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At least 415 records · Page 23

Subseasonal prediction with and without a well-represented stratosphere in CESM1

There is a growing demand for understanding sources of predictability on subseasonal to seasonal (S2S) time scales. Predictability at subseasonal time scales is believed to come from processes varying slower than the atmosphere such as soil moisture, snowpack, sea ice, and ocean heat content. The stratosphere as well as tropospheric modes of variability can also provide predictability at subseasonal time scales. Furthermore, the contributions of the above sources to S2S predictability are not well quantified. Here we evaluate the subseasonal prediction skill of the Community Earth System Model, version 1 (CESM1), in the default version of the model as well as a version with the improved representation of stratospheric variability to assess the role of an improved stratosphere on prediction skill. We demonstrate that the subseasonal skill of CESM1 for surface temperature and precipitation is comparable to that of operational models. We find that a better-resolved stratosphere improves stratospheric but not surface prediction skill for weeks 3–4.

54 ENVIRONMENTAL SCIENCES↗

Virtual node graph neural network for full phonon prediction

Understanding the structure-property relationship is crucial for designing materials with desired properties. The past few years have witnessed remarkable progress in machine-learning methods for this connection. However, substantial challenges remain, including the generalizability of models and prediction of properties with materials-dependent output dimensions. Here we present the virtual node graph neural network to address the challenges. By developing three virtual node approaches, we achieve Γ-phonon spectra and full phonon dispersion prediction from atomic coordinates. We show that, compared with the machine-learning interatomic potentials, our approach achieves orders-of-magnitude-higher efficiency with comparable to better accuracy. This allows us to generate databases for Γ-phonon containing over 146,000 materials and phonon band structures of zeolites. Additionally, our work provides an avenue for rapid and high-quality prediction of phonon band structures enabling materials design with desired phonon properties. The virtual node method also provides a generic method for machine-learning design with a high level of flexibility. In this study, the authors present a virtual node graph neural network to enable the prediction of material properties with variable output dimensions. This method offers fast and accurate predictions of phonon band structures in complex solids.

36 MATERIALS SCIENCE↗

Coupling High-Throughput Experiments and Regression Algorithms to Optimize PGM-Free ORR Electrocatalyst Synthesis

Over the past decades, significant improvement has been achieved in the performance of platinum group metal-free (PGM-free) materials as an alternative to Pt-based electrocatalysts for oxygen reduction reaction (ORR). However, further progress in ORR activity requires evaluation of precursors and synthesis approaches. In response to this challenge, we generated a first of its kind experimental data set of 36 samples using high-throughput synthesis and activity measurements. Several control parameters (e.g., Fe precursor identity, the precursor content, and pyrolysis temperature) were varied. We then developed several state-of-the-art machine learning (ML) based regression models to predict ORR activity, dependent on selected synthesis variables. Through an iterative algorithm, higher prediction accuracy (smaller root-mean-square error) was achieved. We identified that gradient boosting regression (GBR) and support vector regression (SVR), among several methods, work best for this data set. Aided by our ML-based surrogate models, we decided to alter catalyst synthesis conditions, which resulted in a 36% increase in measured ORR activity in comparison to the maximum ORR mass activity value of 21.9 A/g catalyst in the original data set. Overall, this combined experiment and machine learning approach represents a promising path forward toward developing highly efficient next-generation ORR electrocatalysts and, more generally, functional materials.

25 ENERGY STORAGE↗

A survey of strength analysis methods for laminates with holes

The methods for predicting the strength of composite laminates with fastener holes are reviewed for the cases of unloaded as well as loaded holes. Three categories of methods are discussed: (1) the hole-boundary stress (HBS) methods which compare the peak stresses and the laminate strength; (2) the linear elastic fracture (LEFM) methods which assume cracks emanating from the hole and predict failure when the stress intensity factor for a crack equals the laminate fracture toughness; and (3) two different two-parameter (TP) methods: the average-stress (ASTP) method, which predicts failure when the average stress over a distance from the hole equals the laminate strength; and the point-stress (PSTP) Whitney-Nuismer (1974) approach, which predicts failure when the stress near the hole equals the material strength. The PSTP is relatively accurate and is by far the most widely used of all the prediction methods. However, for large ranges of variables and cases, the current strength predictions may not always be accurate.

