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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Implementation of stacked ensemble machine learning for the detection of surrogate plutonium contamination in soil via LIBS

Supervised machine learning methods have demonstrated increased utility for the quantification of lanthanide and actinide elements in atomic spectroscopy applications. This study implements laser-induced breakdown spectroscopy (LIBS) for the identification of plutonium surrogate material (CeO 2 ) in soil matrices by training supervised machine learning methods on the recorded spectral data. A bagged ensemble using Random Forest yields the highest sensitivity predictions with a detection limit of 0.015 wt.% CeO 2 . However, high precision in Ce content prediction required the use of a stacked ensemble regression, which provided the superlative Ce quantification model with an error of 0.107% and a detection limit of 0.022 wt.%. Furthermore, the high performance of the stacked ensemble demonstrates its potential to enhance the accuracy and sensitivity of nuclear contaminant detection using field-deployable spectroscopic analyzers in real-world scenarios.

47 OTHER INSTRUMENTATION↗
NASA NTRS2013

Impacts of Atmosphere-Ocean Coupling on Southern Hemisphere Climate Change

Climate in the Southern Hemisphere (SH) has undergone significant changes in recent decades. These changes are closely linked to the shift of the Southern Annular Mode (SAM) towards its positive polarity, which is driven primarily by Antarctic ozone depletion. There is growing evidence that Antarctic ozone depletion has significant impacts on Southern Ocean circulation change. However, it is poorly understood whether and how ocean feedback might impact the SAM and climate change in the SH atmosphere. This outstanding science question is investigated using the Goddard Earth Observing System Coupled Atmosphere-Ocean-Chemistry Climate Model(GEOS-AOCCM).We perform ensemble simulations of the recent past (1960-2010) with and without the interactive ocean. For simulations without the interactive ocean, we use sea surface temperatures and sea ice concentrations produced by the interactive ocean simulations. The differences between these two ensemble simulations quantify the effects of atmosphere-ocean coupling. We will investigate the impacts of atmosphere-ocean coupling on stratospheric processes such as Antarctic ozone depletion and Antarctic polar vortex breakup. We will address whether ocean feedback affects Rossby wave generation in the troposphere and wave propagation into the stratosphere. Another focuson this study is to assess how ocean feedback might affect the tropospheric SAM response to Antarctic ozone depletion

Chemistry-Climate Modeling↗
NASA NTRS2018

Synergy of Observations and Dynamo Models to Understand and Predict Solar Activity Cycles

The long-standing problem of understanding the evolution of the global magnetic fields that drive solar activity through different temporal scales is becoming more tractable because, in addition to 400 years of sunspot records, we now have almost 4 solar cycles of magnetic field observations. These observations allow us to discern physical connections between dynamo model variables and observations using data assimilation analysis. In particular, the Ensemble Kalman Filter approach takes into account uncertainties in both observations and modeling and allows us to make reliable forecasts of solar cycle activity cycles by using a relatively simple non-linear dynamical model of the solar dynamo. To expand this approach for more complex 2D and 3D dynamo modeling, it is necessary to decompose the observed synoptic magnetograms into poloidal and toroidal field components. In this presentation I will present initial results on magnetogram decomposition and assimilation of magnetogram data into dynamo modeling.

Synergy↗
NASA NTRS2018

Synergy of Observations and Dynamo Models to Understand and Predict Solar Activity Cycles

The long-standing problem of understanding the evolution of the global magnetic fields that drive solar activity through different temporal scales is becoming more tractable because, in addition to 400 years of sunspot records, we now have almost 4 solar cycles of magnetic field observations. These observations allow us to discern physical connections between dynamo model variables and observations using data assimilation analysis. In particular, the Ensemble Kalman Filter approach takes into account uncertainties in both observations and modeling and allows us to make reliable forecasts of solar cycle activity by using a relatively simple non-linear dynamical model of the solar dynamo. To expand this approach for more complex 2D and 3D dynamo modeling, it is necessary to decompose the observed synoptic magnetograms into poloidal and toroidal field components. In this presentation I will present initial results on magnetogram decomposition and assimilation of magnetogram data into dynamo modeling.

