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At least 1,225 records · Page 68

A model-independent data assimilation (MIDA) module and its applications in ecology

Abstract. Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

58 GEOSCIENCES↗

Probabilistic system identification in the time domain

The objective of system identification is to determine reliable dynamical models of a structure by systematically using its measured excitation and response. It brings together in an integrated fashion, experimental, analytical, and computational techniques in structural dynamics. Areas of application for system identification include the following: (1) Model Evaluation--assessing assumptions (linearity and equivalent viscous damping) and techniques (finite-element modeling) used to construct theoretical models of a structure; (2) Model Improvement--updating of a theoretical model to enable more accurate response predictions for possible future loads on the structure, or for control of the structure; (3) Empirical Modelling--developing empirical relationships (nonlinear models) or empirical parameter values (modal damping) because the present state of the art does not provide theoretical results; and (4) Damage Detection and Assessment--continual or episodic updating of a structural model through vibration monitoring to detect and locate any structural damage. It can be argued that since the construction or modification of models using test data is subject to inherent uncertainties, the above problems should be properly treated within a Bayesian probabilistic framework. Such a methodology is presented which allows the precision of the estimates of the model parameters to be computed. It also leads to a guiding principle in applications. Namely, when selecting a single model from a given class of models, one should take the most probable model in the class based on the experimental data. Practical applications of this principle are given which are based on the utilization of measured seismic motions in large civil structures. Examples include the application of a computer program MODE-ID to identify modal properties directly from seismic excitation and response time histories from a nine-story steel-frame building at JPL and from a freeway overpass bridge.

Beck, James L.↗

Aerosol Observability and Predictability: From Research to Operations for Chemical Weather Forecasting. Lagrangian Displacement Ensembles for Aerosol Data Assimilation

A challenge common to many constituent data assimilation applications is the fact that one observes a much smaller fraction of the phase space that one wishes to estimate. For example, remotely sensed estimates of the column average concentrations are available, while one is faced with the problem of estimating 3D concentrations for initializing a prognostic model. This problem is exacerbated in the case of aerosols because the observable Aerosol Optical Depth (AOD) is not only a column integrated quantity, but it also sums over a large number of species (dust, sea-salt, carbonaceous and sulfate aerosols. An aerosol transport model when driven by high-resolution, state-of-the-art analysis of meteorological fields and realistic emissions can produce skillful forecasts even when no aerosol data is assimilated. The main task of aerosol data assimilation is to address the bias arising from inaccurate emissions, and Lagrangian misplacement of plumes induced by errors in the driving meteorological fields. As long as one decouples the meteorological and aerosol assimilation as we do here, the classic baroclinic growth of error is no longer the main order of business. We will describe an aerosol data assimilation scheme in which the analysis update step is conducted in observation space, using an adaptive maximum-likelihood scheme for estimating background errors in AOD space. This scheme includes e explicit sequential bias estimation as in Dee and da Silva. Unlikely existing aerosol data assimilation schemes we do not obtain analysis increments of the 3D concentrations by scaling the background profiles. Instead we explore the Lagrangian characteristics of the problem for generating local displacement ensembles. These high-resolution state-dependent ensembles are then used to parameterize the background errors and generate 3D aerosol increments. The algorithm has computational complexity running at a resolution of 1/4 degree, globally. We will present the result of assimilating AOD retrievals from MODIS (on both Aqua and TERRA satellites) from AERONET for validation. The impact on the GEOS-5 Aerosol Forecasting will be fully documented.

da Silva, Arlindo↗

Thermomechanical analysis and modeling of a high-temperature light trapping planar cavity solar receiver

The development of durable particle-based high-temperature solar receivers is critical for advancing concentrating solar-thermal (CST) technologies to enable high-efficiency power generation and industrial process heat. Here, this study presents a computational framework to evaluate the thermomechanical performance of a proposed enclosed light-trapping planar cavity receiver designed for particle-based thermal energy systems. The receiver incorporates absorptive cavities and fluidized particle-bed channels to enhance heat capture and reduce thermal losses. Finite element analysis (FEA) is employed to assess stress, strain, and creep-fatigue behavior under concentrated solar flux using realistic thermal boundary conditions derived from coupled system models and experimental assembly parameters. The analysis investigates the influence of particle-to-wall heat transfer coefficients (HTC) ranging from 800 to 1800 W/m 2 .K on the thermomechanical response of six candidate high-temperature alloys: Alloy 740H, Alloy 282, Alloy 617, 316H, Alloy 230, and 800H. Results show that increasing HTC reduces thermal gradients, leading to lower stresses and strains and extended minimum predicted creep life. While all materials satisfy fatigue life requirements under the investigated conditions, significant differences in creep resistance are observed. Alloy 740H consistently exhibits the longest minimum predicted creep life and the most favorable durability margins, followed by Alloy 282, with the remaining materials showing reduced creep resistance under identical loading. The reported creep lives are conservative lower-bound estimates intended for comparative material evaluation. This framework highlights the critical roles of material selection and geometry optimization in improving mechanical durability and reliability of solar-thermal receivers, forming a foundation for future experimental validation and design optimization.

