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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
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NASA NTRS2020

Underlying Fundamentals of Kalman Filtering for River Network Modeling

The grand challenge of producing hydrometeorological estimates every time and everywhere has motivated the fusion of sparse observations with dense numerical models, with a particular interest on discharge in river modeling. Ensemble methods are largely preferred as they enable the estimation of error properties, but at the expense of computational load and generally with underestimations. These imperfect stochastic estimates motivate the use of correction methods, that is, error localization and inflation, although the physical justifications for their optimality are limited. The purpose of this study is to use one of the simplest forms of data assimilation when applied to river modeling and reveal the underlying mechanisms impacting its performance. Our framework based on assimilating daily averaged in situ discharge measurements to correct daily averaged runoff was tested over a 4-yr case study of two rivers in Texas. Results show that under optimal conditions of inflation and localization, discharge simulations are consistently improved such that the mean values of Nash–Sutcliffe efficiency are enhanced from211.32 to 0.55 at observed gauges and from212.24 to21.10 at validation gauges. Yet, parameters controlling the inflation and the localization have a large impact on the performance. Further investigations of these sensitivities showed that optimal inflation occurs when compensating exactly for discrepancies in the magnitude of errors while optimal localization matches the distance traveled during one assimilation window. These results may be applicable to more advanced data assimilation methods as well as for larger applications motivated by upcoming river-observing satellite missions, such as NASA’s Surface Water and Ocean Topography mission.

Streamflow↗
NASA NTRS2023

The Impact of ENSO and NAO Initial Conditions and Anomalies on the Modeled Response to Pinatubo-Sized Volcanic Forcing

Strong, strato-volcanic eruptions are a substantial, intermittent source of natural climate variability. Initial atmospheric and oceanic conditions, such as El Niño Southern Oscillation (ENSO) and the North Atlantic Oscillation (NAO), also naturally impact climate on interannual timescales. We examine how initial conditions of ENSO and NAO contribute to the evolution of climate in the period following a Pinatubo-type eruption using a large (81-member) ensemble of model simulations in GISS model E2.1-G. Simulations are initialized from sampled conditions of ENSO and NAO using the protocol of the coordinated CMIP6 Volcanic Model Intercomparison Project (VolMIP) – where aerosols are forced with respect to time, latitude, and height. We analyze paired anomalous variations (perturbed – control) to understand changes in global and regional climate responses under positive, negative, and neutral ENSO and NAO conditions. In particular, we find that for paired anomalies there is a high probability of strong (∼1.5 °C) warming of northern Eurasia surface air temperature in the first winter after the volcanic eruption for negative NAO ensembles coincident with decreased lower stratospheric temperature at the poles, decreased geopotential height, and strengthening of the stratospheric polar vortex. Climate anomalies (relative to average conditions across the control period), however, show no mean warming and suggest that the strength of this response is impacted by conditions present in the selected period of the control run. Again using paired anomalies, we also observe that under both +ENSO and −ENSO ensembles sea surface temperature decreases in the first post-eruptive boreal winter coinciding with surface cooling from volcanic aerosols. Neutral ENSO ensembles, on the other hand, show variability in their response with no clear trend in post-eruptive warming or cooling. In general, paired anomalies from unperturbed simulations give insight into the evolution of the climate response to volcanic forcing; however, when compared with anomalies from climatological conditions, it is clear that paired anomalies are significantly affected by sampled initial conditions occurring at the time of the volcanic eruption.

volcanic eruptions↗
NASA NTRS2023

Importance of Internal Variability for Climate Model Assessment

Benchmarking climate model simulations against observations of the climate is core to the process of building realistic climate models and developing accurate future projections. However, in many cases, models do not match historical observations, particularly on regional scales. If there is a mismatch between modeled and observed climate features, should we necessarily conclude that our models are deficient? Using several illustrative examples, we emphasize that internal variability can easily lead to marked differences between the basic features of the model and observed climate, even when decades of model and observed data are available. This can appear as an apparent failure of models to capture regional trends or changes in global teleconnections, or simulation of extreme events. Despite a large body of literature on the impact of internal variability on climate, this acknowledgment has not yet penetrated many model evaluation activities, particularly for regional climate. We emphasize that using a single or small ensemble of simulations to conclude that a climate model is in error can lead to premature conclusions on model fidelity. A large ensemble of multidecadal simulations is therefore needed to properly sample internal climate variability in order to robustly identify model deficiencies and convincingly demonstrate progress between generations of climate models.