Kitiashvili, Irina N.↗
DOE OSTI2024

Mapping the global distribution of C 4 vegetation using observations and optimality theory

Plants with the C 4 photosynthesis pathway typically respond to climate change differently from more common C 3 -type plants, due to their distinct anatomical and biochemical characteristics. These different responses are expected to drive changes in global C 4 and C 3 vegetation distributions. However, current C 4 vegetation distribution models may not predict this response as they do not capture multiple interacting factors and often lack observational constraints. Here, we used global observations of plant photosynthetic pathways, satellite remote sensing, and photosynthetic optimality theory to produce an observation-constrained global map of C 4 vegetation. We find that global C 4 vegetation coverage decreased from 17.7% to 17.1% of the land surface during 2001 to 2019. This was the net result of a reduction in C 4 natural grass cover due to elevated CO 2 favoring C 3 -type photosynthesis, and an increase in C 4 crop cover, mainly from corn (maize) expansion. Using an emergent constraint approach, we estimated that C 4 vegetation contributed 19.5% of global photosynthetic carbon assimilation, a value within the range of previous estimates (18–23%) but higher than the ensemble mean of dynamic global vegetation models (14 ± 13%; mean ± one standard deviation). Our study sheds insight on the critical and underappreciated role of C 4 plants in the contemporary global carbon cycle.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2011

Global Assimilation of Multi-Sensor Snow Observations for Improved Characterization of Snow Processes

Snow conditions on the land surface are recognized to be key components of the global hydrological cycle as they play a critical role in the determination of local and regional climate. In many mid-latitude and high-latitude regions, the seasonal water storage and associated spring snowmelt dominate the local hydrology. The contribution to the runoff and moisture conditions from snow is vital in supporting agriculture and in determining water resources management practices. Consequently, accurate characterization of snow properties becomes important for both end-use applications and weather and climate research. Recently a joint effort between the u.S. Air Force and NASA has enabled a blended, multi-sensor snow product known as the AFWA NASA Snow Algorithm (ANSA). This global snow dataset has been generated by utilizing the Earth Observation System (EOS) Moderate Resolution Imaging Spectroradiometer (MODIS) and Advanced Microwave Scanning Radiometer for EOS (AMSR-E) datasets. ANSA product includes estimates of snow cover extent, snow water equivalent (SWE) and SWE-derived snow depth fields. The MODIS-based products enable snow cover mappings under cloud-free conditions whereas the passive microwave data from AMSR-E provides measurements under cloudy conditions. These remotely-sensed snow observations are further augmented with the information from ground-based snow measurements through data fusion techniques. The resulting ANSA products are employed in the NASA Land Information System (LIS) data assimilation framework, which provides a comprehensive environment for integrating community land surface models, ground and satellite-based observations, and ensemble-based data assimilation tools. LIS incorporates the multisensor ANSA snow retrievals with the land surface model estimates to generate spatially and temporally continuous estimates of snow states, through data assimilation. A suite of experiments to assimilate ANSA snow cover, SWE and snow depth estimates with different land surface models in LIS are conducted and the resulting estimates of snow conditions are evaluated against a number of in-situ observational datasets, over several regions of the world. These evaluations are used to compare and contrast the advantages and disadvantages of these multi-sensor snow observations.