Crews, J. H., Jr.↗

Accurate Simulation of Both Sensitivity and Variability for Amazonian Photosynthesis: Is It Too Much to Ask?

Abstract Estimates of Amazon rainforest gross primary productivity (GPP) differ by a factor of 2 across a suite of three statistical and 18 process models. This wide spread contributes uncertainty to predictions of future climate. We compare the mean and variance of GPP from these models to that of GPP at six eddy covariance (EC) towers. Only one model's mean GPP across all sites falls within a 99% confidence interval for EC GPP, and only one model matches EC variance. The strength of model response to climate drivers is related to model ability to match the seasonal pattern of the EC GPP. Models with stronger seasonal swings in GPP have stronger responses to rain, light, and temperature than does EC GPP. The model to data comparison illustrates a trade‐off inherent to deterministic models between accurate simulation of a mean (average) and accurate responsiveness to drivers. The trade‐off exists because all deterministic models simplify processes and lack at least some consequential driver or interaction. If a model's sensitivities to included drivers and their interactions are accurate, then deterministically predicted outcomes have less variability than is realistic. If a GPP model has stronger responses to climate drivers than found in data, model predictions may match the observed variance and seasonal pattern but are likely to overpredict GPP response to climate change. High or realistic variability of model estimates relative to reference data indicate that the model is hypersensitive to one or more drivers.

54 ENVIRONMENTAL SCIENCES↗

The Role of Land‐Atmosphere Feedbacks in Midlatitude Wintertime Surface Temperature Variability

Accurately representing synoptic near-surface temperature variability is crucial to predict weather extremes, yet models remain biased. Existing studies primarily attribute wintertime midlatitude near-surface temperature variability to tropospheric large-scale advection, assuming minimal land influence. However, nudging the model's circulation toward observations yields little improvement in wintertime temperature variance over Northern Hemisphere land, suggesting that land-atmosphere interactions also warrant attention. We introduce a new scaling framework for temperature variance that incorporates local land-atmosphere feedbacks. Comparing our framework to the mixing length approach—which links temperature variance to the meridional temperature gradient and air parcel displacement (mixing length)—shows that land-atmosphere feedbacks are inherently embedded in the mixing length, a connection previously overlooked. Roles of land–atmosphere feedbacks are evaluated via model experiments with perturbed circulation, land, or both. We find that longwave radiative damping dominates temperature variance responses over meridional temperature gradient when both land and circulation are perturbed.

atmosheric science↗

Annual Scientific Focus Area Report for the Energy Exascale Earth System Model Project: Phase II

The project's long-term goal is to assert and maintain an international scientific leadership position in the development of Earth system models that address the grand challenge of actionable predictions of Earth system variability and change, with an emphasis on the most critical scientific questions facing the nation and DOE. The grand challenge will be addressed by overcoming three major limitations: Pushing the high-resolution frontier of Earth system modeling through a combination of strategic model development and computational advances targeting exascale computers and beyond. Bridging the gap in scales and processes by developing a new class of models that couple the natural, managed, and man-made systems across scales to address energy sector vulnerability to variability and change. The project will achieve its goal through four intersecting project elements: A series of prediction and simulation experiments addressing scientific questions and mission needs; A well-documented and tested, continuously advancing, evolving, and improving system of model codes that comprise the E3SM Earth system model; The ability to use effectively leading (and “bleeding”) edge computational facilities soon after their deployment at DOE national laboratories; and An infrastructure to support code development, hypothesis testing, simulation execution, and analysis of results. To achieve the Grand Challenge of actionable Earth system predictions to address the most critical scientific questions facing our nation and DOE, the E3SM project defined its strategy in a fifteen-year roadmap with four intersecting project elements: A series of prediction and simulation experiments addressing scientific questions and mission needs; A well-documented and tested, continuously advancing, evolving, and improving system of model codes that comprise the E3SM Earth system model ; The ability to use effectively leading (and “bleeding”) edge computational facilities soon after their deployment at DOE national laboratories; and An infrastructure to support code development, hypothesis testing, simulation execution, and analysis of results. Figure 1 depicts the E3SM Project Roadmap, showing the relationships among the first three major project elements: the simulations, the modeling system to perform those simulations, and the machines on which they will be executed. Unlike the other three elements that have distinct but overlapping phases, the fourth element, the infrastructure, will evolve continuously based on the requirements imposed by project needs.

