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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Flowfield dynamics in blunt fin-induced shock wave/turbulent boundary layer interactions

Fluctuating wall pressure measurements have been made on centerline upstream of a blunt fin in a Mach 5 turbulent boundary layer. By examining the ensemble averaged wall pressure distributions for different separation shock foot positions, it has been shown that local fluctuating wall pressure measurements are due to a distinct pressure distribution, Rho(sub i), which undergoes a stretching and flattening effect as its upstream boundary translates aperiodically between the upstream influence and separation lines. The locations of the maxima and minima in the wall pressure standard deviation can be accurately predicted using this distribution, providing quantitative confirmation of the model. This model also explains the observed cross-correlations and ensemble average measurements within the interaction. Using the Rho(sub i) model, wall pressure signals from under the separated flow region were used to reproduce the position-time history of the separation shock foot. Further, the negative time delay peak in the cross-correlation between the predicted and actual shock foot histories suggests that the separated region fluctuations precede shock foot motion. The unsteady behavior of the primary horseshoe vortex and its relation to the unsteady separation shock are described.

Dolling, David S.↗
DOE OSTI2025

From clutter to clarity: Emergent neural operators via questionnaire metrics

Real-world datasets in chemical engineering and bioengineering processes—such as those from catalytic reactors, multiphase flows, polymerization reactors, bioreactors, and clinical trials—can often be unlabeled or disorganized, rendering the training of existing supervised learning models ineffective at learning the underlying dynamics. To salvage these datasets for decision-making, we first seek to obtain clarity from the cluttered data. Here, we present a framework for developing “structural” generative models, discovering emergent equations, and constructing efficient emulators from scrambled datasets by integrating unsupervised organizational learning techniques (Questionnaires) with advanced deep learning architectures (Deep Hidden Physics Models and Deep Operator Networks). Our approach is demonstrated on two illustrative model systems: (a) a 1D advection–diffusion partial differential equation representing a winding underground pipe and (b) an ensemble of Stuart–Landau oscillators, an agent-based system of coupled ordinary differential equations. In both cases, we successfully reconstruct meaningful spatial, temporal, and parameter embeddings from scrambled data, enabling good predictions of system dynamics. As a result, we highlight the framework’s potential for broader applications, enabling data-driven system identification in fields with inherently disorganized or hidden parameter spaces.

42 ENGINEERING↗
DOE OSTI2026

Polarons are probes of the dynamic nanoscale environments found in electrochemically doped π-conjugated polymers

Charge carriers (i.e., polarons) in electrochemically doped organic (semi)conductors are proposed to be regulated by several physicochemical features, including the chemical compositions and structures of the π-conjugated frameworks of the semiconductor building blocks, the chemistry of the electrolyte (considering both the salt and solvent), multiscale and time-dependent morphology variations across the material as a function of electrochemical processes, and assorted permutations of these and other factors. To address these hypotheses, we investigate the energetic, optoelectronic, chemical, and local structural properties of negative polarons (radical anions) as a function of electrochemical doping in the donor–acceptor, π-conjugated redox copolymer P(NDI2OD-T2), also referred to as N2200. A critical finding is that there is not just “one type” of polaron in electrochemically doped P(NDI2OD-T2). Rather, an ensemble of polarons exists, with the polarons having optoelectronic signatures that are defined by their nanoscale environments. Importantly, the polaron optical signatures serve as local probes for how the operando electrochemical environments are dynamically working in concert to facilitate charge transport. Collectively, the distinctive and extensive integration of theory and measurement science presented here establishes a baseline for the roles that semiconductor and electrolyte chemistries and dynamic structural features have on polarons in electrochemically doped organic semiconductors and how these factors influence the energetics and rates of polaron transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Fracture, failure, and fragmentation

A general approach is required for describing matter of behavior when the failure is likely to involve growth and coalescence of a large number of fractures. Failures of this kind appear frequently in rapid dynamic processes, particularly in the formation of spall fragments. An approach to formulating constitutive relations that accounts for the opening, shear and growth of an ensemble of cracks is discussed. The approach accounts for plastic flow accompanying fragmentation. The resulting constitutive relations were incorporated into a Lagrangian computer program. A theoretical approach to coalescence is described. The simplest formulation uses a linear Liouville equation, with crack growth limited by the mean free path of cracks, assumed constant. This approach allows for an anisotropic distribution of cracks. An alternative approach in which the decrease of the mean free path with increasing crack size is accounted for, but the crack distribution is assumed isotropic is described. A reduction of the governing Liouville equation to an ordinary differential equation of third order is possible, and the result can be used to determine how mean free path decreases with increasing crack size.