Kumar, Sujay↗
DOE OSTI2020

Differential credibility assessment for statistical downscaling

Climate science is increasingly using (i) ensembles of climate projections from multiple models derived using different assumptions and/or scenarios and (ii) process-oriented diagnostics of model fidelity. Efforts to assign differential credibility to projections and/or models are also rapidly advancing. A framework to quantify and depict the credibility of statistically downscaled model output is presented and demonstrated. Here, the approach employs transfer functions in the form of robust and resilient generalized linear models applied to downscale daily minimum and maximum temperature anomalies at 10 locations using predictors drawn from ERA-Interim reanalysis and two global climate models (GCM; GFDL-ESM2M and MPI-ESM-LR). The downscaled time series are used to derive several impact relevant CLIMDEX temperature indices that are assigned credibility based on (1) the reproduction of relevant large-scale predictors by the GCMs (i.e. fraction of regression beta-weights derived from predictors that are well-reproduced) and (2) the degree of variance in the observations reproduced in the downscaled series following application of a new variance inflation technique. Credibility of the downscaled predictands varies across locations, between the two GCM and is generally higher for minimum temperature than maximum temperature. The differential credibility assessment framework demonstrated here is easy to use and flexible. It can be applied as is to inform decision makers regarding projection confidence, and/or extended to include other components of the transfer functions, and/or used to weight members of a statistically downscaled ensemble.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2013

An Assessment of the Skill of GEOS-5 Seasonal Forecasts

The seasonal forecast skill of the NASA Global Modeling and Assimilation Office coupled global climate model (CGCM) is evaluated based on an ensemble of 9-month lead forecasts for the period 1993 to 2010. The results from the current version (V2) of the CGCM consisting of the GEOS-5 AGM coupled to the MOM4 ocean model are compared with those from an earlier version (V1) in which the AGCM (the NSIPP model) was coupled to the Poseidon Ocean Model. It was found that the correlation skill of the Sea Surface Temperature (SST) forecasts is generally better in V2, especially over the sub-tropical and tropical central and eastern Pacific, Atlantic, and Indian Ocean. Furthermore, the improvement in skill in V2 mainly comes from better forecasts of the developing phase of ENSO from boreal spring to summer. The skill of ENSO forecasts initiated during the boreal winter season, however, shows no improvement in terms of correlation skill, and is in fact slightly worse in terms of root mean square error (RMSE). The degradation of skill is found to be due to an excessive ENSO amplitude. For V1, the ENSO amplitude is too strong in forecasts starting in boreal spring and summer, which causes large RMSE in the forecast. For V2, the ENSO amplitude is slightly stronger than that in observations and V1 for forecasts starting in boreal winter season. An analysis of the terms in the SST tendency equation, shows that this is mainly due to an excessive zonal advective feedback. In addition, V2 forecasts that are initiated during boreal winter season, exhibit a slower phase transition of El Nino, which is consistent with larger amplitude of ENSO after the ENSO peak season. It is found that this is due to weak discharge of equatorial Warm Water Volume (WWV). In both observations and V1, the discharge of equatorial WWV leads the equatorial geostrophic easterly current so as to damp the El Nino starting in January. This process is delayed by about 2 months in V2 due to the slower phase transition of the equatorial zonal current from westerly to easterly.

GMAO↗
NASA NTRS2020

Designing an Optimal Ensemble Strategy for GMAO S2S Forecast System

The NASA Global Modeling and Assimilation Office (GMAO) Sub-seasonal to Seasonal (S2S) prediction system is being readied for a major upgrade. An important factor in successful extended range forecasting is the definition of the ensemble. Our overall strategy is to run a relatively large ensemble of about 40 members up to 3 months (focusing on the sub-seasonal forecast problem), after which we sub-sample the ensemble, and continue the forecast with about 10 members (up to 12 months). Here we present the results of our testing of various ways to generate the initial perturbations and the validation of a stratified sampling approach for choosing the members of the smaller ensemble. For the initialization of the ensemble we propose a combination of lagged and burst initial conditions. To generate perturbations for the burst ensemble members we used scaled differences of pairs of analysis states (chosen randomly from the corresponding season) separated by 1-10 days. We consider perturbing separately the atmosphere and the ocean, or both. By varying the separation times between the analysis states, we are able to produce perturbations that resemble well-known modes of variability. Focusing on the ENSO SST indices, we found that all types of perturbations are important for the ensemble spread with, however, considerable differences in the timing of the impacts on spread for the atmospheric and oceanic perturbations.Our initial (larger) ensemble size was determined so as to maximize the skill of predicting some of the leading modes of boreal winter atmospheric modes (namely the NAO, PNA and AO). Since it is not feasible for us to run with the larger ensemble beyond about 3 months, we employ a stratified sampling procedure that identifies the emerging directions of error growth to subset the ensemble. By comparing the results from the stratified ensemble with that of the randomly sampled ensemble of the same size, we find that the former provides substantially better estimates the mean of the original large ensemble.

