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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2021

Future Changes in Snowpack, Snowmelt, and Runoff Potential Extremes Over North America

Snowpack and snowmelt-driven extreme events (e.g., floods) have large societal consequences including infrastructure failures. However, it is not well understood how projected changes in the snow-related extremes differ across North America. Using dynamically downscaled regional climate model (RCM) simulations, we found that the magnitudes of extreme snow water equivalent, snowmelt, and runoff potential (RP; snowmelt plus precipitation) decrease by 72%, 73%, and 45%, respectively, over the continental United States and southern Canada but increase by up to 8%, 53%, and 41% in Alaska and northern Canada by the late 21st century. In California and the Pacific Northwest, there is a notable increase in extreme RP by 21% contrary to a decrease in snowmelt by 31% by the late century. These regions could be vulnerable to larger rain-on-snow floods in a warmer climate. Regions with a large variability among RCM ensembles are identified, which require further investigation to reduce the regional uncertainties.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2020

Ensemble PM2.5 Forecasting during the 2018 Camp Fire Event Using the HYSPLIT Transport and Dispersion Model

Biomass burning releases a vast amount of aerosols into the atmosphere, often leading to severe air quality and health problems. Prediction of the air quality effects from biomass burning emissions is challenging due to uncertainties in fire emission, plume rise calculation, and other model inputs/processes. Ensemble forecasting is increasingly used to represent model uncertainties. In this paper, an ensemble forecast was conducted to predict surface PM2.5 during the 2018 California Camp Fire event using the NOAA HYSPLIT dispersion model at 0.1- degree horizontal resolution. Different combinations of four satellite-based fire emission datasets (FEER, FLAMBE, GBBEPx and GFAS), two plume rise schemes (Briggs and Sofiev), various meteorology inputs and model setup options were used to create the forecast ensemble, for a total of 112 experiments. The performance of each ensemble member and the ensemble mean were evaluated using ground-based observations, with four statistical metrics and an overall rank. The ensemble spread of the 112 members reached 1000 μg/m3, highlighting the large uncertainty in wildfire forecast. The ensemble mean displayed the best performance. Each fire emission product contributed to one or more members among the top ten performers, revealing the forecasting dependence on both the quality of fire emissions data and model representation of emission, transport and removal processes. In addition, an ensemble size reduction technique was introduced. With the help of this technique, the ensemble size was reduced from 112 to 28 members and still produced an ensemble mean that yielded comparable or even better performance to that of the full ensemble.

Biomass Burning↗
NASA NTRS2021

Future Changes in Snowpack, Snowmelt, and Runoff Potential Extremes Over North America

Snowpack and snowmelt-driven extreme events (e.g., floods) have large societal consequences including infrastructure failures. However, it is not well understood how projected changes in the snow-related extremes differ across North America. Using dynamically downscaled regional climate model (RCM) simulations, we found that the magnitudes of extreme snow water equivalent, snowmelt, and runoff potential (RP; snowmelt plus precipitation) decrease by 72%, 73%, and 45%, respectively, over the continental United States and southern Canada but increase by up to 8%, 53%, and 41% in Alaska and northern Canada by the late 21st century. In California and the Pacific Northwest, there is a notable increase in extreme RP by 21% contrary to a decrease in snowmelt by 31% by the late century. These regions could be vulnerable to larger rain-on-snow floods in a warmer climate. Regions with a large variability among RCM ensembles are identified, which require further investigation to reduce the regional uncertainties.

Eunsang Cho↗
NASA NTRS2024

Vegetation Greening Mitigates the Impacts of Increasing Extreme Rainfall on Runoff Events

Future flood risk assessment has primarily focused on heavy rainfall as the main driver, with the assumption that projected increases in extreme rain events will lead to subsequent flooding. However, the presence of and changes in vegetation have long been known to influence the relationship between rainfall and runoff. Here, we extract historical (1850–1880) and projected (2070–2100) daily extreme rainfall events, the corresponding runoff, and antecedent conditions simulated in a prominent large Earth system model ensemble to examine the shifting extreme rainfall and runoff relationship. Even with widespread projected increases in the magnitude (78% of the land surface) and number (72%) of extreme rainfall events, we find projected declines in event-based runoff ratio (runoff/rainfall) for a majority (57%) of the Earth surface. Runoff ratio declines are linked with decreases in antecedent soil water driven by greater transpiration and canopy evaporation (both linked to vegetation greening) compared to areas with runoff ratio increases. Using a machine learning regression tree approach, we find that changes in canopy evaporation is the most important variable related to changes in antecedent soil water content in areas of decreased runoff ratios (with minimal changes in antecedent rainfall) while antecedent ground evaporation is the most important variable in areas of increased runoff ratios. Our results suggest that simulated interactions between vegetation greening, increasing evaporative demand, and antecedent soil drying are projected to diminish runoff associated with extreme rainfall events, with important implications for society.

soil moisture↗
DOE OSTI2024

Investigating SU(3) with Nf=8 fundamental fermions at strong renormalized coupling