54 ENVIRONMENTAL SCIENCES↗

Temporal Variability of Observed and Simulated Hyperspectral Earth Reflectance

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) is a climate observation system designed to study Earth's climate variability with unprecedented absolute radiometric accuracy and SI traceability. Observation System Simulation Experiments (OSSEs) were developed using GCM output and MODTRAN to simulate CLARREO reflectance measurements during the 21st century as a design tool for the CLARREO hyperspectral shortwave imager. With OSSE simulations of hyperspectral reflectance, Feldman et al. [2011a,b] found that shortwave reflectance is able to detect changes in climate variables during the 21st century and improve time-to-detection compared to broadband measurements. The OSSE has been a powerful tool in the design of the CLARREO imager and for understanding the effect of climate change on the spectral variability of reflectance, but it is important to evaluate how well the OSSE simulates the Earth's present-day spectral variability. For this evaluation we have used hyperspectral reflectance measurements from the Scanning Imaging Absorption Spectrometer for Atmospheric Cartography (SCIAMACHY), a shortwave spectrometer that was operational between March 2002 and April 2012. To study the spectral variability of SCIAMACHY-measured and OSSE-simulated reflectance, we used principal component analysis (PCA), a spectral decomposition technique that identifies dominant modes of variability in a multivariate data set. Using quantitative comparisons of the OSSE and SCIAMACHY PCs, we have quantified how well the OSSE captures the spectral variability of Earth?s climate system at the beginning of the 21st century relative to SCIAMACHY measurements. These results showed that the OSSE and SCIAMACHY data sets share over 99% of their total variance in 2004. Using the PCs and the temporally distributed reflectance spectra projected onto the PCs (PC scores), we can study the temporal variability of the observed and simulated reflectance spectra. Multivariate time series analysis of the PC scores using techniques such as Singular Spectrum Analysis (SSA) and Multichannel SSA will provide information about the temporal variability of the dominant variables. Quantitative comparison techniques can evaluate how well the OSSE reproduces the temporal variability observed by SCIAMACHY spectral reflectance measurements during the first decade of the 21st century. PCA of OSSE-simulated reflectance can also be used to study how the dominant spectral variables change on centennial scales for forced and unforced climate change scenarios. To have confidence in OSSE predictions of the spectral variability of hyperspectral reflectance, it is first necessary for us to evaluate the degree to which the OSSE simulations are able to reproduce the Earth?s present-day spectral variability.

Roberts, Yolanda↗

Hybrid Reynolds-Averaged/Large Eddy Simulation of a Cavity Flameholder; Assessment of Modeling Sensitivities