Borovikov, Anna↗
DOE OSTI2020

The ongoing need for high-resolution regional climate models: Process understanding and stakeholder information

Regional climate modeling addresses our need to understand and simulate climatic processes and phenomena unresolved in global models. High resolution models are generally more skillful in simulating extremes, such as heavy precipitation, strong winds, and severe storms. In addition, research has shown that fine-scale features such as mountains, coastlines, lakes, irrigation, land use, and urban heat islands can substantially influence a region’s climate and its response to changing forcings. Regional climate simulations explicitly simulating convection are now being performed, providing an opportunity to illuminate new physical behavior that previously was represented by parameterizations with large uncertainties. Regional and global models are both advancing toward higher resolution, as computational capacity increases. However, the resolution and ensemble size necessary to produce a sufficient statistical sample of these processes in global models has proven too costly for contemporary supercomputing systems. Regional climate models are thus indispensable tools that complement global models for understanding regional climate variability and change, and are critical for supporting societal responses to changing climate.

Gutowski, William↗
DOE OSTI2021

A Hybrid Climate Modeling System Using AI-assisted Process Emulators

This white paper addresses Focus Area II. We advocate developing a hybrid modeling system to improve the understanding of decadal- and longer-scale predictability of high impact water cycle components. This hybrid model combines a partial differential equation (PDE)-based dynamic core with AI/ML based emulators to represent many of the computationally expensive processes in Earth’s climate models. The hybrid modeling system has the potential to exploit emerging graphics processing unit (GPU)-accelerated architectures and allows for the generation of large ensemble (~1000’s) simulations to better characterize the model uncertainty and understand predictability.

58 GEOSCIENCES↗
DOE OSTI2023

A baseline for ensemble-based, time-resolved inflow reconstruction for a single turbine using large-eddy simulations and latent diffusion models

We are interested in reconstructing winds flowing through a turbine on a second-by-second basis over a 10 min window. Previously, we developed a machine learning algorithm that takes in a snapshot of wind speed measurements and generates ensembles of three-dimensional wind field estimates. Here, we use these estimates as initial conditions in large-eddy simulations and reconstruct atmospheric and turbine response dynamic quantities in a synthetic field campaign. In doing so, we establish a baseline for model validation that future time-aware data assimilation techniques will be compared to. In turbine-free case studies, ground truth wind speeds consistently fall within our estimated wind speed distribution for the first 100 s after the simulation start. In simulations with turbines, the wind estimates show a small bias of 0.10 m s 1 and good correlation of 0.80 during the first 100 s. During this window, our estimates of the Blade 1 bending moment and generator power typically span the ground truth, with the estimate of the former performing better overall. In summary, this approach shows promise as a stand-alone technique for reconstructing real-world inflow and turbine dynamics in 1-2 min windows and as a foundation for future time-aware data assimilation techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2021

