indicates that the limitation is in large part kinetic: new synthetic pathways are required to access new zeolites. Organic cations are used to direct the synthesis towards specific zeolites. However, the molecular mechanisms by which cations direct the nucleation towards specific zeolites is not known. Elucidating these mechanisms is key to realize new zeolites for catalysis and separations, and is the focus of this project. This project developed and implemented a synergistic, data-driven computational and experimental approach to resolve the molecular pathways of nucleation, growth, and polymorph selection of zeolites and the role of organic cations in directing their formation. The project developed computationally efficient and accurate models for the study of the nucleation and growth of pure silica zeolites in molecular simulations, using machine learning with data from experiments. Simulations with these models were integrated with scanning tunneling electron microscopy, computer vision, and deep learning to unveil the molecular pathways of formation of a zeolite. Of particular interest in this project was to elucidate the role of amorphous precursors in the nucleation of the zeolite. Previous experiments indicate that zeolites are born within non-crystalline aggregates in which the silicates and organic cations have local and medium range order similar to that of the zeolite. The organic cations that direct the formation of zeolites and those that direct the formation of ordered mesoporous silicas are similar. We hypothesized that the frustrated attraction that for large organic cations leads to the formation of stable mesophases that direct the synthesis of mesoporous silicas, could promote the formation of metastable mesophases that can assist in the nucleation and polymorph selection of zeolites. The simulations resolved how structure directing agents build crystalline order and showed that mesoscopic pre-ordering occurs is not required to facilitate the nucleation of zeolites, because the synthesis occurs at high driving forces, where the barriers for nucleation are negligible. This project unveiled that polymorph selection in zeolite synthesis occurs after nucleation, opening a distinct area of control through the kinetics of growth and not through nucleation barriers.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Ground-simulation investigations of VTOL airworthiness criteria for terminal-area operations

Several ground-based simulation experiments undertaken to investigate concerns related to tilt-rotor aircraft airworthiness were conducted. The experiments were conducted on the National Aeronautics and Space Administration (NASA) Ames Research Center's Vertical Motion Simulator, which permits simulation of a wide variety of aircraft with a high degree of fidelity of motion cueing. Variations in conversion/deceleration profile, type of augmentation or automation, level of display assistance, and meteorological conditions were considered in the course of the experiments. Certification pilots from the Federal Aviation Administration (FAA) and the Civil Aviation Authority (CAA) participated, in addition to NASA research pilots. The setup of these experiments on the simulator is summarized, and some of the results highlighted.

Lebacqz, J. V.↗

NASA NTRSDate not supplied

TPSAS-NF1676L-18074-DND

Motivations - Radiative Transfer (RT) model is a component in satellite remote sensing (Observation System Simulation Experiment, sensor performance end-to-end simulations or sensitivity studies, and retrieval and data assimilations); - Line-by-line RT model is too slow, over a million RT needed to cover infrared spectral region; - Traditional Channel-based RT models deal with one channel at a time. Modern sensors have thousands of channels and 0.1-1 million spectra per day, only 4-10% of data are used in satellite data assimilations (too slow for climate OSSE). It is essential to have a RT model: - Accurate and fast - Works in all spectral regions - Includes as accurate physics as possible - Takes advantage of spectral correlations - Can handle cloud and aerosols PCRTM (Principal Component-based Radiative Transfer model) was developed to satisfy the need listed above.