Dienes, J. K.↗
NASA NTRS1985

A monthly forecast experiment: Preliminary report

An experiment on monthly forecasts with eight winter cases is being carried out, using a 1980 general circulation model (GCM), which incorporates a set of dubgrid-scale physics characterized by the Mellon-Yamada turbulence closure (hierarchy level 2.5), the Monin-Obukhov parameterization for the layer next to the ground surface, Manabe's cumulus parameterization, and the soil heat conduction. The sample cases adopted are for the month of January in the years from 1977 to 1983, which include the extraordinarily severe winter of 1977 and the most pronounced E1 Nino year of 1983. Each case is predicted by prescribing the climatologically normal sea surface temperature as the lower boundary conditions and by using an ensemble means of three individual integrations. These integrations start with three different initial conditions based on the Level data generated separately at the Geophysical Fluid Dynamics Laboratory, the National Meteorological Center, and the European Centre for Medium Range Weather Forecasts.

Miyakoda, K.↗
NASA NTRS1993

An X-ray method for detecting substructure in galaxy clusters - Application to Perseus, A2256, Centaurus, Coma, and Sersic 40/6

We use the moments of the X-ray surface brightness distribution to constrain the dynamical state of a galaxy cluster. Using X-ray observations from the Einstein Observatory IPC, we measure the first moment FM, the ellipsoidal orientation angle, and the axial ratio at a sequence of radii in the cluster. We argue that a significant variation in the image centroid FM as a function of radius is evidence for a nonequilibrium feature in the intracluster medium (ICM) density distribution. In simple terms, centroid shifts indicate that the center of mass of the ICM varies with radius. This variation is a tracer of continuing dynamical evolution. For each cluster, we evaluate the significance of variations in the centroid of the IPC image by computing the same statistics on an ensemble of simulated cluster images. In producing these simulated images we include X-ray point source emission, telescope vignetting, Poisson noise, and characteristics of the IPC. Application of this new method to five Abell clusters reveals that the core of each one has significant substructure. In addition, we find significant variations in the orientation angle and the axial ratio for several of the clusters.

Mohr, Joseph J.↗
NASA NTRS1999

Potential Predictability of the Monsoon Subclimate Systems

While El Nino/Southern Oscillation (ENSO) phenomenon can be predicted with some success using coupled oceanic-atmospheric models, the skill of predicting the tropical monsoons is low regardless of the methods applied. The low skill of monsoon prediction may be either because the monsoons are not defined appropriately or because they are not influenced significantly by boundary forcing. The latter characterizes the importance of internal dynamics in monsoon variability and leads to many eminent chaotic features of the monsoons. In this study, we analyze results from nine AMIP-type ensemble experiments with the NASA/GEOS-2 general circulation model to assess the potential predictability of the tropical climate system. We will focus on the variability and predictability of tropical monsoon rainfall on seasonal-to-interannual time scales. It is known that the tropical climate is more predictable than its extratropical counterpart. However, predictability is different from one climate subsystem to another within the tropics. It is important to understand the differences among these subsystems in order to increase our skill of seasonal-to-interannual prediction. We assess potential predictability by comparing the magnitude of internal and forced variances as defined by Harzallah and Sadourny (1995). The internal variance measures the spread among the various ensemble members. The forced part of rainfall variance is determined by the magnitude of the ensemble mean rainfall anomaly and by the degree of consistency of the results from the various experiments.