Climate and Earth system modelling↗
NASA NTRS1991

Evaluation of cloudiness parameterizations using a cumulus ensemble model

Diagnostic cloudiness parameterizations in large-scale models are evaluated by using a two-dimensional numerical cumulus ensemble model. The model covers a large horizontal domain (512 km) but resolves individual clouds. This study explores the dependence of diagnostic relations (between cloud amount and a large-scale variable) on cloud regime, horizontal averaging distance, and cloud type for tropical convective cloud regimes. Large-scale variables, including relative humidity, cumulus mass flux, large-scale vertical velocity and surface precipitation rate, are examined. It is shown that the total cloud amount can be better estimated as the sum of separate estimates of stratiform and convective cloud amounts using different large-scale variables than by an estimate of the total cloud amount using any single large-scale variable. The stratiform cloud amount can best be estimated by using relative humidity. The convective cloud amount can be diagnosed by using cumulus mass flux. Neither set of diagnostic relations depends significantly on the stimulated cloud regime or horizontal averaging distance, but other diagnostic relations do show some such dependence. These results are interpreted and their implications for cloudiness parameterization are discussed.

Xu, Kuan-Man↗
DOE OSTI2020

A joint role for forced and internally-driven variability in the decadal modulation of global warming

Despite the observed monotonic increase in greenhouse-gas concentrations, global mean temperature displays important decadal fluctuations typically attributed to both external forcing and internal variability. Here, we provide a robust quantification of the relative contributions of anthropogenic, natural, and internally-driven decadal variability of global mean sea surface temperature (GMSST) by using a unique dataset consisting of 30-member large initial-condition ensembles with five Earth System Models (ESM-LE). We present evidence that a large fraction (~29–53%) of the simulated decadal-scale variance in individual timeseries of GMSST over 1950–2010 is externally forced and largely linked to the representation of volcanic aerosols. Comparison with the future (2010–2070) period suggests that external forcing provides a source of additional decadal-scale variability in the historical period. Given the unpredictable nature of future volcanic aerosol forcing, it is suggested that a large portion of decadal GMSST variability might not be predictable.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2020

Ensemble Methodologies for Astronaut Cancer Risk Assessment in the face of Large Uncertainties

A new approach to NASA space radiation risk modeling has successfully extended the current NASA probabilistic cancer risk model to an ensemble framework able to consider sub-model parameter uncertainty (e.g. uncertainty in a radiation quality parameter) as well as model-form uncertainty associated with differing theoretical or empirical formalisms (e.g. combined dose-rate and radiation quality effects). Ensemble methodologies are already widely used in weather prediction, modeling of infectious disease outbreaks, and certain terrestrial radiation protection applications to better understand how uncertainty may influence risk decision-making. Applying ensemble methodologies to space radiation risk projections offers the potential to efficiently incorporate emerging research results, allow for the incorporation of future (including international) models, improve uncertainty quantification for underlying sub-models developed against sparse experimental data, and reduce the impact of subjective bias on risk projections. Moreover, risk forecasting across an ensemble of multiple predictive models can provide stakeholders additional information on risk acceptance if current health/medical standards cannot be met or the level of knowledge doesn’t permit a specific risk or exposure limit to be developed for future space exploration missions. In this work, ensemble risk projections implementing multiple sub-models of radiation quality, dose and dose-rate effectiveness factors, excess risk, and latency as ensemble members are presented. Initial consensus methods for ensemble model weights and correlations to account for individual model bias are discussed. In these analyses, the ensemble forecast compares well to results from NASA's current operational cancer risk projection model used to assess permissible exposure limits and permissible mission durations for astronauts. However, a large range of projected risk values are obtained at the upper 95th confidence level where models must extrapolate beyond available biological data sets; closer agreement is seen at the median + one sigma due to the inherent similarities in available models. Future work, including the addition of new models and methods for statistical correlation between predictive members are discussed to define alternate ways of thinking about risk and ‘acceptable’ uncertainty with respect to NASA’s current permissible exposure limits.