14 SOLAR ENERGY↗

High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo

We present results and discuss methods for computing the melting temperature of dense molecular hydrogen using a machine learned model trained on quantum Monte Carlo data. In this newly trained model, we emphasize the importance of accurate total energies in the training. We integrate a two phase method for estimating the melting temperature with estimates from the Clausius–Clapeyron relation to provide a more accurate melting curve from the model. We make detailed predictions of the melting temperature, solid and liquid volumes, latent heat, and internal energy from 50 to 180 GPa for both classical hydrogen and quantum hydrogen. At pressures of roughly 173 GPa and 1635 K, we observe molecular dissociation in the liquid phase. Here, we compare with previous simulations and experimental measurements.

08 HYDROGEN↗

Shortwave absorption by wildfire smoke dominated by dark brown carbon

Abstract Wildfires emit large amounts of black carbon and light-absorbing organic carbon, known as brown carbon, into the atmosphere. These particles perturb Earth’s radiation budget through absorption of incoming shortwave radiation. It is generally thought that brown carbon loses its absorptivity after emission in the atmosphere due to sunlight-driven photochemical bleaching. Consequently, the atmospheric warming effect exerted by brown carbon remains highly variable and poorly represented in climate models compared with that of the relatively nonreactive black carbon. Given that wildfires are predicted to increase globally in the coming decades, it is increasingly important to quantify these radiative impacts. Here we present measurements of ensemble-scale and particle-scale shortwave absorption in smoke plumes from wildfires in the western United States. We find that a type of dark brown carbon contributes three-quarters of the short visible light absorption and half of the long visible light absorption. This strongly absorbing organic aerosol species is water insoluble, resists daytime photobleaching and increases in absorptivity with night-time atmospheric processing. Our findings suggest that parameterizations of brown carbon in climate models need to be revised to improve the estimation of smoke aerosol radiative forcing and associated warming.

54 ENVIRONMENTAL SCIENCES↗

Metastable Materials Discovery in the Age of Large-Scale Computation

Computational materials discovery has been successful in predicting novel, technologically relevant materials. However, it has remained focused almost exclusively on finding ground-state structures. Now that the lower-hanging fruit has been found in many fields of application, materials exploration is moving toward metastable materials: higher energy phases that are stable at practical time scales. Because of the challenges associated with predicting which phases are realistic, this class of materials has remained relatively unexplored, despite numerous examples of metastable structures with unmatched properties (e.g., diamond). This article highlights recent advances in developing computational and theoretical methods for predicting useful and realizable metastable materials. Topics discussed cover (1) the latest strategies for identifying potential metastable phases, (2) methodologies for assessing which phases can be realized experimentally, and (3) current approaches to estimate the lifetime of metastable materials.

amorphous materials↗

Higher-order symmetry plane correlations in Pb-Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

The correlations between event-by-event fluctuations of symmetry planes are measured in Pb-Pb collisions at a center-of-mass energy per nucleon pair $\sqrt{s_{NN}}$ = 5.02 TeV recorded by the ALICE detector at the Large Hadron Collider. This analysis is conducted using the Gaussian estimator technique, which is insensitive to biases from correlations between different flow amplitudes. The study presents, for the first time, the centrality dependence of correlations involving up to five different symmetry planes. The correlation strength varies depending on the harmonic order of the symmetry plane and the collision centrality. Comparisons with measurements from lower energies indicate no significant differences within uncertainties. Additionally, the results are compared with hydrodynamic model calculations. Although the model predictions provide a qualitative explanation of the experimental results, they overestimate the data for some observables. This is particularly true for correlators that are sensitive to the nonlinear response of the medium to initial-state anisotropies in the collision system. As these new correlators provide unique information—independent of flow amplitudes—their usage in future model developments can further constrain the properties of the strongly interacting matter created in ultrarelativistic heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Scale-Dependent Value of QPF for Real-Time Streamflow Forecasting

