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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Simulating Mixed‐Phase Open Cellular Clouds Observed During COMBLE: Evaluation of Parameterized Turbulence Closure

Marine cold-air outbreaks, or CAOs, are airmass transformations whereby relatively cold boundary layer (BL) air is transported over relatively warm water. To more deeply understand BL and mixed-phase cloud properties during CAO conditions, the Cold-Air Outbreaks in the Marine Boundary Layer Experiment (COMBLE) took place from late 2019 into early 2020. During COMBLE, the U.S. Department of Energy's first Atmospheric Radiation Measurement Mobile Facility (AMF1) was deployed to Andenes, Norway, far downstream (~1,000 km) from the Arctic pack ice. This study examines the two most intense CAOs sampled at the AMF1 site. The observed BL structures are open cellular with high (~3–5 km) and cold (–30 to –50 °C) cloud tops, and they often have pockets of high liquid water paths (LWPs; up to ~1,000 g m –2 ) associated with strong updrafts and enhanced turbulence. We use a high-resolution mesoscale model to explore how well four turbulence closure methods represent open cellular clouds. After applying a radar simulator to model outputs for direct evaluation, cloud top properties agree well with AMF1 observations (within ~10%), but radar reflectivity and LWP agreement is more variable. Results suggest that the turbulent Prandtl number may play an important role for the simulated BL and cloud properties. All simulations produce enhanced precipitation rates that are well-correlated with a cloud transition. Finally, the eddy-diffusivity/mass-flux approach produces the deepest cloud layer and therefore the largest and most coherent cellular structures. Furthermore, we recommend the use of a non-local turbulence closure approach to better capture turbulent processes in intense CAOs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Deep learning interfacial momentum closures in coarse-mesh CFD two-phase flow simulation using validation data

Multiphase flow phenomena have been widely observed in the industrial applications while it remains a challenging yet unsolved problems. Three-dimensional computational fluid dynamics (CFD) approaches resolve the flow fields on a finer special and temporal scales which can complement the dedicated experimental study. However, closures have to be introduced to reflect the underlying physics in multiphase flow. Among them, the interfacial forces, including drag, lift, turbulent dispersion and wall lubrication forces, play in important role on the bubble’s distribution and migration in liquid-vapor two-phase flow. Development of those closures traditionally rely on the experimental data and analytical derivation with simplified assumptions which usually cannot deliver a universal solution across wide range of flow conditions. In this paper, a data-driven approach, named as Feature Similarity Measurement (FSM), is developed and applied to improve the simulation capability of two-phase flow with coarse-mesh CFD approach. Interfacial momentum transfer in adiabatic bubbly flow serves as the focus of the present study. Both a mature and a simplified set of interfacial closures are taken as the low fidelity data. Experimental data and fine mesh CFD simulations results are adopted as high-fidelity data. Qualitative and quantitative analysis are performed in this paper which reveals that FSM can substantially improve the prediction of coarse mesh CFD model regardless of the choice of interfacial closures and it provides scalability and consistency across discontinuous flow regimes. Furthermore, it demonstrates that data-driven method can aid the multiphase flow modeling by exploring the connections between local physical features and simulation errors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

SootLib: A soot model library for combustion simulation

Soot formation in combustion is an important process that affects radiative heat transfer, flame temperatures, and emissions with health and environmental impacts. Soot formation involves complex chemistry for nucleation, growth, oxidation, and coagulation processes. The soot particles vary widely in size and accurate modeling requires representation of the particle size distribution (PSD). Modeling soot is not trivial, and is only one of several physical processes active in combustion systems. This paper presents a software package called SootLib, which is an open-source library for modeling soot formation and other aerosol systems. SootLib is written in C++, is documented with Doxygen, and is available on GitHub. The library includes several models for soot chemistry and coagulation, and it represents the PSD using either a sectional model or the method of moments (MOM). Four closure approaches for the MOM are implemented allowing up to eight moments: monodispersed, an assumed-shape lognormal distribution, the quadrature method of moments, and the method of moments with interpolative closure. SootLib provides an interface for inclusion in other combustion packages including CFD or reacting flow solvers. The range of models allows comparisons and sensitivity studies, and the modularity facilitates extension to other soot models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The vertical-velocity skewness in the inertial sublayer of turbulent wall flows