space radiation↗
DOE OSTI2020

Curvature perturbations from stochastic particle production during inflation

We calculate the curvature power spectrum sourced by spectator fields that are excited repeatedly and non-adiabatically during inflation. In the absence of detailed information of the nature of spectator field interactions, we consider an ensemble of models with intervals between the repeated interactions and interaction strengths drawn from simple probabilistic distributions. We show that the curvature power spectra of each member of the ensemble shows rich structure with many features, and there is a large variability between different realizations of the same ensemble. Such features can be probed by the cosmic microwave background (CMB) and large scale structure observations. They can also have implications for primordial black hole formation and CMB spectral distortions. The geometric random walk behavior of the spectator field allows us to calculate the ensembleaveraged power spectrum of curvature perturbations semi-analytically. For sufficiently large stochastic sourcing, the ensemble averaged power spectrum shows a scale dependence arising from the time spent by modes outside the horizon during the period of particle production, in spite of there being no preferred scale in the underlying model. We find that the magnitude of the ensemble-averaged power spectrum overestimates the typical power spectra in the ensemble because the ensemble distribution of the power spectra is highly non-Gaussian with fat tails.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Multimodel ensemble predictions of precipitation using bayesian neural networks

Multimodel ensembling improves predictions and considers model uncertainties. In this study, we present a Bayesian Neural Network (BNN) ensemble approach for large-scale precipitation predictions based on a set of climate models. BNN infers spatiotemporally varying model weights and biases through the calibration against observations. This ensemble scheme of BNN sufficiently leverages individual model skill for accurate predictions as well as provides interpretability about which models contribute more to the ensemble prediction at which locations and times to inform model development. Additionally, BNN accurately quantifies epistemic uncertainty to avoid overconfident projections. We demonstrate BNN’s superior prediction performance to three state-of-the-art ensemble approaches and discuss its interpretability and uncertainty quantification.

Fan, Patrick↗
DOE OSTI2022

Multimodel Ensemble Predictions of Precipitation using Bayesian Neural Networks

Multimodel ensembling improves predictions and considers model uncertainties. In this study, we present a Bayesian Neural Network (BNN) ensemble approach for large-scale precipitation predictions based on a set of climate models. BNN infers spatiotemporally varying model weights and biases through the calibration against observations. This ensemble scheme of BNN sufficiently leverages individual model skill for accurate predictions as well as provides interpretability about which models contribute more to the ensemble prediction at which locations and times to inform model development. Additionally, BNN accurately quantifies epistemic uncertainty to avoid overconfident projections. We demonstrate BNN’s superior prediction performance to three state-of-the-art ensemble approaches and discuss its interpretability and uncertainty quantification.

Fan, Patrick↗
NASA NTRS2008

Application of an Ensemble Smoother to Precipitation Assimilation

Assimilation of precipitation in a global modeling system poses a special challenge in that the observation operators for precipitation processes are highly nonlinear. In the variational approach, substantial development work and model simplifications are required to include precipitation-related physical processes in the tangent linear model and its adjoint. An ensemble based data assimilation algorithm "Maximum Likelihood Ensemble Smoother (MLES)" has been developed to explore the ensemble representation of the precipitation observation operator with nonlinear convection and large-scale moist physics. An ensemble assimilation system based on the NASA GEOS-5 GCM has been constructed to assimilate satellite precipitation data within the MLES framework. The configuration of the smoother takes the time dimension into account for the relationship between state variables and observable rainfall. The full nonlinear forward model ensembles are used to represent components involving the observation operator and its transpose. Several assimilation experiments using satellite precipitation observations have been carried out to investigate the effectiveness of the ensemble representation of the nonlinear observation operator and the data impact of assimilating rain retrievals from the TMI and SSM/I sensors. Preliminary results show that this ensemble assimilation approach is capable of extracting information from nonlinear observations to improve the analysis and forecast if ensemble size is adequate, and a suitable localization scheme is applied. In addition to a dynamically consistent precipitation analysis, the assimilation system produces a statistical estimate of the analysis uncertainty.

