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At least 217 records · Page 12

Identifying Human Factors Issues in Aircraft Maintenance Operations

Maintenance operations incidents submitted to the Aviation Safety Reporting System (ASRS) between 1986-1992 were systematically analyzed in order to identify issues relevant to human factors and crew coordination. This exploratory analysis involved 95 ASRS reports which represented a wide range of maintenance incidents. The reports were coded and analyzed according to the type of error (e.g, wrong part, procedural error, non-procedural error), contributing factors (e.g., individual, within-team, cross-team, procedure, tools), result of the error (e.g., aircraft damage or not) as well as the operational impact (e.g., aircraft flown to destination, air return, delay at gate). The main findings indicate that procedural errors were most common (48.4%) and that individual and team actions contributed to the errors in more than 50% of the cases. As for operational results, most errors were either corrected after landing at the destination (51.6%) or required the flight crew to stop enroute (29.5%). Interactions among these variables are also discussed. This analysis is a first step toward developing a taxonomy of crew coordination problems in maintenance. By understanding what variables are important and how they are interrelated, we may develop intervention strategies that are better tailored to the human factor issues involved.

Veinott, Elizabeth S.↗

Ice storage model-predictive control in an office building with PV: scenario, error and sensitivity analysis

Thermal energy storage (TES) can enable more building-sited renewable electricity generation and lower utility bill costs for buildings owners and occupants, especially when there are high demand and variable time-of-use (TOU) charges. A model predictive control (MPC) strategy can offer additional savings over a schedule-based control with added complexity and reliance on forecasts. Here, this study examines savings for medium office buildings with chiller plants in three locations with building-installed solar photovoltaics (PV) to understand the impact of MPC. Control setpoints are fixed by a schedule-based control or optimized by nonlinear MPC. These control setpoints are actuated within EnergyPlus building models to simulate the utility cost of the chiller plant. NLP solutions can be unstable or unrealistic, but our results show that by regularizing the NLP, the solutions can be reasonably followed by the building model. MPC models make simplifications that lead to errors once the controller is participating in and changing the operation of the building. These errors average 9 % across the cases, showing that the most important parts of the system are represented. The no-thermal load costs are computed to show that the optimization can in some cases achieve both the minimum TOU and minimum monthly demand costs by demand management while reducing TOU energy costs by energy arbitrage. The MPC saves 35–66 % in the annual chiller plant operating costs, which is an additional savings above the schedule by 1–33 %. PV and TES are complementary and mostly independent, but a load with PV often results in better performance for the schedule. Our case study and sensitivity analysis show the importance of modeling and optimization for complex rates, but also the circumstances wherein a simpler strategy achieves the same performance with less potential for error.

14 SOLAR ENERGY↗

Error Propagation in a System Model

Embodiments of the present subject matter can enable the analysis of signal value errors for system models. In an example, signal value errors can be propagated through the functional blocks of a system model to analyze possible effects as the signal value errors impact incident functional blocks. This propagation of the errors can be applicable to many models of computation including avionics models, synchronous data flow, and Kahn process networks.

Schloegel, Kirk↗

Expanding Our Understanding of What Constitutes a Safety-Relevant Occurrence

Focusing on undesired operator behaviors is pervasive in system design and safety management cultures. This focus limits the data that are collected, the questions that are asked during data analysis, and therefore our understanding of what operators do in everyday work. Human performance represents a significant source of safety data that includes both desired and undesired actions. When safety is characterized only in terms of errors and failures, the vast majority of human impacts on system safety and performance are ignored. The outcomes of safety data analyses dictate what is learned from those data, which in turn informs safety policies and safety-related decision making. When learning opportunities are systematically restricted by focusing only on rare failure events, not only do we learn less (and less often), but we can draw misleading conclusions by relying on a non-representative sample of human performance data. The study of human contributions to safety represents a vast and largely unexplored opportunity to learn. Changes in how we define and think about safety can highlight new opportunities for collection and analysis of safety-relevant data. Developing an integrated safety picture to better inform system design, safety-related decision making and policies depends upon identifying, collecting, and interpreting safety producing behaviors in addition to safety reducing behaviors.