Mid-Pliocene Atlantic Meridional Overturning Circulation simulated in PlioMIP2

In the Pliocene Model Intercomparison Project Phase 2 (PlioMIP2), coupled climate models have been used to simulate an interglacial climate during the mid-Piacenzian warm period (mPWP; 3.264 to 3.025 Ma). Here, we compare the Atlantic Meridional Overturning Circulation (AMOC), poleward ocean heat transport and sea surface warming in the Atlantic simulated with these models. In PlioMIP2, all models simulate an intensified mid-Pliocene AMOC. However, there is no consistent response in the simulated Atlantic ocean heat transport nor in the depth of the Atlantic overturning cell. The models show a large spread in the simulated AMOC maximum, the Atlantic ocean heat transport and the surface warming in the North Atlantic. Although a few models simulate a surface warming of ~8–12°C in the North Atlantic, similar to the reconstruction from Pliocene Research, Interpretation and Synoptic Mapping (PRISM) version 4, most models appear to underestimate this warming. The large model spread and model–data discrepancies in the PlioMIP2 ensemble do not support the hypothesis that an intensification of the AMOC, together with an increase in northward ocean heat transport, is the dominant mechanism for the mid-Pliocene warm climate over the North Atlantic.

Pliocene Model Intercomparison Project Phase 2 (Pl↗
DOE OSTI2024

Earth's record-high greenness and its attributions in 2020

Terrestrial vegetation is a crucial component of Earth's biosphere, regulating global carbon and water cycles and contributing to human welfare. Despite an overall greening trend, terrestrial vegetation exhibits a significant inter-annual variability. The mechanisms driving this variability, particularly those related to climatic and anthropogenic factors, remain poorly understood, which hampers our ability to project the long-term sustainability of ecosystem services. Here, in this work, by leveraging diverse remote sensing measurements, we pinpointed 2020 as a historic landmark, registering as the greenest year in modern satellite records from 2001 to 2020. Using ensemble machine learning and Earth system models, we found this exceptional greening primarily stemmed from consistent growth in boreal and temperate vegetation, attributed to rising CO 2 levels, climate warming, and reforestation efforts, alongside a transient tropical green-up linked to the enhanced rainfall. Contrary to expectations, the COVID-19 pandemic lockdowns had a limited impact on this global greening anomaly. Our findings highlight the resilience and dynamic nature of global vegetation in response to diverse climatic and anthropogenic influences, offering valuable insights for optimizing ecosystem management and informing climate mitigation strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning

Monolayer films have shown promise as a lubricating layer to reduce friction and wear of mechanical devices with separations on the nanoscale. These films have a vast design space with many tunable properties that can affect their tribological effectiveness. For example, terminal group chemistry, film composition, and backbone chemistry can all lead to films with significantly different tribological properties. This design space, however, is very difficult to explore without a combinatorial approach and an automatable, reproducible, and extensible workflow to screen for promising candidate films. Here, using the Molecular Simulation Design Framework (MoSDeF), a combinatorial screening study was performed to explore 9747 unique monolayer films (116 964 total simulations) and a machine learning (ML) model using a random forest regressor, an ensemble learning technique, to explore the role of terminal group chemistry and its effect on tribological effectiveness. The most promising films were found to contain small terminal groups such as cyano and ethylene. The ML model was subsequently applied to screen terminal group candidates identified from the ChEMBL small molecule library. Approximately 193 131 unique film candidates were screened with approximately a five order of magnitude speed-up in analysis compared to simulation alone. The ML model was thus able to be used as a predictive tool to greatly speed up the initial screening of promising candidate films for future simulation studies, suggesting that computational screening in combination with ML can greatly increase the throughput in combinatorial approaches to generate in silico data and then train ML models in a controlled, self-consistent fashion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Quantifying airborne fraction trends and the destination of anthropogenic CO 2 by tracking carbon flows in a simple climate model