Incorporating rainfall forecasts into a real-time streamflow forecasting system extends the forecast lead time. Since quantitative precipitation forecasts (QPFs) are subject to substantial uncertainties, questions arise on the trade-off between the time horizon of the QPF and the accuracy of the streamflow forecasts. This study explores the problem systematically, exploring the uncertainties associated with QPFs and their hydrologic predictability. The focus is on scale dependence of the trade-off between the QPF time horizon, basin-scale, space-time scale of the QPF, and streamflow forecasting accuracy. To address this question, the study first performs a comprehensive independent evaluation of the QPFs at 140 U.S. Geological Survey (USGS) monitored basins with a wide range of spatial scales (~10 – 40,000 km 2 ) over the state of Iowa in the Midwestern United States. The study uses High-Resolution Rapid Refresh (HRRR) and Global Forecasting System (GFS) QPFs for short and medium-range forecasts, respectively. Using Multi-Radar Multi-Sensor (MRMS) quantitative precipitation estimate (QPE) as a reference, the results show that the rainfall-to-rainfall QPF errors are scale-dependent. The results from the hydrologic forecasting experiment show that both QPFs illustrate clear value for real-time streamflow forecasting at longer lead times in the short- to medium-range relative to the no-rain streamflow forecast. The value of QPFs for streamflow forecasting is particularly apparent for basin sizes below 1,000 km 2 . The space-time scale, or reference time t r ) (ratio of forecast lead time to basin travel time) ~ 1 depicts the largest streamflow forecasting skill with a systematic decrease in forecasting accuracy for t r > 1.

54 ENVIRONMENTAL SCIENCES↗

Lagged average forecasting, some operational considerations

The Lagged Average Forecast (LAF) method differs from the Monte Carlo Forecast (MCF) method in the definition of the ensemble of initial states which are used to generate the ensemble of forecasts. The LAF initial states are the current analysis and the forecasts made from previous analyses verifying the current time. Thus the LAF ensemble is composed of forecasts which are made by a regular operational system of numerical weather prediction and the LAF method is therefore operationally attractive. The application of the authors' previous ideas and results to an operational model requires the resolution of what might be called the degrees of freedom problem, i.e., how to obtain a homogeneous sample large enough to calculate stable statistics. It is suggested that this problem may be solved by carefully modeling the required statistics in terms of a small set of parameters and then estimating only these few parameters from the data. It is noted that there may be considerable information in each initial ensemble relating to the predictability of each particular case, and that this information may be incorporated in the model of the statistics.

Hoffman, R. N.↗

Adaptive planning for applications with dynamic objectives

We devise a qualitative control layer to be integrated into a real-time multi-agent reactive planner. The reactive planning system consists of distributed planning agents attending to various perspectives of the task environment. Each perspective corresponds to an objective. The set of objectives considered are sometimes in conflict with each other. Each agent receives information about events as they occur, and a set of actions based on heuristics can be taken by the agents. Within the qualitative control scheme, we use a set of qualitative feature vectors to describe the effects of applying actions. A qualitative transition vector is used to denote the qualitative distance between the current state and the target state. We will then apply on-line learning at the qualitative control level to achieve adaptive planning. Our goal is to design a mechanism to refine the heuristics used by the reactive planner every time an action is taken toward achieving the objectives, using feedback from the results of the actions. When the outcome is compared with expectations, our prior objectives may be modified and a new set of objectives (or a new assessment of the relative importance of the different objectives) can be introduced. Because we are able to obtain better estimates of the time-varying objectives, the reactive strategies can be improved and better prediction can be achieved.

Hadavi, Khosrow↗

Estimated Probabililty of Chest Injury During an International Space Station Mission

The Integrated Medical Model (IMM) is a decision support tool that is useful to spaceflight mission planners and medical system designers when assessing risks and optimizing medical systems. The IMM project maintains a database of medical conditions that could occur during a spaceflight. The IMM project is in the process of assigning an incidence rate, the associated functional impairment, and a best and a worst case end state for each condition. The purpose of this work was to develop the IMM Chest Injury Module (CIM). The CIM calculates the incidence rate of chest injury per person-year of spaceflight on the International Space Station (ISS). The CIM was built so that the probability of chest injury during one year on ISS could be predicted. These results will be incorporated into the IMM Chest Injury Clinical Finding Form and used within the parent IMM model.