Empirical evidence is provided that within the inertial sublayer (i.e. logarithmic region) of adiabatic turbulent flows over smooth walls, the skewness of the vertical-velocity component 𝑆 𝑤 displays universal behaviour, being a positive constant and constrained within the range 𝑆 𝑤 ≈ 0.1–0.16, regardless of flow configuration and Reynolds number. A theoretical model is then proposed to explain this behaviour, including the observed range of variations of 𝑆 𝑤 . The proposed model clarifies why 𝑆 𝑤 cannot be predicted from down-gradient closure approximations routinely employed in large-scale meteorological and climate models. The proposed model also offers an alternative and implementable approach for such large-scale models.

turbulent boundary layers↗
DOE OSTI2023

Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes

Abstract In this second part of the two paper series, we detail an algorithmic procedure for systematically implementing the generalized closure form strategy presented in Part 1. This strategy extends the applicability of homogenized models with respect to classical homogenization theory, as demonstrated in Part 1 where upscaled models are rigorously derived in moderately reactive physical regimes. After encoding the algorithm into Symbolica, an automated upscaling framework, we upscale two reactive mass transport problems and numerically validate the resulting nonlinear homogenized models by showing the absolute error estimates predicted by homogenization theory are satisfied. In both problems, nontrivial closure forms and closure problems are automatically formulated using the encoded strategy with no human interaction, nor prior knowledge regarding the closure required for the systems. We hope these demonstrations spark further interest in automated analytical frameworks for multiscale modeling, as such capabilities are invaluable for generating rigorous multiscale models of complex phenomena in porous media.

Pietrzyk, Kyle↗
DOE OSTI2025

Molecular model of TFIIH recruitment to the transcription-coupled repair machinery

Transcription-coupled repair (TCR) is a vital nucleotide excision repair sub-pathway that removes DNA lesions from actively transcribed DNA strands. Binding of CSB to lesion-stalled RNA Polymerase II (Pol II) initiates TCR by triggering the recruitment of downstream repair factors. Yet it remains unknown how transcription factor IIH (TFIIH) is recruited to the intact TCR complex. Combining existing structural data with AlphaFold predictions, we build an integrative model of the initial TFIIH-bound TCR complex. We show how TFIIH can be first recruited in an open repair-inhibited conformation, which requires subsequent CAK module removal and conformational closure to process damaged DNA. In our model, CSB, CSA, UVSSA, elongation factor 1 (ELOF1), and specific Pol II and UVSSA-bound ubiquitin moieties come together to provide interaction interfaces needed for TFIIH recruitment. STK19 acts as a linchpin of the assembly, orienting the incoming TFIIH and bridging Pol II to core TCR factors and DNA. Molecular simulations of the TCR-associated CRL4CSA ubiquitin ligase complex unveil the interplay of segmental DDB1 flexibility, continuous Cullin4A flexibility, and the key role of ELOF1 for Pol II ubiquitination that enables TCR. Collectively, these findings elucidate the coordinated assembly of repair proteins in early TCR.

Paul, Tanmoy↗
NASA NTRS2011

Short Wavelength Electromagnetic Perturbations Excited Near the Solar Probe Plus Spacecraft in the Inner Heliosphere: 2.5D Hybrid Modeling

A 2.5D numerical plasma model of the interaction of the solar wind (SW) with the Solar Probe Plus spacecraft (SPPSC) is presented. These results should be interpreted as a basic plasma model derived from the SW-interaction with the spacecraft (SC), which could have consequences for both plasma wave and electron plasma measurements on board the SC in the inner heliosphere. Compression waves and electric field jumps with amplitudes of about 1.5 V/m and (12-18) V/m were also observed. A strong polarization electric field was also observed in the wing of the plasma wake. However, 2.5D hybrid modeling did not show excitation of whistler/Alfven waves in the upstream connected with the bidirectional current closure that was observed in short-time 3D modeling SPPSC and near a tether in the ionosphere. The observed strong electromagnetic perturbations may be a crucial point in the electromagnetic measurements planned for the future Solar Probe Plus (SPP) mission. The results of modeling electromagnetic field perturbations in the SW due to shot noise in absence of SPPSC are also discussed.