Xu Liu↗

NASA NTRS2021

Quantifying the Observational Requirements of a Space-borne LiDAR Snow Mission

This study quantifies the level of observational accuracy required from a spaceborne light detection and ranging (LiDAR) snow depth retrieval mission for enabling beneficial impacts for snow estimation. The study is conducted over a region in Western Colorado using a suite of observing system simulation experiments(OSSEs).The Joint UK Land Environment Simulator, version 5.0 (JULES v5.0) is employed to simulate a suite of idealized LiDAR observations, considering a range of LiDAR snow depth retrieval errors, different hypothetical sensor swath widths, and the impact of cloud cover on observability. These simulated observations are then assimilated into the Noah land surface modelwith multi-parameterization options, version 3.6 (Noah-MP v3.6) model. This data assimilation setup is used to systematically evaluate the potential utility of LiDAR observations for improving modeled snow water equivalent (SWE)estimates and water budget variables such as runoff. Results from the OSSE runsshow that, in general, assimilation of synthetic LiDAR observations provide beneficial impacts when theLiDAR snow depth retrieval error standard deviation (σerror) is below 60 cm.Based on comparisons between the realistic (i.e., swath-limited and cloud-attenuated) case and the idealized (i.e., infinite swath width in the absence of cloud cover) case,this study concludes that observations with a conservative error standard deviation threshold of 40 cm (i.e., upper limit of the snow depth retrieval error that adds value to the SWE estimates viaassimilation) are needed for improving modeled snow estimates. More than a 33% reduction in SWEroot mean square errors and more than a 15% increase in correlation coefficientsare achieved when σ error ≤ 40 cmusing a 170-km sensor swath width in the presence of cloud attenuation effects. Further, the integrated hydrologic response, as represented by total (surface and subsurface) runoff estimates during the snow ablation season, are also enhanced when assimilating synthetic LiDAR snow depth retrievals with errors below this level.

Yonghwan Kwon↗

DOE OSTI2020

Progress on Understanding Rayleigh–Taylor Flow and Mixing Using Synergy Between Simulation, Modeling, and Experiment

Simultaneous advances in numerical methods and computing, theoretical techniques, and experimental diagnostics have all led independently to better understanding of Rayleigh–Taylor (RT) instability, turbulence, and mixing. In particular, experiments have provided significant motivation for many simulation and modeling studies, as well as validation data. Numerical simulations have also provided data that is not currently measurable or very difficult to measure accurately in RT unstable flows. Thus, simulations have also motivated new measurements in this class of buoyancy-driven flows. This overview discusses simulation and modeling studies synergistic with experiments and examples of how experiments have motivated simulations and models of RT instability, flow, and mixing. First, a brief summary of measured experimental and calculated simulation quantities, of experimental approaches, and of issues and challenges in the simulation and modeling of RT experiments is presented. Implicit large-eddy, direct numerical, and large-eddy simulations validated using RT experimental data are then discussed. This is followed by a discussion of modeling using analytical, modal, buoyancy–drag, and turbulent transport models of RT mixing experiments. The discussion will focus on three-dimensional RT mixing arising from multimode perturbations. Finally, this focused review concludes with a perspective on future simulation, modeling, and experimental directions for further research. Research in simulation and modeling of RT unstable flows, coupled with experiments, has made significant progress over the past several decades. This overview serves as an opportunity to both discuss progress and to stimulate future research on simulation and modeling of this unique class of hydrodynamically unstable turbulent flows.

42 ENGINEERING↗

NASA NTRS1992

Advanced ISDN satellite designs and experiments

The research performed by GTE Government Systems and the University of Colorado in support of the NASA Satellite Communications Applications Research (SCAR) Program is summarized. Two levels of research were undertaken. The first dealt with providing interim services Integrated Services Digital Network (ISDN) satellite (ISIS) capabilities that accented basic rate ISDN with a ground control similar to that of the Advanced Communications Technology Satellite (ACTS). The ISIS Network Model development represents satellite systems like the ACTS orbiting switch. The ultimate aim is to move these ACTS ground control functions on-board the next generation of ISDN communications satellite to provide full-service ISDN satellite (FSIS) capabilities. The technical and operational parameters for the advanced ISDN communications satellite design are obtainable from the simulation of ISIS and FSIS engineering software models of the major subsystems of the ISDN communications satellite architecture. Discrete event simulation experiments would generate data for analysis against NASA SCAR performance measure and the data obtained from the ISDN satellite terminal adapter hardware (ISTA) experiments, also developed in the program. The Basic and Option 1 phases of the program are also described and include the following: literature search, traffic mode, network model, scenario specifications, performance measures definitions, hardware experiment design, hardware experiment development, simulator design, and simulator development.