Zhang, Sara↗
DOE OSTI2021

Changes in Annual Extremes of Daily Temperature and Precipitation in CMIP6 Models

This study presents an analysis of daily temperature and precipitation extremes with return periods ranging from 2 to 50 years in phase 6 of the Coupled Model Intercomparison Project (CMIP6) multimodel ensemble of simulations. Judged by similarity with reanalyses, the new-generation models simulate the present-day temperature and precipitation extremes reasonably well. In line with previous CMIP simulations, the new simulations continue to project a large-scale picture of more frequent and more intense hot temperature extremes and precipitation extremes and vanishing cold extremes under continued global warming. Changes in temperature extremes outpace changes in global annual mean surface air temperature (GSAT) over most landmasses, while changes in precipitation extremes follow changes in GSAT globally at roughly the Clausius–Clapeyron rate of ~7% °C –1 . Changes in temperature and precipitation extremes normalized with respect to GSAT do not depend strongly on the choice of forcing scenario or model climate sensitivity, and do not vary strongly over time, but with notable regional variations. Over the majority of land regions, the projected intensity increases and relative frequency increases tend to be larger for more extreme hot temperature and precipitation events than for weaker events. To obtain robust estimates of these changes at local scales, large initial-condition ensemble simulations are needed. Appropriate spatial pooling of data from neighboring grid cells within individual simulations can, to some extent, reduce the needed ensemble size.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Toward electron temperature profiles in hot-dense plasmas from x-ray spectral ensembles

High repetition rate laser systems enable new strategies for diagnosing plasma behavior with large datasets. Here, we define an ensemble technique that relies on randomized targeting of x-ray tracer micro-stripes. On each shot, a high-intensity laser pulse is focused on a solid target with Ti tracer stripes embedded in an Al foil, randomly targeting a micro-stripe, a portion of a stripe, or a gap between stripes. High-resolution, time-integrated x-ray spectrometers capture line emission from the portion of the micro-stripe that is heated to sufficiently high electron temperatures. Accumulation of many such cases is used to construct ensemble distributions of x-ray line intensities that encompass all relative offsets of the laser focus to the micro-stripe centers. Synthetic intensity distributions are likewise generated using collisional-radiative modeling. Bayesian fitting of modeled to measured intensity distributions establishes the most likely radial temperature profiles, enabling comparison to hydrodynamic models and calling into question the cylindrical symmetry of these micro-stripe-embedded systems. Ensemble techniques have significant potential for high-energy-density plasma diagnostics, especially with the advent of high repetition rate experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Ettringite hysteresis under sorption from molecular simulations

Highlights: • Hybrid Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations are performed. • Anisotropic large strain coefficient of crystal shrinkage of ettringite is provided. • Entropy increases when ettringite converts into metaettringite. • Sorption-induced stress may lead to columns collapse upon drying. • H-bonds involving OH groups in columns play a role in hysteresis. The response of ettringite under sorption is critical for the utilization of this mineral as an energy storage material and to understand the concrete durability problems associated with ettringite formation. We report molecular simulations directly sampling the osmotic ensemble to understand the sorption processes and structural changes in ettringite-metaettringite transition. Desorption branch and sorption-induced volume changes from simulations agree with the experiments. The structural changes at low relative humidity are analyzed, revealing for the first time details of metaettringite structure. The reversibility under sorption observed experimentally is captured by simulation in the ettringite domain. The reversibility in the conversion of metaettringite into ettringite is not captured by the direct simulations in the osmotic ensemble due to the large volume changes associated with ettringite desorption. Finally, we discuss the role of hydrogen bonds on the hysteresis in ettringite.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The first ensemble of kilometer-scale simulations of a hydrological year over the third pole

An accurate understanding of the current and future water cycle over the Third Pole is of great societal importance, given the role this region plays as a water tower for densely populated areas downstream. An emerging and promising approach for skillful climate assessments over regions of complex terrain is kilometer-scale climate modeling. As a foundational step towards such simulations over the Third Pole, we present a multi-model and multi-physics ensemble of kilometer-scale regional simulations for the hydrological year of October 2019 to September 2020. The ensemble consists of 13 simulations performed by an international consortium of 10 research groups, configured with a horizontal grid spacing ranging from 2.2 to 4 km covering all of the Third Pole region. These simulations are driven by ERA5 and are part of a Coordinated Regional Climate Downscaling EXperiment Flagship Pilot Study on Convection-Permitting Third Pole. The simulations are compared against available gridded and in-situ observations and remote-sensing data, to assess the performance and spread of the model ensemble compared to the driving reanalysis during the cold and warm seasons. Although ensemble evaluation is hindered by large differences between the gridded precipitation datasets used as a reference over this region, we show that the ensemble improves on many warm-season precipitation metrics compared with ERA5, including most wet-day and hour statistics, and also adds value in the representation of wet spells in both seasons. As such, the ensemble will provide an invaluable resource for future improvements in the process understanding of the hydroclimate of this remote but important region.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2019