Jon B Holbrook↗

Comparative analysis of operational forecasts versus actual weather conditions in airline flight planning, volume 4

The impact of more timely and accurate weather data on airline flight planning with the emphasis on fuel savings is studied. This volume of the report discusses the results of Task 4 of the four major tasks included in the study. Task 4 uses flight plan segment wind and temperature differences as indicators of dates and geographic areas for which significant forecast errors may have occurred. An in-depth analysis is then conducted for the days identified. The analysis show that significant errors occur in the operational forecast on 15 of the 33 arbitrarily selected days included in the study. Wind speeds in an area of maximum winds are underestimated by at least 20 to 25 kts. on 14 of these days. The analysis also show that there is a tendency to repeat the same forecast errors from prog to prog. Also, some perceived forecast errors from the flight plan comparisons could not be verified by visual inspection of the corresponding National Meteorological Center forecast and analyses charts, and it is likely that they are the result of weather data interpolation techniques or some other data processing procedure in the airlines' flight planning systems.

Keitz, J. F.↗

Assessing the predictive impact of factor fixing with an adaptive uncertainty-based approach .

Despite widespread use of factor fixing in environmental modeling, its effect on model predictions has received little attention and is instead commonly presumed to be negligible. We propose a proof-of-concept adaptive method for systematically investigating the impact of factor fixing. The method uses Global Sensitivity Analysis methods to identify groups of sensitive parameters, then quantifies which groups can be safely fixed at nominal values without exceeding a maximum acceptable error, demonstrated using the 21-dimensional Sobol’ G-function. Furthermore, three error measures are considered for quantities of interest, namely Relative Mean Absolute Error, Pearson Product-Moment Correlation and Relative Variance. Results demonstrate that factor fixing may cause large errors in the model results unexpectedly, when preliminary analysis suggests otherwise, and that the default value selected affects the number of factors to fix. To improve the applicability and methodological development of factor fixing, a new research agenda encompassing five opportunities is discussed for further attention.

54 ENVIRONMENTAL SCIENCES↗

Evaluation and use of TOVS retrievals at NMC

In a current analysis procedure at the National Meteorological Center (NMC), a first guess analysis (from the latest 6 or 12 hour forecast) is updated by new data. In the newest analysis procedures, which are based on optimum interpolation, the observational correction depends on the size of preassigned, expected observational errors versus the size of expected errors in the first guess forecast. In the case of Northern Hemisphere ocean temperatures, the latter are around 2 degrees. The infrared satellite retrievals have a similar size "error". If (as assumed) their errors are uncorrelated with the first guess error, they will improve the analysis. The larger errors of the microwave retrievals, however, mean that they will be given little weight in the analysis. An evaluation of the TIROS-N retrievals is currently underway at NMC to determine the impact of satellite derived data within operational analysis schemes, to isolate possible problems within current retrieval methods, and to offer possible solutions for these problems.

Phillips, N. A.↗

Optical analysis of the star-tracker telescope for Gravity Probe

A ray tracing modeling of the star tracker telescope for Gravity Probe was used to predict the character of the output signal and its sensitivity to fabrication errors. In particular, the impact of the optical subsystem on the requirement of 1 milliarc second signal linearity over a + or - 50 milliarc second range was examined. Photomultiplier and solid state detector options were considered. Recommendations are made.

Zissa, D. E.↗

On Simulating the Impacts of Open Water Bodies on the SMAP Passive Soil Moisture Data Product