Lipatov, Alexander S.↗
DOE OSTI2026

Process‐Oriented Calibration of a Turbulence Scheme in the DOE's Global Storm‐Resolving Model Using Machine Learning

A process‐oriented calibration framework is developed for the Simplified Higher‐Order Closure (SHOC) turbulence scheme in DOE's Simple Cloud Resolving E3SM Atmospheric Model (SCREAM). This framework leverages machine learning surrogates and observational constraints to efficiently calibrate SHOC adjustable parameters across two convective regimes: clear‐sky dry convective boundary layer and fair‐weather shallow cumulus clouds from ARM observations. We use perturbed‐parameter ensembles of a doubly periodic version of SCREAM to train surrogates and apply Markov Chain Monte Carlo sampling guided by cost functions based on benchmarking large‐eddy simulations and observations to identify optimized parameter sets that perform well in both regimes. The calibrated SHOC parameters substantially improve boundary‐layer turbulence and cloud boundaries, and modeled cloud fraction and radiative effects align better with observations than the default. These results demonstrate that combining multiple process‐specific convective regimes with machine‐learning surrogates can reduce parametric uncertainties and yield a model more faithful to cloud–turbulence interactions.

58 GEOSCIENCES↗
NASA NTRS2000

A Strip-Yield Model for Predicting the Growth of Part-Through Cracks Under Cyclic Loading

Flaws exist in aircraft structures due to manufacturing operations and material defects. Under variable amplitude cyclic loading, these flaws grow as part-through cracks reducing the residual strength of structural components. To meet damage tolerant design requirements, accurate flaw growth predictions are needed which account for continual changes in crack shape as well as crack growth retardation and acceleration. Predicting the growth of part-through cracks under cyclic loading using an innovative and computationally efficient model is the focus of the research summarized in this report. In this research effort, a slice synthesis methodology was developed and used to construct a modified strip-yield model for the part-through semi-elliptical surface flaw, enabling prediction of plasticity-induced closure along the crack front and subsequent fatigue crack growth under constant amplitude and variable amplitude loading. While modeling the plasticity-induced closure in a part-through flaw may be performed using three dimensional elastic-plastic finite element analysis, this type of effort is impractical from an engineering perspective. A modified strip-yield model similar to that used in FASTRAN for part-through flaws is a much needed engineering design tool, particularly when computational resources are limited.

Daniewicz, S. R.↗
NASA NTRS1993

Research activities at the Center for Modeling of Turbulence and Transition

The main research activities at the Center for Modeling of Turbulence and Transition (CMOTT) are described. The research objective of CMOTT is to improve and/or develop turbulence and transition models for propulsion systems. The flows of interest in propulsion systems can be both compressible and incompressible, three dimensional, bounded by complex wall geometries, chemically reacting, and involve 'bypass' transition. The most relevant turbulence and transition models for the above flows are one- and two-equation eddy viscosity models, Reynolds stress algebraic- and transport-equation models, pdf models, and multiple-scale models. All these models are classified as one-point closure schemes since only one-point (in time and space) turbulent correlations, such as second moments (Reynolds stresses and turbulent heat fluxes) and third moments, are involved. In computational fluid dynamics, all turbulent quantities are one-point correlations. Therefore, the study of one-point turbulent closure schemes is the focus of our turbulence research. However, other research, such as the renormalization group theory, the direct interaction approximation method, and numerical simulations are also pursued to support the development of turbulence modeling.