Lattice simulations have observed a novel strong coupling symmetric mass generation (SMG) phase for the SU(3) gauge system with $N_f=8$ fundamental fermions (represented by two sets of staggered fields) at very large renormalized coupling ($g^2_{GF} \gtrsim 25$). The results of Phys.Rev.D 106 (2022) 014513 suggest that the SMG phase is separated from the weak coupling, conformal phase by a continuous phase transition, implying that the SMG phase exists in the continuum limit. To scrutinize these findings, we are generating a set of large volume zero temperature ensembles using nHYP improved staggered fermions with additional Pauli-Villars fields to tame gauge field fluctuations. We consider the low-lying meson spectrum and verify the existence of the SMG phase. Based on a finite size scaling analysis we predict that the phase transition between the strong and weak coupling phases is likely governed by a merged fixed point that is ultraviolet in the strong coupling but infrared in the weak coupling side. This finding suggests that the SU(3) 8-flavor system sits at the opening of the conformal window

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1984

The coupling between scales in shear flows

The relationship between large and small-scale motions in turbulent shear flows is studied using short-time correlation measurements. Boundary layers, plane and axisymmetric mixing layers, plane wakes, and the far fields of plane and circular jets are examined. The coupling is found to be significant in all flows. Phase reversal across the shear region is found to occur in the boundary layers and the mixing layers only. This is interpreted to mean that in these layers the streamwise extent of the large structure over which the small-scale activity reaches a peak moves from one transverse end of the large structure over which its ensemble-averaged u-fluctuation is positive to another where it is negative. In the far field of jets and wakes, the small-scale peak activity remains confined to that half of the streamwise extent of the large structure where its ensemble-averaged u-fluctuation is positive.

Bandyopadhyay, P. R.↗
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↗
DOE OSTI2024

Hyperspectral Detection of the Fluorescence Shift between Chirality-Sorted Empty and Water-Filled Single-Wall Carbon Nanotube Enantiomers

Single-wall carbon nanotubes (SWCNTs) have extraordinary electronic and optical properties that depend strongly on their exact chiral structure and their interaction with their inner and outer environment. The fluorescence (PL) of semiconducting SWCNTs, for instance, will shift depending on the molecules with which the SWCNT’s hollow core is filled. These interaction-induced shifts are challenging to resolve on the ensemble level in samples containing a mixture of different filling contents due to the relatively large inhomogeneous line width of the ensemble SWCNT PL compared to the size of these shifts. To circumvent this inhomogeneous broadening, single-tube spectroscopy and hyperspectral imaging are often applied, which until now required time-consuming statistical studies. Here, we present hyperspectral PL microscopy combined with automated SWCNT segmenting based on either principal component analysis or a convolutional neural network, capable of both spatially and spectrally resolving the PL along the length of many individual SWCNTs at the same time and automatically fitting peak positions and line widths of individual SWCNTs. The methodology is demonstrated by accurately determining the emission shifts and line widths of thousands of left- and right-handed empty and water-filled SWCNTs coated with a chiral surfactant, resulting in four statistical distributions which cannot be resolved in ensemble spectroscopy of unsorted samples. The results demonstrate a robust method to quickly probe ensemble properties with single-enantiomer spectral resolution. Moreover, it promises to be an absolute quantitative method to characterize the relative abundances of SWCNTs with different handedness or filling content in macroscopic samples, simply by counting individual species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Statistical properties of a cloud ensemble - A numerical study

The statistical properties of cloud ensembles under a specified large-scale environment, such as mass flux by cloud drafts and vertical velocity as well as the condensation and evaporation associated with these cloud drafts, are examined using a three-dimensional numerical cloud ensemble model described by Soong and Ogura (1980) and Tao and Soong (1986). The cloud drafts are classified as active and inactive, and separate contributions to cloud statistics in areas of different cloud activity are then evaluated. The model results compare well with results obtained from aircraft measurements of a well-organized ITCZ rainband that occurred on August 12, 1974, during the Global Atmospheric Research Program's Atlantic Tropical Experiment.

Tao, Wei-Kuo↗
NASA NTRS2021

Evaluating the Large-Scale Hydrological Cycle Response within the Pliocene Model Intercomparison Project Phase 2 (PlioMIP2) Ensemble

The mid-Pliocene (∼3 Ma) is one of the most recent warm periods with high CO2 concentrations in the atmosphere and resulting high temperatures, and it is often cited as an analog for near-term future climate change. Here, we apply a moisture budget analysis to investigate the response of the large-scale hydrological cycle at low latitudes within a 13-model ensemble from the Pliocene Model Intercomparison Project Phase 2 (PlioMIP2). The results show that increased atmospheric moisture content within the mid-Pliocene ensemble (due to the thermodynamic effect) results in wetter conditions over the deep tropics, i.e., the Pacific intertropical convergence zone (ITCZ) and the Maritime Continent, and drier conditions over the subtropics. Note that the dynamic effect plays a more important role than the thermodynamic effect in regional precipitation minus evaporation (PmE) changes (i.e., northward ITCZ shift and wetter northern Indian Ocean). The thermodynamic effect is offset to some extent by a dynamic effect involving a northward shift of the Hadley circulation that dries the deep tropics and moistens the subtropics in the Northern Hemisphere (i.e., the subtropical Pacific). From the perspective of Earth's energy budget, the enhanced southward cross-equatorial atmospheric transport (0.22 PW), induced by the hemispheric asymmetries of the atmospheric energy, favors an approximately 1∘ northward shift of the ITCZ. The shift of the ITCZ reorganizes atmospheric circulation, favoring a northward shift of the Hadley circulation. In addition, the Walker circulation consistently shifts westward within PlioMIP2 models, leading to wetter conditions over the northern Indian Ocean. The PlioMIP2 ensemble highlights that an imbalance of interhemispheric atmospheric energy during the mid-Pliocene could have led to changes in the dynamic effect, offsetting the thermodynamic effect and, hence, altering mid-Pliocene hydroclimate.