The Soil Moisture Active and Passive (SMAP) mission is a NASA earth science mission aiming at improving our understanding of the dynamics of the cycles of energy, water, and carbon at global scales. The mission features two complementary sensors on the same low-Earth orbiting platform: an L-band synthetic aperture radar (SAR) operating at 1.26 GHz and an L-band radiometer operating at 1.41 GHz. Together these instruments will provide global mapping of soil moisture and freeze/thaw states in 2-3 days, with a tentative launch date in 2014. The work reported in this study focuses primarily on the development of the SMAP radiometer-only soil moisture data product. For passive soil moisture retrieval at satellite footprint scales, one way to improve retrieval accuracy is to correct for the microwave emission from open water bodies prior to retrieval. The accuracy of this correction will depend on not only the locations of these water bodies, but also the geolocation accuracy of the instrument. As perfect knowledge is never attainable in practice, it is important to assess the impacts of these uncertainties on the SMAP radiometer observations and hence the passive soil moisture retrieval accuracy. In this presentation, we present the results of our preliminary assessment on the impacts of these uncertainties. Our study consists of two parts: (1) a sensitivity analysis on the SMAP radiometer observations due to uncertainties in water-body classification, and (2) realistic global simulations that take into account of additional uncertainties (e.g., geolocation and ancillary data) and SMAP-specific instrument characteristics (e.g., orbit sampling and antenna pattern). The results will provide valuable prelaunch guidance to the SMAP team in identifying different error sources and their relative impacts on the passive soil moisture data product.

Chan, Steven↗

Observations of Global and Regional Ionospheric Irregularities and Scintillation Using GNSS Tracking Networks

The rate of TEC index (ROTI) is a measurement that characterizes ionospheric irregularities. It can be obtained from standard GNSS dual-frequency phase data collected using a geodetic type of GNSS receiver. By processing GPS data from ground-based networks of International GNSS Service and Continuously Operating Reference Station (CORS), ROTI maps have been produced to observe global and regional scintillation activities. A major mid-latitude scintillation event in the contiguous United States is reported here that was captured in ROTI maps produced using CORS GPS data collected during a space weather storm. The analyses conducted in this work and previously by another group indicate that ROTI is a good occurrence indicator of both amplitude and phase scintillations of GPS L-band signals, even though the magnitudes of ROTI, S4, and sigma(sub phi) can be different. For example, our analysis indicates that prominent ROTI and the L1 phase scintillation (sigma(sub phi)) are well correlated temporally in the polar region while L1 amplitude scintillation rarely occurs. The differences are partially attributed to physics processes in different latitude regions, such as high-speed plasma convection in the polar region that can suppress the amplitude scintillation. An analysis of the impact of ionospheric scintillation on precise positioning, which requires use of dual-frequency phase data, is also conducted. The results indicate that significant (more than an order of magnitude) positioning errors can occur under phase scintillation conditions.

ionospheric measurements↗

Assimilation of AERONET and MODIS AOT Observations Using Variational and Ensemble Data Assimilation Methods and Its Impact on Aerosol Forecasting Skill

Data assimilation of Aerosol Robotic Network (AERONET) and Moderate Resolution Imaging Spectroradiometer (MODIS) aerosol optical thickness (AOT) for aerosol forecasting was tested within the Navy Aerosol Analysis Prediction System (NAAPS) framework, using variational and ensemble data assimilation methods. Navy aerosol forecasting currently makes use of a deterministic NAAPS simulation coupled to Navy Variational Data Assimilation System for aerosol optical depth, a two-dimensional variational data assimilation system, for MODIS AOT assimilation. An ensemble version of NAAPS (ENAAPS) coupled to an ensemble adjustment Kalman filter (EAKF) from the Data Assimilation Research Testbed was recently developed, allowing for a range of data assimilation and forecasting experiments to be run with deterministic NAAPS and ENAAPS. The main findings are that the EAKF, with its flow-dependent error covariances, makes better use of sparse observations such as AERONET AOT. Assimilating individual AERONET observations in the two-dimensional variational system can increase the analysis errors when observations are located in high AOT gradient regions. By including AERONET with MODIS AOT assimilation, the magnitudes of peak aerosol events (AOT> 1) were better captured with improved temporal variability, especially in India and Asia where aerosol prediction is a challenge. Assimilating AERONET AOT with MODIS had little impact on the 24 h forecast skill compared to MODIS assimilation only, but differences were found downwind of AERONET sites. The 24 h forecast skill was approximately the same for forecasts initialized with analyses from AERONET AOT assimilation alone compared to MODIS assimilation, particularly in regions where the AERONET network is dense; including the United States and Europe, indicating that AERONET could serve as a backup observation network for over-land synoptic-scale aerosol events.