Abstract Atmospheric carbon dioxide (CO 2 ) concentrations have increased as a direct result of human activity and are at their highest level over the last 2 million years, with profound impacts on the Earth system. However, the magnitude and future dynamics of land and ocean carbon sinks are not well understood; therefore, the amount of anthropogenic fossil fuel emissions that remain in the atmosphere (the airborne fraction) is poorly constrained. This work aims to quantify the sources and controls of atmospheric CO 2 , the fate of anthropogenic CO 2 over time, and the likelihood of a trend in the airborne fraction. We use Hector v3.0, a coupled simple climate and carbon cycle model with the novel ability to explicitly track carbon as it flows through the Earth system. We use key model parameters in a Monte Carlo analysis of 15 000 model runs from 1750 to 2300. Results are filtered for physical realism against historical observations and CMIP6 projection data, and we calculate the relative importance of parameters controlling how much anthropogenic carbon ends up in the atmosphere. Modeled airborne fraction was roughly 52%, consistent with observational studies. The overwhelming majority of model runs exhibited a negative trend in the airborne fraction from 1960–2020, implying that current-day land and ocean sinks are proportionally taking up more carbon than the atmosphere. However, the percentage of atmospheric CO 2 derived from anthropogenic origins can be much higher because of Earth system feedbacks. We find it peaks at over 90% between 2010–2050. Moreover, when looking at the destination of anthropogenic fossil fuel emissions, only a quarter ends up in the atmosphere while more than half of emissions are taken up by the land sink on centennial timescales. This study evaluates the likelihood of airborne fraction trends and provides insights into the dynamics of anthropogenic CO 2 in the Earth system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Time-dependent relaxation of observables in complex quantum systems

Abstract We consider time-dependent relaxation of observables in quantum systems of chaotic and regular type. Using statistical arguments and exact numerical solutions we show that the spread of the initial wave function in the Hilbert space and the main characteristics of evolution of observables have certain generic features. The study compares examples of regular dynamics, a completely chaotic case of the Gaussian orthogonal ensemble, a bosonic system with random interactions, and a fully realistic case of the time evolution of various initial non-stationary states in the nuclear shell model. In the case of the Gaussian orthogonal ensemble we show that the survival probability obtained analytically also fully defines the relaxation timescale of observables. This is not the case in general. Using the realistic nuclear shell model and the quadrupole moment as an observable we demonstrate that the relaxation time is significantly longer than defined by the survival probability of the initial state. The full analysis does not show the presence of an analog of the Lyapunov exponent characteristic for examples of classical chaos.

Volya, Alexander (ORCID:0000000217656466)↗
NASA NTRS1994

The evolution of voids in the adhesion approximation

We apply the adhesion approximation to study the formation and evolution of voids in the universe. Our simulations-carried out using 128(exp 3) particles in a cubical box with side 128 Mpc-indicate that the void spectrum evolves with time and that the mean void size in the standard Cosmic Background Explorer Satellite (COBE)-normalized cold dark matter (CDM) model with H(sub 50) = 1 scals approximately as bar D(z) = bar D(sub zero)/(1+2)(exp 1/2), where bar D(sub zero) approximately = 10.5 Mpc. Interestingly, we find a strong correlation between the sizes of voids and the value of the primordial gravitational potential at void centers. This observation could in principle, pave the way toward reconstructing the form of the primordialpotential from a knowledge of the observed void spectrum. Studying the void spectrum at different cosmological epochs, for spectra with a built in k-space cutoff we find that the number of voids in a representative volume evolves with time. The mean number of voids first increases until a maximum value is reached (indicating that the formation of cellular structure is complete), and then begins to decrease as clumps and filaments erge leading to hierarchical clustering and the subsequent elimination of small voids. The cosmological epoch characterizing the completion of cellular structure occurs when the length scale going nonlinear approaches the mean distance between peaks of the gravitaional potential. A central result of this paper is that voids can be populated by substructure such as mini-sheets and filaments, which run through voids. The number of such mini-pancakes that pass through a given void can be measured by the genus characteristic of an individual void which is an indicator of the topology of a given void in intial (Lagrangian) space. Large voids have on an average a larger measure than smaller voids indicating more substructure within larger voids relative to smaller ones. We find that the topology of individual voids is strongly epoch dependent, with void topologies generally simplifying with time. This means that as voids grow older they become progressively more empty and have less structure within them. We evaluate the genus measure both for individual voids as well as for the entire ensemble of voids predicted by CDM model. As a result we find that the topology of voids when taken together with the void spectrum is a very useful statistical indicator of the evolution of the structure of the universe on large scales.

Sahni, Varun↗