Yang, Song↗
NASA NTRS2023

Diverging Trends in Rain-on-Snow Over High Mountain Asia

Rain-on-snow (ROS) over snow-dominated regions such as High Mountain Asia (HMA) modulates snowmelt and runoff and is key contributor in influencing water availability and hazards (e.g., floods and landslides). We studied the trends in ROS in HMA over the past two decades from 2001 to 2018 using the land surface model Noah-MP driven by an ensemble precipitation data set. Our results show that changes in precipitation phase and rainfall are altering ROS. Because of the strong physical heterogeneity and atmospheric dynamics of HMA, ROS characteristics and trends are region-dependent and ROS occurs predominantly over the Indus, Ganges-Brahmaputra, and northwestern basins. In the Indus, ROS representing ∼5% of the annual precipitation and ∼20% of the annual snowmelt, has an increasing trend. This is contrary to the Ganges-Brahmaputra characterized by decreasing ROS trends, where it represents ∼11% of the annual precipitation and ∼60% of the annual snowmelt. In the northwestern basins, ROS has bidirectional trends due to elevation patterns and trends in rainfall, and it constitutes ∼5 to ∼10% of the annual precipitation. Increasing trends in ROS over Indus contribute to reducing the snowpack in late summer, with concerns of reduced water availability and increased groundwater exploitation. Similarly, because of its high amount and contribution to snowmelt, the decreasing ROS trends in the Ganges-Brahmaputra will have consequences of decreased recharge from the headwaters and exacerbated use of groundwater unless increasing trends in rainfall compensate for the decreasing snowmelt. These results provide new insights on ROS-driven changes in the hydrological cycle over HMA.

rain-on-snow↗
DOE OSTI2024

CMIP6-based Multi-model Streamflow Projections over the Conterminous US, Version 1.1

This dataset presents an ensemble of streamflow projections covering the conterminous United States (CONUS), developed to support the SECURE Water Act Section 9505 Assessment for the US Department of Energy (DOE) Water Power Technologies Office (WPTO). Multiple Coupled Models Intercomparison Project phase 6 (CMIP6) Global Climate Models (GCMs) were downscaled using either statistical (DBCCA) or dynamical (RegCM) downscaling methods, based on two meteorological reference datasets (Daymet and Livneh). Subsequently, the downscaled precipitation, temperature, and wind speed data were used to drive two calibrated hydrologic models (VIC and PRMS), with total runoff routed through the Routing Application for Parallel computatIon of Discharge (RAPID) routing model, producing an ensemble of streamflow projections across 2.7 million NHDPlusV2 stream reaches across the CONUS. Each ensemble member covers the 1980-2019 baseline and 2020-2059 near-future periods under the high-end (SSP585) emission scenario. Additionally, using only DBCCA and Daymet, the projections extend to the 2060-2099 far-future period and encompass three additional emission scenarios (SSP370, SSP245, and SSP126). This dataset is designed to support the SECURE Water Act Section 9505 Assessment for the US Department of Energy (DOE) Water Power Technologies Office (WPTO). For further details, refer to Kao et al. (2022), Rastogi et al. (2022), and Ghimire et al. (2023).

13 HYDRO ENERGY↗
NASA NTRS2013

Simultaneous Estimation of Model State Variables and Observation and Forecast Biases Using a Two-Stage Hybrid Kalman Filter

In this paper, we present a two-stage hybrid Kalman filter to estimate both observation and forecast bias in hydrologic models, in addition to state variables. The biases are estimated using the discrete Kalman filter, and the state variables using the ensemble Kalman filter. A key issue in this multi-component assimilation scheme is the exact partitioning of the difference between observation and forecasts into state, forecast bias and observation bias updates. Here, the error covariances of the forecast bias and the unbiased states are calculated as constant fractions of the biased state error covariance, and the observation bias error covariance is a function of the observation prediction error covariance. In a series of synthetic experiments, focusing on the assimilation of discharge into a rainfall-runoff model, it is shown that both static and dynamic observation and forecast biases can be successfully estimated. The results indicate a strong improvement in the estimation of the state variables and resulting discharge as opposed to the use of a bias-unaware ensemble Kalman filter. Furthermore, minimal code modification in existing data assimilation software is needed to implement the method. The results suggest that a better performance of data assimilation methods should be possible if both forecast and observation biases are taken into account.

Data Assimilation↗
DOE OSTI2024

Insight into molecular basis and dynamics of full-length CRaf kinase in cellular signaling mechanisms

Raf kinases play key roles in signal transduction in cells for regulating proliferation, differentiation, and survival. Despite decades of research into functions and dynamics of Raf kinases with respect to other cytosolic proteins, understanding Raf kinases is limited by the lack of their full-length structures at the atomic resolution. Here, we present the first model of the full-length CRaf kinase obtained from artificial intelligence/machine learning algorithms with a converging ensemble of structures simulated by large-scale temperature replica exchange simulations. Our model is validated by comparing simulated structures with the latest cryo-EM structure detailing close contacts among three key domains and regions of the CRaf. Our simulations identify potentially new epitopes of intramolecule interactions within the CRaf and reveal a dynamical nature of CRaf kinases, in which the three domains can move back and forth relative to each other for regulatory dynamics. The dynamic conformations are then used in a docking algorithm to shed insight into the paradoxical effect caused by vemurafenib in comparison with a paradox breaker PLX7904. In this study, we propose a model of Raf-heterodimer/KRas-dimer as a signalosome based on the dynamics of the full-length CRaf.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