Steady-state and scale-resolving simulations have been performed for flow in and around a model scramjet combustor flameholder. The cases simulated corresponded to those used to examine this flowfield experimentally using particle image velocimetry. A variety of turbulence models were used for the steady-state Reynolds-averaged simulations which included both linear and non-linear eddy viscosity models. The scale-resolving simulations used a hybrid Reynolds-averaged / large eddy simulation strategy that is designed to be a large eddy simulation everywhere except in the inner portion (log layer and below) of the boundary layer. Hence, this formulation can be regarded as a wall-modeled large eddy simulation. This effort was undertaken to formally assess the performance of the hybrid Reynolds-averaged / large eddy simulation modeling approach in a flowfield of interest to the scramjet research community. The numerical errors were quantified for both the steady-state and scale-resolving simulations prior to making any claims of predictive accuracy relative to the measurements. The steady-state Reynolds-averaged results showed a high degree of variability when comparing the predictions obtained from each turbulence model, with the non-linear eddy viscosity model (an explicit algebraic stress model) providing the most accurate prediction of the measured values. The hybrid Reynolds-averaged/large eddy simulation results were carefully scrutinized to ensure that even the coarsest grid had an acceptable level of resolution for large eddy simulation, and that the time-averaged statistics were acceptably accurate. The autocorrelation and its Fourier transform were the primary tools used for this assessment. The statistics extracted from the hybrid simulation strategy proved to be more accurate than the Reynolds-averaged results obtained using the linear eddy viscosity models. However, there was no predictive improvement noted over the results obtained from the explicit Reynolds stress model. Fortunately, the numerical error assessment at most of the axial stations used to compare with measurements clearly indicated that the scale-resolving simulations were improving (i.e. approaching the measured values) as the grid was refined. Hence, unlike a Reynolds-averaged simulation, the hybrid approach provides a mechanism to the end-user for reducing model-form errors.

Baurle, R. A.↗

Web-based Visualization and Analytics of Petascale Data: Equity as a Tide that Lifts All Boats

Scientists generate petabytes of data daily to help uncover environmental trends or behaviors that are hard to predict. For example, understanding climate simulations based on the long-term average of temperature, precipitation, and other environmental variables is essential to predicting and establishing root causes of future undesirable scenarios and assessing possible mitigation strategies. While supercomputer centers provide a powerful infrastructure for generating petabytes of simulation output, accessing and analyzing these datasets interactively remains challenging on multiple fronts. This paper presents an approach to managing, visualizing, and analyzing petabytes of data within a browser on equipment ranging from the top NASA supercomputer to commodity hardware like a laptop. Our novel data fabric abstraction layer allows user-friendly querying of scientific information while hid-ing the complexities of dealing with file systems or cloud services.We also optimize network utilization while streaming from petas-cale repositories through state-of-the-art progressive compression algorithms. Based on this abstraction, we provide customizable dashboards that can be accessed from any device with any inter-net connection, enabling interactive visual analysis of vast amounts of data to a wide range of users - from top scientists with access to leadership-class computing environments to undergraduate students of disadvantaged backgrounds from minority-serving institutions. We focus on NASA’s use of petascale climate datasets as an example of particular societal impact and, therefore, a case where achieving equity in science participation is critical. We validate our approach by improving the ability of climate scientists to visually explore their data via two fully interactive dashboards. We further validate our approach by deploying the dashboards and simplified training materials in the classroom at a minority-serving institution.These dashboards, released in simplified form to the general public, contribute significantly to a broader push to democratize the access and use of climate data.

Data visualization↗

Photochemical processes induced by a major warming of the upper atmosphere - Variations in mesospheric trace constituents

The temperature rise and enhanced winds during an upper atmospheric warming cause substantial changes in the high level ozone profile of the sunlit winter hemisphere. Calculations based on a photochemical model, using temperatures measured at Fort Churchill during a major warming, predict a factor of 2 variation in the ozone number density near 60 km over a time period of approximately 3 weeks. This temporal variability at a fixed location results from the planetary wave structure of the temperature field and reflects a similar longitudinal behavior at a given time. The ozone number density at fixed altitude is a maximum when the temperature is greatest at and below this level. This is due primarily to thermal expansion of the atmosphere which results in a large increase in pressure at constant altitude. However, chemical activity during a warming decreases the mesospheric ozone mixing ratio at fixed pressure. The ozone mixing ratio at constant pressure during the peak of the event studied is near 75% of its unperturbed value. The predicted variability of ozone in longitude and time demonstrates the need for hemispheric scale information on trace gas abundances, temperature, and winds in order to delineate adequately the response of upper atmospheric composition to a major perturbation.