Rubin, Juli I.↗

Observation of Absorbing Aerosols Above Clouds over the South-East Atlantic Ocean from the Geostationary Satellite SEVIRI – Part 1: Method Description and Sensitivity

High temporal resolution observations from satellites have a great potential for studying the impact of biomass burning aerosols and clouds over the South East Atlantic Ocean (SEAO). This paper presents a method developed to retrieve simultaneously aerosol and cloud properties in aerosol above cloud conditions from the geostationary instrument Meteosat Second Generation/Spinning Enhanced Visible and Infrared Imager (MSG/SEVIRI). The above-cloud Aerosol Optical Thickness (AOT), the Cloud Optical Thickness (COT) and the Cloud droplet Effective Radius (CER) are derived from the spectral contrast and the magnitude of the signal measured in three channels in the visible to shortwave infrared region. The impact of the absorption from atmospheric gases on the satellite signal is corrected by applying transmittances calculated using the water vapour profiles from a Met Office forecast model. The sensitivity analysis shows that a 10% error on the humidity profile leads to an 18.5% bias on the above-cloud AOT, which highlights the importance of an accurate atmospheric correction scheme. In situ measurements from the CLARIFY-2017 airborne field campaign are used to constrain the aerosol size distribution and refractive index that is assumed for the aforementioned retrieval algorithm. The sensitivities in the retrieved AOT, COT and CER to the aerosol model assumptions are assessed. Between 09:00-15:00 UTC, an uncertainty of 40% is estimated on the above-cloud AOT, which is dominated by the sensitivity of the retrieval to the single scattering albedo. The absorption AOT is less sensitive to the aerosol assumptions with an uncertainty generally lower than 17% between 09:00-15:00 UTC. Outside of that time range, as the scattering angle decreases, the sensitivity of the AOT and the absorption AOT to the aerosol model increases. The retrieved cloud properties are only weakly sensitive to the aerosol model assumptions throughout the day, with biases lower than 6% on the COT and 3% on the CER. The stability of the retrieval over time is analysed. For observations outside of the backscattering glory region, the time-series of the aerosol and cloud properties are physically consistent, which confirms the ability of the retrieval to monitor the temporal evolution of aerosol above cloud events over the SEAO.

Peers, Fanny↗

Observation of absorbing aerosols above clouds over the south-east Atlantic Ocean from the geostationary satellite SEVIRI – Part 1: Method description and sensitivity

High-temporal-resolution observations from satellites have a great potential for studying the impact of biomass burning aerosols and clouds over the south-east Atlantic Ocean (SEAO). This paper presents a method developed to simultaneously retrieve aerosol and cloud properties in aerosol above-cloud conditions from the geostationary instrument Meteosat Second Generation/Spinning Enhanced Visible and Infrared Imager (MSG/SEVIRI). The above-cloud aerosol optical thickness (AOT), the cloud optical thickness (COT) and the cloud droplet effective radius (CER) are derived from the spectral contrast and the magnitude of the signal measured in three channels in the visible to shortwave infrared region. The impact of the absorption from atmospheric gases on the satellite signal is corrected by applying transmittances calculated using the water vapour profiles from a Met Office forecast model. The sensitivity analysis shows that a 10 % error on the humidity profile leads to an 18.5 % bias on the above-cloud AOT, which highlights the importance of an accurate atmospheric correction scheme. In situ measurements from the CLARIFY-2017 airborne field campaign are used to constrain the aerosol size distribution and refractive index that is assumed for the aforementioned retrieval algorithm. The sensitivities in the retrieved AOT, COT and CER to the aerosol model assumptions are assessed. Between 09:00 and 15:00 UTC, an uncertainty of 40 % is estimated on the above-cloud AOT, which is dominated by the sensitivity of the retrieval to the single-scattering albedo. The absorption AOT is less sensitive to the aerosol assumptions with an uncertainty generally lower than 17 % between 09:00 and 15:00 UTC. Outside of that time range, as the scattering angle decreases, the sensitivity of the AOT and the absorption AOT to the aerosol model increases. The retrieved cloud properties are only weakly sensitive to the aerosol model assumptions throughout the day, with biases lower than 6 % on the COT and 3 % on the CER. The stability of the retrieval over time is analysed. For observations outside of the backscattering glory region, the time series of the aerosol and cloud properties are physically consistent, which confirms the ability of the retrieval to monitor the temporal evolution of aerosol above-cloud events over the SEAO.