High fidelity simulations of contaminant dispersion in an urban environment with comparison to magnetic resonance imaging measurements

The dispersion of a contaminant in an urban environment has the potential to impact a large population of people. In this work, a complex urban canopy flow based on the Oklahoma City downtown business district circa 2003 is studied using Magnetic Resonance Imaging (MRI) and high-fidelity Large Eddy Simulations (LES). MRI is a novel experimental technique that can provide high-resolution measurements in four dimensions (three spatial and temporal) for lab scale models. The experiments and simulations use the same geometry and boundary conditions providing a one-to-one comparison of the two methods. Results are presented on the time-averaged velocity and concentration fields, the temporal dynamics of the concentration plumes for a transient release, and a novel Cloud Identification Algorithm that can separate plumes produced by periodic contaminant releases used for ensemble averaging over many releases. The MRI and LES datasets both include millions of measurement voxels and the comparisons highlight the complex 3D nature of the flow including strong vertical velocities in spanwise street canyons and flow acceleration in streamwise street canyons. The concentration fields are qualitatively similar albeit the LES shows larger dispersion. A quantitative analysis with performance measures compares the datasets pointwise and demonstrates that the two 3D datasets are similar with respect to many measures including a fractional bias of 0.02 (ideal=0.0), correlation coefficient of 0.87 (ideal = 1.0), and the fraction points within a factor of 2 is 0.98 (ideal = 1.0). Plume analysis compares the arrival and residence time of contaminant and is found to vary significantly with location within the urban environment with arrival times between 0 and 1.25 and differences within the contaminant cloud less than 10% at most locations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Operator learning for energy-efficient building ventilation control with computational fluid dynamics simulation of a real-world classroom

Energy-efficient ventilation control plays an important role in reducing building energy consumption while ensuring occupant health and comfort. While Computational Fluid Dynamics (CFD) simulations provide detailed and physically accurate representations of indoor airflow, their high computational cost limits their use in real-time building control. In this work, we present a neural operator learning framework that combines the physical accuracy of CFD with the computational efficiency of machine learning to enable building ventilation control with the high-fidelity fluid dynamics models. Our method jointly optimizes the airflow supply rates and vent angles to reduce energy use and adhere to air quality constraints. We train an ensemble of neural operator transformer models to learn the mapping from building control actions to airflow fields using high-resolution CFD data. This learned neural operator is then embedded in an optimization-based control framework for building ventilation control. Experimental results show that our approach achieves significant energy savings compared to maximum airflow rate control, rule-based control, as well as data-driven control methods using spatially averaged CO 2 prediction and deep learning–based reduced-order models, while consistently maintaining safe indoor air quality. These results highlight the practicality and scalability of our method in maintaining energy efficiency and indoor air quality in real-world buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Peatland fires in Alaska will double by the end of the century

During recent summers, warm and dry conditions have increased the occurrence of wildfires and potentially peat-fires across Alaska. Limitations in resolving the fine-scale distribution of peatlands and climate observations have constrained our ability to accurately predict peat-fire dynamics. Using a new high-resolution peatland map of Alaska, we evaluated the climate and environmental controls of past and future peat-fire activity. Ensemble machine learning models identified reduced soil moisture, higher temperatures, and evapotranspiration as key predictors of annual total burned peatland area (tenfold CV R 2 = 0.62, RMSE = 221.1 km 2 ). By the end of the twenty-first century, models forced with climate datasets from representative concentration pathways (RCPs) 4.5, 6.0, and 8.5 emission scenarios project a statewide doubling of burned peatlands (increasing 61–121%), with regional increases ranging from 25–165% in polar, 61–95% in boreal, and 102–106% in maritime ecoregions. These projections indicate that wildfires will progressively encroach further into organic-rich moist and wet peaty soils, potentially amplifying soil carbon release across Alaska.

climate-change ecology↗
NASA NTRS1981

A numerical model study of long-term planetary wave predictability

A numerical model was developed to study planetary wave behavior over periods up to 4 months under the influences of stochastic and diffusive forcing by synoptic scale motions and of sea surface temperature anomalies. The model is suitable for Monte Carlo experiments which provide ensemble mean and variance predictions and permit the response to heating anomalies to be partly separated from random variability. The model incorporates the linear-balanced dynamical equations for wind at two tropospheric levels and temperature at one level. The model atmosphere is forced by semiempirical January heating linearly dependent on local air temperature. Topography and the lower boundary layer are represented by vertical motion and drag functions, respectively, of the lower level wind. The linear phase speeds of Rossby waves are modified to reflect the effect of the stratosphere.