Frederick, J. E.↗

Probabilistic Forecast of All-Sky Solar Radiation Using Enhanced WRF-Solar: Preprint

This study presents enhancements of the Weather Research and Forecasting model with solar extensions (WRF-Solar) to provide probabilistic forecasts of solar radiation. Our approach builds ensemble WRF-Solar runs by introducing stochastic perturbations of variables that produce the largest uncertainties in predicting surface irradiance and clouds. The key variables are identified using tangent linear sensitivity analysis of six physics packages responsible for all-sky irradiance variability. An optimal strategy to stochastically perturb the selected variables is developed and applied to WRF-Solar to generate ensemble members for day-ahead solar prediction. The National Solar Radiation Database (NSRDB) is used to validate the ensemble forecast at arbitrary locations on the model grid. Preliminary results indicate that the proposed technique can potentially produce WRF-Solar ensembles providing reliable information of solar prediction uncertainty. This study describes the implemented methodology and initial results as well as future research to improve ensemble-based probabilistic forecasts with WRF-Solar.

all-sky↗

Modeling Noise: Paths toward AI-Enabled Stochastic Earth System Models and Parameterizations

Some of the key challenges in Earth system prediction arise from an uncertain representation of unpredictable natural variability, across time and space scales. This variability, hereafter referred to as noise, represents the quantity against which the strength of a signal of interest is measured to assess predictability. Underestimating or overestimating this noise in Earth system models can lead to issues ranging between overconfidence in an erroneous prediction and a lack thereof in an otherwise accurate one. Noise is part of the physical processes in the Earth system and can amplify or damp a signal of interest in a complex manner that is not systematically characterized. Specifically, while there has been significant progress in our understanding of multiscale interactions among known modes of variability (potentially predictable signals), how these are impacted by the noise is not clear. Recent effort toward stochastic parametrization schemes that provide a representation of noise due to uncertain sub-grid processes in climate models (Berner et al., 2017 and references therein) has shown promise not only in reducing biases and improving probabilistic prediction but also in improving the representation of natural variability in the model toward what is observed. However, today’s standard schemes for stochastic parametrization are still simplistic as they do not take the state of the atmosphere into account (other than by the use of multiplicative noise for model tendencies). Furthermore they require hand-tuning and trial-and-error testing for the magnitude of the added noise, which is difficult in a chaotic system that is as complex as the Earth system.

58 GEOSCIENCES↗

A Predictive Model for Survival of Escherichia coli O157:H7 and Generic E. coli in Soil Amended with Untreated Animal Manure

Abstract This study aimed at developing a predictive model that captures the influences of a variety of agricultural and environmental variables and is able to predict the concentrations of enteric bacteria in soil amended with untreated Biological Soil Amendments of Animal Origin (BSAAO) under dynamic conditions. We developed and validated a Random Forest model using data from a longitudinal field study conducted in mid‐Atlantic United States investigating the survival of Escherichia coli O157:H7 and generic E. coli in soils amended with untreated dairy manure, horse manure, or poultry litter. Amendment type, days of rain since the previous sampling day, and soil moisture content were identified as the most influential agricultural and environmental variables impacting concentrations of viable E. coli O157:H7 and generic E. coli recovered from amended soils. Our model results also indicated that E. coli O157:H7 and generic E. coli declined at similar rates in amended soils under dynamic field conditions.The Random Forest model accurately predicted changes in viable E. coli concentrations over time under different agricultural and environmental conditions. Our model also accurately characterized the variability of E. coli concentration in amended soil over time by providing upper and lower prediction bound estimates. Cross‐validation results indicated that our model can be potentially generalized to other geographic regions and incorporated into a risk assessment for evaluating the risks associated with application of untreated BSAAO. Our model can be validated for other regions and predictive performance also can be enhanced when data sets from additional geographic regions become available.