cloud properties↗

Assimilation of SMAP Observations Over Land Improves the Simulation and Prediction of Tropical Cyclone Idai

This work is focused on the role of soil moisture in the prediction of tropical cyclones (TCs) approaching land and after landfall. Soil moisture conditions can impact the circulation and structure of an existing tropical cyclone (TC) when part or all of the circulation is over land. For example, dry land surface conditions may lead to faster dissipation of a TC over land (often associated with changes in precipitation structure), whereas very wet conditions may help sustain or in rare cases re-intensify a TC. Moreover, the presence of strong soil moisture gradients may affect the symmetry and development of the TC circulation leading to changes in its over-land track. While the link between soil moisture conditions and TC evolution in proximity to land is relatively well understood in theory, applications of these findings in the context of numerical weather prediction (NWP) have been limited. Here we present a case study that explores the potential of improving TC predictions through an improved soil moisture initialization in an NWP framework. Specifically, we examine the impact of assimilating observations from the NASA Soil Moisture Active Passive (SMAP) mission into the NASA Goddard Earth Observing System (GEOS) global weather model on the prediction of South-West Indian Ocean TC Idai (2019). SMAP provides accurate L-band (1.4 GHz) brightness temperatures (Tb) observations that are sensitive to soil moisture globally and at high revisit times of 2-3 days. It has previously been shown that the assimilation of SMAP Tb observations significantly improves modeled land surface states. Thus, it is expected that SMAP can be used to constrain land surface initial conditions and potentially benefit TC forecasts. Here we present two sets of retrospective forecasts of TC Idai that are compared in an Observing System Experiment framework at ¼ degree resolution: (i) forecasts initialized from an analysis that is comparable to the GEOS operational analysis (without SMAP Tb assimilation) and (ii) forecasts initialized from an analysis that additionally assimilates SMAP brightness temperature observations over land using a weakly-coupled land analysis. We find that the assimilation of SMAP meaningfully improves the representation of TC Idai’s structure as well as the prediction of its intensity and track. The analyzed TC size, as measured by the wind speed radius, is improved by up to 18% in the analysis with SMAP assimilation relative to the control run. The forecast intensity error, measured against the observed intensity, is reduced by up to 23%. At the 1/4-degree resolution used here, GEOS unavoidably under-estimates TC intensity and over-estimates TC size. The SMAP assimilation therefore corrects the model in the right direction, leading to a storm that is more energetic and more compact. Furthermore, we find that the along-track forecast error is reduced by up to 34%, indicating a more accurate propagation speed, which is consistent with the fact that TC speed over land is strongly affected by surface processes. The impact of SMAP assimilation on the forecast cross-track error is neutral. Across the TC forecast skill metrics used here, the improvements from SMAP DA are largest at lead times of 36 to 72 hours, suggesting that the predictability of forecasts at shorter lead times may be dominated by short-term convective processes, while the land and its longer memory gains in importance as a source of predictability on a 2-3 day timescale. We further investigated the underlying mechanisms leading to the skill improvements from SMAP data assimilation by isolating the land areas that directly influence TC Idai using a back trajectory analysis. We find that the assimilation of SMAP leads to wetter soil moisture conditions that cause an increased latent heat flux, which ultimately results in TC analyzed representation that has higher column-integrated total moisture content and total energy compared to the analysis in the control run without SMAP assimilation. Overall, the results highlight that the assimilation of SMAP observations into a global numerical weather prediction model can lead to pronounced improvements of TC predictions. This is a crucial step towards a better mitigation of the socio-economic impact of landfalling TCs and thus safeguarding human lives. Finally, our study presents an event-based approach that assesses the impact of land data assimilation for a particular weather event rather than by globally averaging differences in skill. We argue that global skill assessments – while necessary – can mute the impact of land data assimilation, because the land’s influence on the atmosphere is constrained to certain locations and certain times. Instead, the event-based approach better highlights the true potential of land data assimilation in the context of NWP, especially for extreme events when accurate predictions are critical.