Pepin, Gerard R.↗

NASA NTRS2000

High-Speed Research Surveillance Symbology Assessment Experiment

Ten pilots flew multiple approach and departure scenarios in a simulation experiment of the High-Speed Civil Transport to evaluate the utility of different airborne surveillance display concepts. The primary eXternal Visibility System (XVS) display and the Navigation Display (ND) were used to present tactical and strategic surveillance information, respectively, to the pilot. Three sensors, the Traffic Alert and Collision Avoidance System, radar, and the Automatic Dependent Surveillance-Broadcast system, were modeled for this simulation and the sensors surveillance information was presented in two different symbology sets to the pilot. One surveillance symbology set used unique symbol shapes to differentiate among the sensors, while the other set used common symbol shapes for the sensors. Surveillance information in the form of escape guidance from threatening traffic was also presented to the pilots. The surveillance information (sensors and escape guidance) was either presented head-up on the primary XVS display and head-down on the ND or head-down on the ND only. Both objective and subjective results demonstrated that the display concepts having surveillance information presented head-up and head-down have surveillance performance benefits over those concepts having surveillance information displayed head-down only. No significant symbology set differences were found for surveillance task performance.

Kramer, Lynda J.↗

DOE OSTI2022

Mechanism for Acetone and Crotonaldehyde Production during Steam Reforming of Ethanol over La 0.7 Sr 0.3 MnO 3–x Perovskite: Evidence for a Shared C4 Aldol Addition Intermediate

Here a mechanistic study was conducted on the catalytic conversion of ethanol over La 0.7 Sr 0.3 MnO 3–x perovskite catalysts in the presence and absence of water. The study sought insights into the path of C–C coupling toward acetone and crotonaldehyde and also into clarifying whether the lack of previous reports of C–C coupling over La 0.7 Sr 0.3 MnO 3–x (100) could be due to a “pressure gap”. Several types of experiments were performed at 400–800 K: flow experiments with a torr range reactant gas flown over La 0.7 Sr 0.3 MnO 3–x powders; ultra-high vacuum experiments with continuous gas exposures to a La 0.7 Sr 0.3 MnO 3–x (100) single-crystal sample; and torr range continuous gas exposures to a La 0.7 Sr 0.3 MnO 3–x (100) single-crystal sample. When ethanol and water were flown over La 0.7 Sr 0.3 MnO 3–x powders at 400–800 K, the products detected were ethene, acetaldehyde, acetone, crotonaldehyde, CO, CO 2 , and H 2 . Acetone was catalytically produced over both the La 0.7 Sr 0.3 MnO 3–x powder and the La 0.7 Sr 0.3 MnO 3–x (100) single-crystal sample at temperatures of 700–800 K when reaction conditions were on the order of 1 Torr of reactant gas and with an excess of water relative to ethanol (1 ethanol/9 water). Isotopic labeling with deuterium was used to gain insights into the C–C coupling reaction mechanism and paths in species with three and four carbons (C 3 and C 4 species). Additionally, steady-state isotopic transient kinetic analysis (SSITKA) experiments + simulations using carbon labeling of the ethanol feed were performed. Three mechanistic paths were considered for the C–C coupling step: the first two paths, A and B, involve coupling between two intermediates which are both in oxygen vacancies; and the third path, C, involves coupling between one intermediate in an oxygen vacancy and one intermediate outside of an oxygen vacancy. The results suggest that the dominant path to the C 3 product, acetone, depends on the conditions. The less active path (attributed to path A or B) occurs at 600–700 K and involves coupling between two irreversibly bound species. The more active path (attributed to path C) requires an excess of water, becomes dominant at 600–800 K, and involves coupling between one irreversibly bound species and one reversibly bound species. Based on these various observations from experiments and simulations, an elementary step is proposed for acetone formation involving a previously unreported C 4 transition state that is formed after aldol addition. Density functional theory calculations were performed based on this hypothesis, and it confirmed that this specific and previously unreported aldol addition path to acetone does exist and that this path consistent with the experimental data. In this path, C–C formation occurs to create a C 4 intermediate that is bound to an oxygen vacancy, then a hydrogen transfer with C–C bond breaking occurs that results in the production of the acetone molecule. The proposed mechanism is also consistent with the experimental observation that acetone formation has a greater than first-order dependence on the water vapor pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Practical Understanding of Cancer Model Identifiability in Clinical Applications