Lewandowski, Beth E.↗

Development of a Benchmark Eddy Flux Evapotranspiration Dataset for Evaluation of Satellite-Driven Evapotranspiration Models Over the CONUS

A large sample of ground-based evapotranspiration (ET) measurements made in the United States, primarily from eddy covariance systems, were post-processed to produce a benchmark ET dataset. The dataset was produced primarily to support the intercomparison and evaluation of the OpenET satellite-based remote sensing ET (RSET) models and could also be used to evaluate ET data from other models and approaches. OpenET is a web-based service that makes field-delineated and pixel-level ET estimates from well-established RSET models readily available to water managers, agricultural producers, and the public. The benchmark dataset is composed of flux and meteorological data from a variety of providers covering native vegetation and agricultural settings. Flux footprint predictions were developed for each station and included static flux footprints developed based on average wind direction and speed, as well as dynamic hourly footprints that were generated with a physically based model of upwind source area. The two footprint prediction methods were rigorously compared to evaluate their relative spatial coverage. Data from all sources were post-processed in a consistent and reproducible manner including data handling, gap-filling, temporal aggregation, and energy balance closure correction. The resulting dataset included 243,048 daily and 5,284 monthly ET values from 194 stations, with all data falling between 1995 and 2021. We assessed average daily energy imbalance using 172 flux sites with a total of 193,021 days of data, finding that overall turbulent fluxes were understated by about 12% on average relative to available energy. Multiple linear regression analyses indicated that daily average latent energy flux may be typically understated slightly more than sensible heat flux. This dataset was developed to provide a consistent reference to support evaluation of RSET data being developed for a wide range of applications related to water accounting and water resources management at field to watershed scales.

54 ENVIRONMENTAL SCIENCES↗

Towards a theoretical understanding of excitonic properties of phthalocyanine thin films. I. Low-temperature exciton absorption spectra

Phthalocyanine (Pc)-based molecular thin films have emerged in recent years as a promising class of organic semiconductor materials for optoelectronic applications owing to their long exciton coherence length and fast exciton diffusion. However, the dependence of their exciton properties on the dimensionality and thermodynamic conditions, presence of metal ions, and effects of chemical modifications to the PC systems is not yet fully understood. As a first step towards a more comprehensive theoretical understanding of the excitonic properties of Pc thin films, we model their low-temperature exciton absorption spectra by employing the Frenkel Hamiltonian. The latter is derived from quantum-chemical estimates of site energies and exciton–exciton couplings. The predicted exciton absorption spectra of octabutoxy phthalocyanine (H 2 OBPc) is found to be strongly dependent on the dimensionality of the model as well as the distance cutoff for including the monomer–monomer exciton coupling. We also caution that the widely used dipole–dipole approximation could substantially overestimate the excitonic coupling between different monomers compared to a more accurate evaluation using the respective transition densities.

36 MATERIALS SCIENCE↗

Parameter estimation for X-ray scattering analysis with Hamiltonian Markov Chain Monte Carlo

Bayesian-inference-based approaches, in particular the random-walk Markov Chain Monte Carlo (MCMC) method, have received much attention recently for X-ray scattering analysis. Hamiltonian MCMC, a state-of-the-art development in the field of MCMC, has become popular in recent years. It utilizes Hamiltonian dynamics for indirect but much more efficient drawings of the model parameters. We described the principle of the Hamiltonian MCMC for inversion problems in X-ray scattering analysis by estimating high-dimensional models for several motivating scenarios in small-angle X-ray scattering, reflectivity, and X-ray fluorescence holography. Hamiltonian MCMC with appropriate preconditioning can deliver superior performance over the random-walk MCMC, and thus can be used as an efficient tool for the statistical analysis of the parameter distributions, as well as model predictions and confidence analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Predicting Cislunar Orbit Lifetimes from Initial Orbital Elements