Shih, Tsan-Hsing↗
NASA NTRS1997

Remote Marine Aerosol: A Characterization of Physical, Chemical and Optical Properties and their Relation to Radiative Transfer in the Troposphere

Our research effort is focused on improving our understanding of aerosol properties needed for optical models for remote marine regions. This includes in-situ and vertical column optical closure and involves a redundancy of approaches to measure and model optical properties that must be self consistent. The model is based upon measured in-situ aerosol properties and will be tested and constrained by the vertically measured spectral differential optical depth of the marine boundary layer, MBL. Both measured and modeled column optical properties for the boundary layer, when added to the free-troposphere and stratospheric optical depth, will be used to establish spectral optical depth over the entire atmospheric column for comparison to and validation of satellite derived radiances (AVHRR).

Clarke, Antony D.↗
NASA NTRS1981

Computing aerodynamic sound using advanced statistical turbulence theories

It is noted that the calculation of turbulence-generated aerodynamic sound requires knowledge of the spatial and temporal variation of Q sub ij (xi sub k, tau), the two-point, two-time turbulent velocity correlations. A technique is presented to obtain an approximate form of these correlations based on closure of the Reynolds stress equations by modeling of higher order terms. The governing equations for Q sub ij are first developed for a general flow. The case of homogeneous, stationary turbulence in a unidirectional constant shear mean flow is then assumed. The required closure form for Q sub ij is selected which is capable of qualitatively reproducing experimentally observed behavior. This form contains separation time dependent scale factors as parameters and depends explicitly on spatial separation. The approximate forms of Q sub ij are used in the differential equations and integral moments are taken over the spatial domain. The velocity correlations are used in the Lighthill theory of aerodynamic sound by assuming normal joint probability.

Hecht, A. M.↗
NASA NTRS1985

The closure problem for turbulence in meteorology and oceanography

The dependent variables used for computer based meteorological predictions and in plans for oceanographic predictions are wave number and frequency filtered values that retain only scales resolvable by the model. Scales unresolvable by the grid in use become 'turbulence'. Whether or not properly processed data are used for initial values is important, especially for sparce data. Fickian diffusion with a constant eddy diffusion is used as a closure for many of the present models. A physically realistic closure based on more modern turbulence concepts, especially one with a reverse cascade at the right times and places, could help improve predictions.

Pierson, W. J., Jr.↗
NASA NTRS2018

kL-based Linear and Nonlinear Two-Equation Turbulence Models

The development and implementation of kL-based Reynolds Average Navier-Stokes (RANS) two-equation turbulence models are reported herein. The kL is based on Abdol-Hamid's closure and Menter's modification to Rotta's two-equation model. Rotta shows that a reliable transport equation can be formed from the turbulent length scale L, and the turbulent kinetic energy k. Rotta's kL equation is well suited for term-by-term modeling and displays useful features compared to other scale formulation. One of the important differences is the inclusion of higher order velocity derivatives in the source terms of the scale equation. This can enhance the ability of RANS solvers to simulate unsteady flows in URANS mode. The present report documents the formulation of two model levels of turbulence models as implemented in the computational fluid dynamics FUN3D code. The levels are the two-equation linear k-kL and the two-equation algebraic Reynolds stress model (ARSM). Free shear, separated and corner flow cases are documented and compared with experimental, and other turbulence model data. The results show generally very good comparisons with experimental data. The results from this formulation are similar or better than results using the SST two-equation turbulence model. ARSM shows great promise with similar level of computational resources as basic two-equation turbulence models.

Abdol-Hamid, K. S.↗
DOE OSTI2023

Electron heating in kinetic-Alfvén-wave turbulence

We report analytical and numerical investigations of subion-scale turbulence in low-beta plasmas using a rigorous reduced kinetic model. We show that efficient electron heating occurs and is primarily due to Landau damping of kinetic Alfvén waves, as opposed to Ohmic dissipation. This collisionless damping is facilitated by the local weakening of advective nonlinearities and the ensuing unimpeded phase mixing near intermittent current sheets, where free energy concentrates. The linearly damped energy of electromagnetic fluctuations at each scale explains the steepening of their energy spectrum with respect to a fluid model where such damping is excluded (i.e., a model that imposes an isothermal electron closure). In conclusion, the use of a Hermite polynomial representation to express the velocity-space dependence of the electron distribution function enables us to obtain an analytical, lowest-order solution for the Hermite moments of the distribution, which is borne out by numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Level structure of light neutron-rich La isotopes beyond the 𝑁 = 82 shell closure