Wobus, R. L.↗
NASA NTRS1999

Scale-Similar Models for Large-Eddy Simulations

Scale-similar models employ multiple filtering operations to identify the smallest resolved scales, which have been shown to be the most active in the interaction with the unresolved subgrid scales. They do not assume that the principal axes of the strain-rate tensor are aligned with those of the subgrid-scale stress (SGS) tensor, and allow the explicit calculation of the SGS energy. They can provide backscatter in a numerically stable and physically realistic manner, and predict SGS stresses in regions that are well correlated with the locations where large Reynolds stress occurs. In this paper, eddy viscosity and mixed models, which include an eddy-viscosity part as well as a scale-similar contribution, are applied to the simulation of two flows, a high Reynolds number plane channel flow, and a three-dimensional, nonequilibrium flow. The results show that simulations without models or with the Smagorinsky model are unable to predict nonequilibrium effects. Dynamic models provide an improvement of the results: the adjustment of the coefficient results in more accurate prediction of the perturbation from equilibrium. The Lagrangian-ensemble approach [Meneveau et al., J. Fluid Mech. 319, 353 (1996)] is found to be very beneficial. Models that included a scale-similar term and a dissipative one, as well as the Lagrangian ensemble averaging, gave results in the best agreement with the direct simulation and experimental data.

Sarghini, F.↗
NASA NTRS2002

Simulating Activities: Relating Motives, Deliberation and Attentive Coordination

Activities are located behaviors, taking time, conceived as socially meaningful, and usually involving interaction with tools and the environment. In modeling human cognition as a form of problem solving (goal-directed search and operator sequencing), cognitive science researchers have not adequately studied "off-task" activities (e.g., waiting), non-intellectual motives (e.g., hunger), sustaining a goal state (e.g., playful interaction), and coupled perceptual-motor dynamics (e.g., following someone). These aspects of human behavior have been considered in bits and pieces in past research, identified as scripts, human factors, behavior settings, ensemble, flow experience, and situated action. More broadly, activity theory provides a comprehensive framework relating motives, goals, and operations. This paper ties these ideas together, using examples from work life in a Canadian High Arctic research station. The emphasis is on simulating human behavior as it naturally occurs, such that "working" is understood as an aspect of living. The result is a synthesis of previously unrelated analytic perspectives and a broader appreciation of the nature of human cognition. Simulating activities in this comprehensive way is useful for understanding work practice, promoting learning, and designing better tools, including human-robot systems.

Clancey, William J.↗
DOE OSTI2024

Maximum Entropy Principle in Deep Thermalization and in Hilbert-Space Ergodicity

We report universal statistical properties displayed by ensembles of pure states that naturally emerge in quantum many-body systems. Specifically, two classes of state ensembles are considered: those formed by (i) the temporal trajectory of a quantum state under unitary evolution or (ii) the quantum states of small subsystems obtained by partial, local projective measurements performed on their complements. These cases, respectively, exemplify the phenomena of “Hilbert-space ergodicity” and “deep thermalization.” In both cases, the resultant ensembles are defined by a simple principle: The distributions of pure states have maximum entropy, subject to constraints such as energy conservation, and effective constraints imposed by thermalization. We present and numerically verify quantifiable signatures of this principle by deriving explicit formulas for all statistical moments of the ensembles, proving the necessary and sufficient conditions for such universality under widely accepted assumptions, and describing their measurable consequences in experiments. We further discuss information-theoretic implications of the universality: Our ensembles have maximal information content while being maximally difficult to interrogate, establishing that generic quantum state ensembles that occur in nature hide (scramble) information as strongly as possible. Our results generalize the notions of Hilbert-space ergodicity to time-independent Hamiltonian dynamics and deep thermalization from infinite to finite effective temperature. Our work presents new perspectives to characterize and understand universal behaviors of quantum dynamics using statistical and information-theoretic tools.

Eigenstate thermalization↗