The volume of space between Earth’s geosynchronous orbit out to the Moon’s sphere of influence, including the lunar Lagrange points, is crucial for the successful planning and execution of space missions, but not fully understood dynamically. This region is a part of cislunar space. Trajectories through cislunar space are influenced by the gravitational forces of the Sun, Earth, Moon, and other Solar System planets leading to typically unpredictable and chaotic trajectory behavior. It is therefore difficult to predict the stability of an trajectory through cislunar space from a set of initial conditions or orbital elements. We simulate one million cislunar orbits to train a self-organizing map (SOM) to cluster the trajectories and orbits into families based on how long they remain stable within the cislunar space. Using the trained SOM, we are able to predict the stable lifetime of a trajectory through cislunar space from a set of initial orbital elements to within an accuracy of 10% for 8% of simulated trajectories and within 50% for 43% of the simulated trajectories. Clustering in the SOM suggests that a variety of trajectory morphologies have similar lifetimes. Once trained, the SOM can predict the stable lifetime of a given cislunar trajectory within milliseconds. The methods developed in this work enable the rapid identification of stable cislunar orbits and trajectories that could be used for future space exploration. Moreover, the developed SOM method can generate orbital and trajectory lifetime estimates from minimal observational data, such as a single two line element, making it useful for early warning systems and large-scale sensor network operations.

79 ASTRONOMY AND ASTROPHYSICS↗

Agricultural Productivity Forecasts for Improved Drought Monitoring

Water stresses on agricultural crops during critical phases of crop phenology (such as grain filling) has higher impact on the eventual yield than at other times of crop growth. Therefore farmers are more concerned about water stresses in the context of crop phenology than the meteorological droughts. However the drought estimates currently produced do not account for the crop phenology. US Department of Agriculture (USDA) and National Oceanic and Atmospheric Administration (NOAA) have developed a drought monitoring decision support tool: The U.S. Drought Monitor, which currently uses meteorological droughts to delineate and categorize drought severity. Output from the Drought Monitor is used by the States to make disaster declarations. More importantly, USDA uses the Drought Monitor to make estimates of crop yield to help the commodities market. Accurate estimation of corn yield is especially critical given the recent trend towards diversion of corn to produce ethanol. Ethanol is fast becoming a standard 10% ethanol additive to petroleum products, the largest traded commodity. Thus the impact of large-scale drought will have dramatic impact on the petroleum prices as well as on food prices. USDA's World Agricultural Outlook Board (WAOB) serves as a focal point for economic intelligence and the commodity outlook for U.S. WAOB depends on Drought Monitor and has emphatically stated that accurate and timely data are needed in operational agrometeorological services to generate reliable projections for agricultural decision makers. Thus, improvements in the prediction of drought will reflect in early and accurate assessment of crop yields, which in turn will improve commodity projections. We have developed a drought assessment tool, which accounts for the water stress in the context of crop phenology. The crop modeling component is done using various crop modules within Decision Support System for Agrotechnology Transfer (DSSAT). DSSAT is an agricultural crop simulation system, which integrates the effects of soil, crop phenotype, weather, and management options. It has been in use for more than 15 years by researchers, growers and has become a de-facto standard in crop modeling communities spanning over 100 countries. The meteorological forcings to DSSAT are provided by NASA s National Land Data Assimilation System (NLDAS) datasets. NLDAS is a framework that incorporates atmospheric forcing and land parameter values along with land surface models to diagnose and predict the state of the land surface.

Limaye, Ashutosh↗

Designing an Optimal Ensemble Strategy for GMAO S2S Forecast System

GMAO Sub/Seasonal prediction system (S2S) is being readied for a major upgrade to GEOS-S2S Version 3. An important factor in successful extended range forecast is the definition of an ensemble For initialization of the ensemble we propose a combination of lagged and burst initial conditions. We plan to run a relatively large ensemble of 40 members for sub-seasonal forecast (up to 3 months), at which point we sub-sample the ensemble, and continue the forecast with 10 members (up to 12 months). Here we present the results of the extensive testing of various ways to generate the perturbations to the initial conditions and the validation of the stratified sampling strategy we chose.To generate perturbations for the burst ensemble members we used scaled differences of pairs of analysis states separated by 1-10 days, randomly chosen from a corresponding season. We considered perturbing separately only the atmospheric fields or only the ocean or both of the forecast initial conditions. Considering varying separation times between the analysis states, we were able to produce perturbations sampling various modes of variability. Focusing on the ENSO SST indices, we found that all types of perturbations are important for the ensemble spread.Our ensemble size for sub-seasonal forecasts was determined as to maximize the skill of predicting some of the leading modes of boreal winter atmospheric modes, NAO, PNA and AO. It is not feasible to run equally large ensemble for seasonal forecasts. Using a stratified sampling procedure we can identify the emerging directions of error growth. By comparing the stratified ensemble with randomly sampled ensemble of the same size, we were able to show that the former better estimates the mean of the original large ensemble.

Borovikov, Anna↗