Here, the high spin excited states of Lanthanum isotopes 140–143 La, above the 𝑁 = 82 closed shell, were populated in fission reactions. The prompt 𝛾-ray transitions were measured using two complementary methods: (a) in coincidence with the isotopically identified fragments produced in the fission of the 238 U + 9 Be system using the Variable Mode Spectrometer (VAMOS++) and the Advanced Gamma Tracking Array (AGATA) spectrometer, and (b) high statistics threefold 𝛾−𝛾−𝛾 and fourfold 𝛾−𝛾−𝛾−𝛾 coincidence data from the spontaneous fission of 252 Cf using the Gammasphere. This work reports the first identification of a pair of parity doublet structures in 143 La and the new high spin level structure in 140–142 La from prompt 𝛾-ray spectroscopy. The level structures are interpreted in terms of the systematics of neighboring odd-𝑍 nuclei above the 𝑍 = 50 shell closure and large-scale shell model calculations. The present results indicate the presence of stable octupole deformation in 143 La. The excitation energy pattern and their comparison with neighboring isotones, moving away from the 𝑁 = 82 closed shell, point towards a transition from single-particle structures to an alternating parity rotational band structure in the La isotopic chain.

Navin, A. [Centre National de la Recherche Scienti↗
DOE OSTI2025

Realizability-preserving discontinuous Galerkin method for spectral two-moment radiation transport in special relativity

Here we present a realizability-preserving numerical method for solving a spectral two-moment model to simulate the transport of massless, neutral particles interacting with a steady background material moving with relativistic velocities. The model is obtained as the special relativistic limit of a four-momentum-conservative general relativistic two-moment model. Using a maximum-entropy closure, we solve for the Eulerian-frame energy and momentum. The proposed numerical method is designed to preserve moment realizability, which corresponds to moments defined by a nonnegative phase-space density. The realizability-preserving method is achieved with the following key components: (i) a discontinuous Galerkin phase-space discretization with specially constructed numerical fluxes in the spatial and energy dimensions; (ii) a strong stability-preserving implicit-explicit time-integration method; (iii) a realizability-preserving conserved to primitive moment solver; (iv) a realizability-preserving implicit collision solver; and (v) a realizability-enforcing limiter. Component (iii) is necessitated by the closure procedure, which closes higher order moments nonlinearly in terms of primitive moments. The nonlinear conserved to primitive and the implicit collision solves are formulated as fixed-point problems, which are solved with custom iterative solvers designed to preserve the realizability of each iterate. With a series of numerical tests, we demonstrate the accuracy and robustness of this discontinuous-Galerkin-implicit-explicit method.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Do We Know How to Model Reionization?

I compare the power spectra of the radiation fields from two recent sets of fully-coupled simulations that model cosmic reionization: “Cosmic Reionization On Computers” (CROC) and “Thesan”. While both simulations have similar power spectra of the radiation sources, the power spectra of the photoionization rate are significantly different at the same values of cosmic time or the same values of the mean neutral hydrogen fraction. However, the power spectra of the photoionization rate can be matched at large scales for the two simulations when the matching snapshots are allowed to vary independently. I.e., on large scales, the clustering of the radiation field in two simulations evolves similarly, but the exact timing of this evolution is different in different simulations and is not parameterized by an easily interpretable physical quantity like the mean neutral fraction or the mean free path. On small scales, large differences are present and remain partially unexplained. Both CROC and Thesan use the Variable Eddington Tensor approximation for modeling radiative transfer, but adopt different closure relations (optically thin OTVET versus M1). The role of this key difference is tested by using smaller simulations with a new cosmological simulation code that implements both closure relations in a controlled environment (the same hydro, cooling, and gravity solvers and the star formation recipe). In these controlled tests, both the M1 closure and the OTVET ansatz follow the expected behavior from a simple analytical approximation, demonstrating that the differences in the 2-point function of the radiation field induced by the choice of the Eddington tensor are not dominant.

79 ASTRONOMY AND ASTROPHYSICS↗