Mathematical models are a core component in the foundation of cancer theory and have been developed as clinical tools in precision medicine. Modeling studies for clinical applications often assume an individual’s characteristics can be represented as parameters in a model and are used to explain, predict, and optimize treatment outcomes. However, this approach relies on the identifiability of the underlying mathematical models. In this study, we build on the framework of an observing-system simulation experiment to study the identifiability of several models of cancer growth, focusing on the prognostic parameters of each model. Our results demonstrate that the frequency of data collection, the types of data, such as cancer proxy, and the accuracy of measurements all play crucial roles in determining the identifiability of the model. We also found that highly accurate data can allow for reasonably accurate estimates of some parameters, which may be the key to achieving model identifiability in practice. As more complex models required more data for identification, our results support the idea of using models with a clear mechanism that tracks disease progression in clinical settings. For such a model, the subset of model parameters associated with disease progression naturally minimizes the required data for model identifiability.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Multi-fidelity equations of state and transport coefficient datasets for pulsed-power applications

Reliably simulating experiments relevant to the National Nuclear Security Administration (NNSA) requires a detailed description of material properties across a wide range of conditions. Such properties include the equations of state, charged-particle transport coefficients, and optical properties like the opacity. Together, these properties make up the material models used in radiation-magnetohydrodynamic simulations of nuclear fusion experiments. Many of these models do not incorporate uncertainties in the data used to produce them. It is unknown whether these uncertainties significantly impact the interpretation of simulation results and diagnostics. The purpose of this work is to quantify how such uncertainties impact simulations of pulsed-power experiments. We accomplished this task by first assessing discrepancies between approaches used to generate the data. This included bringing together members of the high-energy-density community spanning the three NNSA laboratories and multiple universities. Then, using these data, we developed a general framework that systematically incorporates physical uncertainties within the material models suitable for uncertainty quantification analyses. The framework utilizes machine learning, Bayesian inference, and incorporates multi-fidelity datasets. We demonstrated the framework by quantifying the impact that material model uncertainties have on simulations of pulsed-power experiments underway on Z at Sandia National Laboratories. As a result of this work, we discovered that modest uncertainties in material models (roughly 20%) correspond to significant uncertainties in the outputs from simulations. Our framework has enabled rapid construction of material models through an automated procedure and allows for the generation of material models of interest to the NNSA.

36 MATERIALS SCIENCE↗

NASA NTRS2019

Motion Cueing for Stall Recovery Training in Commercial Transport Simulators

Starting in 2019, airline pilots will be required to perform full stall recovery training in flight simulators. Historically, training simulators weren't required to provide training at conditions outside their normal flight envelope. Post-stall aircraft models are generally required to be implemented to simulate the aircraft response after the stall point. In addition, motion cues need to adequately represent this response to ensure the skills learned in simulator training are directly usable in real flight. This paper provides and overview of six simulator experiments conducted at NASA Ames Research Center to develop a motion cueing strategies for stall recovery training in commercial transport simulators. One of the experiments verified an enhanced motion cueing strategy for stall recovery training on a level-D-certified full flight simulator. This study showed that the enhanced motion results in lower maximum roll angles in the stall maneuver, lower minimum load factors in the recovery, lower numbers of secondary stick shakers in the stall recovery, and a lower maximum airspeed in the recovery. These results indicate that relatively minor enhancements to the motion logic of heritage commercial transport simulators can significantly improve pilot performance in simulated stall recoveries, and potentially improve stall recovery training.

stall recovery↗

NASA NTRS2019

Motion Cueing for Stall Recovery Training in Commercial Transport Simulators

stall recovery↗