mid-Pliocene↗
DOE OSTI2022

Running Ensemble Workflows at Extreme Scale: Lessons Learned and Path Forward

The ever-increasing volumes of scientific data combined with sophisticated techniques for extracting information from them have led to the increasing popularity of ensemble workflows which are a collection of runs of individual workflows. A traditional approach followed by scientists to run ensembles is to rely on simple scripts to execute different runs and manage resources. This approach is not scalable and is error-prone, thereby motivating the development of workflow management systems that specialize in executing ensembles on HPC clusters. However, when the size of both the ensemble and the target system reach extreme scales, existing workflow management systems face new challenges that hamper their efficient execution. In this paper, we describe our experience scaling an ensemble workflow from the computational biology domain from the early design stages to the execution at extreme scale on Summit, a leadership class supercomputer at the Oak Ridge National Laboratory. We discuss challenges that arise when scaling ensembles to several million runs on thousands of HPC nodes. We identify challenges with composition of the ensemble itself, its execution at large scale, post-processing of the generated data, and scalability of the file system. Based on the experience acquired, we develop a generic vision of the capabilities and abstractions to add to existing workflow management systems to enable the execution of ensemble workflows at extreme scales. We believe that the understanding of these fundamental challenges will help application teams along with workflow system developers with designing the next generation of infrastructure for composing and executing extreme-scale ensemble workflows.

Mehta, Kshitij↗
DOE OSTI2020

On the Correspondence between Seasonal Forecast Biases and Long-Term Climate Biases in Sea Surface Temperature

In this paper, the correspondence between mean sea surface temperature (SST) biases in retrospective seasonal forecasts (hindcasts) and long-term climate simulations from five global climate models is examined to diagnose the degree to which systematic SST biases develop on seasonal time scales. The hindcasts are from the North American Multi-Model Ensemble and the climate simulations are from the Coupled Model Intercomparison Project. The analysis suggests that most robust climatological SST biases begin to form within 6 months of a realistically initialized integration, although the growth rate varies with location, time, and model. In regions with large biases, interannual variability and ensemble spread is much smaller than the climatological bias. Additional ensemble hindcasts of the Community Earth System Model with a different initialization method suggest that initial conditions do matter for the initial bias growth, but the overall global bias patterns are similar after 6 months. A hindcast approach is more suitable to study biases over the tropics and sub-tropics than over the extra-tropics because of smaller initial biases and faster bias growth. The rapid emergence of SST biases makes it likely that fast processes with times scales shorter than the seasonal time scales in the atmosphere and upper ocean are responsible for a substantial part of the climatological SST biases. Studying the growth of biases may provide important clues to the causes and ultimately the amelioration of these biases. Further, initialized seasonal hindcasts can profitably be used in the development of high-resolution coupled ocean-atmosphere models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2007

Symmetry, Statistics and Structure in MHD Turbulence

Here, we examine homogeneous MHD turbulence in terms of truncated Fourier series. The ideal MHD equations and the associated statistical theory of absolute equilibrium ensembles are symmetric under P, C and T. However, the presence of invariant helicities, which are pseudoscalars under P and C, dynamically breaks this symmetry. This occurs because the surface of constant energy in phase space has disjoint parts, called components: while ensemble averages are taken over all components, a dynamical phase trajectory is confined to only one component. As the Birkhoff-Khinchin theorem tells us, ideal MHD turbulence is thus non-ergodic. This non-ergodicity manifests itself in low-wave number Fourier modes that have large mean values (while absolute ensemble theory predicts mean values of zero). Therefore, we have coherent structure in ideal MHD turbulence. The level of non-ergodicity and amount of energy contained in the associated coherent structure depends on the values of the helicities, as well as on the presence, or not, of a mean magnetic field and/or overall rotation. In addition to the well known cross and magnetic helicities, we also present a new invariant, which we call the parallel helicity, since it occurs when mean field and rotation axis are aligned. The question of applicability of these results to real (i.e., dissipative) MHD turbulence is also examined. Several long-time numerical simulations on a 64(exp 3) grid are given as examples. It is seen that coherent structure begins to form before decay dominates over nonlinearity. The connection of these results with inverse spectral cascades, selective decay, and magnetic dynamos is also discussed.

Shebalin, John V.↗