Jana Kolassa↗

Assimilation of SMAP Observations Over Land Improves the Simulation and Prediction of Tropical Cyclone Idai

This work is focused on the role of soil moisture in the prediction of tropical cyclones (TCs) approaching land and after landfall. Soil moisture conditions can impact the circulation and structure of an existing tropical cyclone (TC) when part or all of the circulation is over land. For example, dry land surface conditions may lead to faster dissipation of a TC over land (often associated with changes in precipitation structure), whereas very wet conditions may help sustain or in rare cases re-intensify a TC. Moreover, the presence of strong soil moisture gradients may affect the symmetry and development of the TC circulation leading to changes in its over-land track. While the link between soil moisture conditions and TC evolution in proximity to land is relatively well understood in theory, applications of these findings in the context of numerical weather prediction (NWP) have been limited. Here we present a case study that explores the potential of improving TC predictions through an improved soil moisture initialization in an NWP framework. Specifically, we examine the impact of assimilating observations from the NASA Soil Moisture Active Passive (SMAP) mission into the NASA Goddard Earth Observing System (GEOS) global weather model on the prediction of South-West Indian Ocean TC Idai (2019). SMAP provides accurate L-band (1.4 GHz) brightness temperatures (Tb) observations that are sensitive to soil moisture globally and at high revisit times of 2-3 days. It has previously been shown that the assimilation of SMAP Tb observations significantly improves modeled land surface states. Thus, it is expected that SMAP can be used to constrain land surface initial conditions and potentially benefit TC forecasts. Here we present two sets of retrospective forecasts of TC Idai that are compared in an Observing System Experiment framework at ¼ degree resolution: (i) forecasts initialized from an analysis that is comparable to the GEOS operational analysis (without SMAP Tb assimilation) and (ii) forecasts initialized from an analysis that additionally assimilates SMAP brightness temperature observations over land using a weakly-coupled land analysis. We find that the assimilation of SMAP meaningfully improves the representation of TC Idai’s structure as well as the prediction of its intensity and track. The analyzed TC size, as measured by the wind speed radius, is improved by up to 18% in the analysis with SMAP assimilation relative to the control run. The forecast intensity error, measured against the observed intensity, is reduced by up to 23%. At the 1/4-degree resolution used here, GEOS unavoidably under-estimates TC intensity and over-estimates TC size. The SMAP assimilation therefore corrects the model in the right direction, leading to a storm that is more energetic and more compact. Furthermore, we find that the along-track forecast error is reduced by up to 34%, indicating a more accurate propagation speed, which is consistent with the fact that TC speed over land is strongly affected by surface processes. The impact of SMAP assimilation on the forecast cross-track error is neutral. Across the TC forecast skill metrics used here, the improvements from SMAP DA are largest at lead times of 36 to 72 hours, suggesting that the predictability of forecasts at shorter lead times may be dominated by short-term convective processes, while the land and its longer memory gains in importance as a source of predictability on a 2-3 day timescale. We further investigated the underlying mechanisms leading to the skill improvements from SMAP data assimilation by isolating the land areas that directly influence TC Idai using a back trajectory analysis. We find that the assimilation of SMAP leads to wetter soil moisture conditions that cause an increased latent heat flux, which ultimately results in TC analyzed representation that has higher column-integrated total moisture content and total energy compared to the analysis in the control run without SMAP assimilation. Overall, the results highlight that the assimilation of SMAP observations into a global numerical weather prediction model can lead to pronounced improvements of TC predictions. This is a crucial step towards a better mitigation of the socio-economic impact of landfalling TCs and thus safeguarding human lives. Finally, our study presents an event-based approach that assesses the impact of land data assimilation for a particular weather event rather than by globally averaging differences in skill. We argue that global skill assessments – while necessary – can mute the impact of land data assimilation, because the land’s influence on the atmosphere is constrained to certain locations and certain times. Instead, the event-based approach better highlights the true potential of land data assimilation in the context of NWP, especially for extreme events when accurate predictions are critical.