Pang, Hao↗

Interpretable Machine Learning for Molecular Biosignatures: a Novel Single-Sample Feature Importance Method That Is Sensitive To Statistical Interactions

Isotope ratio mass spectrometry (IRMS) of volatiles (e.g., CO 2 ) promises to be a powerful tool for potential biosignature detection for future missions to ocean worlds (OW) such as Europa and Enceladus. Machine learning (ML) methods for IRMS data could enable science autonomy by onboard prediction of seawater chemistry and biosignature presence. However, ML models are likely to be complex and involve statistical interactions between features (variables), which can make predictions seem opaque and enigmatic. For ML predictions as significant as extraterrestrial biosignatures, we must place extraordinary confidence in models. It is therefore essential that these models make interpretable predictions (i.e., human-understandable) and include false-prediction diagnostics. We achieve high accuracy and interpretability in ML biosignature and seawater chemistry models for OW through a nearest-neighbors feature selection tool that detects statistical interactions between predictors, constructs interaction networks for visualization of selected features working together to make a prediction, and reports single-sample feature importance scores for false-detection diagnostics. Here we develop a novel single-sample nearest-neighbors projected distance regression(ssNPDR) feature selection method that improves upon existing single-sample algorithms through the inclusion of statistical interactions while providing false-prediction diagnostics for ML models.

geochemistry↗

AH Cam: A metal-rich RR Lyrae star with the shortest known Blazhko period

Analysis of 746 new V-band observations of the RR Lyrae star AH Cam obtained during 1989 - 1992 clearly show that its light curve cannot be described by a single period. In fact, at first glance, the Fourier spectrum of the photometry resembles that of a double-mode pulsator, with peaks at a fundamental period of 0.3686 d and an apparent secondary period of 0.2628 d. Nevertheless, the dual-mode solution is a poor fit to the data. Rather, we believe that AH Cam is a single-mode RR Lyrae star undergoing the Blazhko effect: periodic modulation of the amplitude and shape of its light curve. What was originally taken to be the period of the second mode is instead the 1-cycle/d alias of a modulation sidelobe in the Fourier spectrum. The data are well described by a modulation period of just under 11 d, which is the shortest Blazhko period reported to date in the literature and confirms the earlier suggestion by Goranskii. A low-resolution spectrum of AH Cam indicates that it is relatively metal rich, with delta-S less than or = 2. Its high metallicity and short modulation period may provide a critical test of at least one theory for the Blazhko effect. Moskalik's internal resonance model makes specific predictions of the growth rate of the fundamental model vs fundamental period. AH Cam falls outside the regime of other known Blazhko variables and resonance model predictions, but these are appropriate for metal-poor RR Lyrae stars. If the theory matches the behavior of AH Cam for a metal-rich stellar model, this would bolster the resonance hypothesis.

Smith, Horace A.↗

Using Data Assimilation Methods of Prediction of Solar Activity

The variable solar magnetic activity known as the 11-year solar cycle has the longest history of solar observations. These cycles dramatically affect conditions in the heliosphere and the Earth's space environment. Our current understanding of the physical processes that make up global solar dynamics and the dynamo that generates the magnetic fields is sketchy, resulting in unrealistic descriptions in theoretical and numerical models of the solar cycles. The absence of long-term observations of solar interior dynamics and photospheric magnetic fields hinders development of accurate dynamo models and their calibration. In such situations, mathematical data assimilation methods provide an optimal approach for combining the available observational data and their uncertainties with theoretical models in order to estimate the state of the solar dynamo and predict future cycles. In this presentation, we will discuss the implementation and performance of an Ensemble Kalman Filter data assimilation method based on the Parker migratory dynamo model, complemented by the equation of magnetic helicity conservation and long-term sunspot data series. This approach has allowed us to reproduce the general properties of solar cycles and has already demonstrated a good predictive capability for the current cycle, 24. We will discuss further development of this approach, which includes a more sophisticated dynamo model, synoptic magnetogram data, and employs the DART Data Assimilation Research Testbed.

Prediction↗