Mid-Latitude Freshwater Availability Reduced by Projected Vegetation Responses to Climate Change

Plants are expected to generate more global-scale runoff under increasing atmospheric carbon dioxide concentrations through their influence on surface resistance to evapotranspiration. Recent studies using Earth System Models from phase 5 of the Coupled Model Intercomparison Project ostensibly reaffirm this result, further suggesting that plants will ameliorate the dire reductions in water availability projected by other studies that use aridity metrics. Here we complicate this narrative by analysing the change in precipitation partitioning to plants, runoff and storage in multiple Earth system models under both high carbon dioxide concentrations and warming. We show that projected plant responses directly reduce future runoff across vast swaths of North America, Europe and Asia because bulk canopy water demands increase with additional vegetation growth and longer and warmer growing seasons. These runoff declines occur despite increased surface resistance to evapotranspiration and vegetation total water use efficiency, even in regions with increasing or unchanging precipitation. We demonstrate that constraining the large uncertainty in the multimodel ensemble with regional-scale observations of evapotranspiration partitioning strengthens these results. We conclude that terrestrial vegetation plays a large and unresolved role in shaping future regional freshwater availability, one that will not ubiquitously ameliorate future warming-driven surface drying.

Mankin, Justin S.↗
DOE OSTI2020

AdS 3 wormholes from a modular bootstrap

In recent work we computed the path integral of three-dimensional gravity with negative cosmological constant on spaces which are topologically a torus times an interval. Here we employ a modular bootstrap to show that the amplitude is completely fixed by consistency conditions and a few basic inputs from gravity. This bootstrap is notably for an ensemble of CFTs, rather than for a single instance. We also compare the 3d gravity result with the Narain ensemble. The former is well-approximated at low temperature by a random matrix theory ansatz, and we conjecture that this behavior is generic for an ensemble of CFTs at large central charge with a chaotic spectrum of heavy operators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Level density within a micro-macroscopic approach

Statistical level density $ρ$($E, A$) is derived for nucleonic system with a given energy $E$, particle number $A$ and other integrals of motion in the micro-macroscopic approximation beyond the standard saddle-point method of the Fermi gas model. This level density reaches the two limits; the well-known Fermi gas grand-canonical ensemble limit for a large entropy $S$ related to large excitation energies, and the finite micro-canonical limit for a small combinatorical entropy $S$ at low excitation energies. In conclusion, the inverse level density parameter $K$ as function of the particle number $A$ in the semiclassical periodic orbit theory, taking into account the extended Thomas-Fermi and Strutinsky shell corrections, is calculated and compared with experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Scalable Quantum Monte Carlo Method for Polariton Chemistry via Mixed Block Sparsity and Tensor Hypercontraction Method

We present a reduced-scaling auxiliary-field quantum Monte Carlo (AFQMC) framework designed for large molecular systems and ensembles, with or without coupling to optical cavities. Our approach leverages the natural block sparsity of the Cholesky decomposition (CD) of electron repulsion integrals in molecular ensembles and employs tensor hypercontraction (THC) to efficiently compress low-rank Cholesky blocks. By representing the Cholesky vectors in a mixed format, keeping high-rank blocks in block-sparse form and compressing low-rank blocks with THC, we reduce the scaling of exchange-energy evaluation from quartic to robust cubic in the number of molecular orbitals N, while lowering memory from cubic toward quadratic. Benchmark analyses on one-, two-, and three-dimensional molecular ensembles (up to ∼1,200 orbitals) show that (a) the number of nonzeros in Cholesky tensors grows linearly with system size across dimensions; (b) the average numerical rank increases sublinearly and does not saturate at these sizes; and (c) rank heterogeneity─some blocks nearly full rank and many low rank, naturally motivates the proposed mixed block sparsity and THC scheme for efficient calculation of exchange energy. In conclusion, we demonstrate that the mixed scheme yields cubic wall-time scaling with favorable prefactors and preserves AFQMC accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