Jana Kolassa↗

A Brief Assessment of the Impact of Nearly 40 Years of Assimilated Observations Over the Amazon Basin

Adding a Forecast Sensitivity-based Observation Impact component to Version 2 of the Modern Era Retrospective-analysis for Research and Applications, the present study provides an assessment of the impact of nearly 40 years of observations on short-range (24-hr) forecasts over the Amazon basin. Under self-verification, forecast errors are found to slightly increase from the early data-sparse days to the more recent years, when data dramatically increase. Throughout the reanalysis, satellite radiances dominate in volume, but only before 1999 they dominate the impacts. Beyond 1999, over 50% of forecast error reduction is associated with conventional observations (radiosondes). Atmospheric Motion Vectors are also found to be large contributors to error reduction, but their contribution reduces in dry periods. In opposition to Atmospheric Motion Vectors, satellite radiances tend to contribute more in the dry season. Results provide motivation for additional conventional observations and the use of all-sky treatment of radiances.

F. L. R. Diniz↗

Kβ X-ray Emission Spectra Analysis Using Bayesian Optimization

The Kβ X-ray emission spectrum of 3 d transition metals is rich with electronic and structural information due to strong exchange interactions with the valence shell of the metal, and has become crucial for understanding their spin and oxidation states. The spectrum is commonly treated using crystal-field multiplet theory, a semi-empirical theory that uses tunable parameters to control the strength of the effects present in X-ray emission spectroscopy (XES). However, determining the experimental values of these parameters remains a challenge. We present a methodology that applies Bayesian optimization to crystal-field multiplet theory to determine parameter values. The algorithm is tested on the X-ray emission spectra of a collection of Mn, Co, and Ni oxides. We are able to find optimal values for the four most impactful parameters: Slater−Condon reduction factors F dd , F pd , and G pd , and crystal field splitting 10 Dq . The algorithm produces significantly improved accuracy compared to current analysis methods, and probes interparameter dependencies by modeling the error landscape. This advancement enhances XES analysis by offering an approach of obtaining quantitative electronic structural information on 3 d transition metal valence shells, facilitating applications across various scientific fields.

Bayesian optimization↗

Large Ensemble Diagnostic Evaluation of Hydrologic Parameter Uncertainty in the Community Land Model Version 5 (CLM5)

Abstract Land surface models such as the Community Land Model version 5 (CLM5) seek to enhance understanding of terrestrial hydrology and aid in the evaluation of anthropogenic and climate change impacts. However, the effects of parametric uncertainty on CLM5 hydrologic predictions across regions, timescales, and flow regimes have yet to be explored in detail. The common use of the default hydrologic model parameters in CLM5 risks generating streamflow predictions that may lead to incorrect inferences for important dynamics and/or extremes. In this study, we benchmark CLM5 streamflow predictions relative to the commonly employed default hydrologic parameters for 464 headwater basins over the conterminous United States (CONUS). We evaluate baseline CLM5 default parameter performance relative to a large (1,307) Latin Hypercube Sampling‐based diagnostic comparison of streamflow prediction skill using over 20 error measures. We provide a global sensitivity analysis that clarifies the significant spatial variations in parametric controls for CLM5 streamflow predictions across regions, temporal scales, and error metrics of interest. The baseline CLM5 shows relatively moderate to poor streamflow prediction skill in several CONUS regions, especially the arid Southwest and Central U.S. Hydrologic parameter uncertainty strongly affects CLM5 streamflow predictions, but its impacts vary in complex ways across U.S. regions, timescales, and flow regimes. Overall, CLM5's surface runoff and soil water parameters have the largest effects on simulated high flows, while canopy water and evaporation parameters have the most significant effects on the water balance.

54 ENVIRONMENTAL SCIENCES↗