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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Experimental and numerical studies of seismic fluid-structure interaction in a base-supported cylindrical vessel

Seismic design and qualification of advanced reactors will rely heavily on the use of verified and validated numerical models capable of capturing the interaction of the vessel, its contained fluid, and the internal equipment: fluid-structure interaction (FSI) analysis. Analytical solutions can be used for preliminary sizing and design of such vessels but their application is limited to simple geometries and boundary conditions, and small amplitude, translational (and rotational) inputs. To validate numerical models for seismic FSI analysis in finite element codes, a comprehensive set of experiments was performed on a liquid-filled cylindrical vessel, using a 6 degree-of-freedom earthquake simulator. Results in terms of sloshing frequency, damping ratio in sloshing modes, and hydrodynamic responses (wave height, hydrodynamic pressure, base shear, and base moment) for multi-directional earthquake simulator inputs are reported and compared with analytical solutions for liquid-filled vessels. The impact of seismic (base) isolation on hydrodynamic responses was studied using earthquake simulator inputs generated using a virtual isolation system. Data from the experiments are used to validate a numerical model of the fluid-filled vessel using the Arbitrary Lagrangian Eulerian (ALE) solver in the commercial finite element program LS-DYNA. Validation studies are presented for multi-directional seismic inputs, including rocking motions. Lagrangian modeling approaches using an elastic material formulation for the fluid are also investigated and their limitations and possible applications are identified. Here, the results are broadly applicable to the seismic response of base supported, liquid-filled vessels.

58 GEOSCIENCES↗
DOE OSTI2020

Parity- and Time-Reversal-Violating Nuclear Forces

Parity-violating and time-reversal conserving (PVTC) and parity-violating and time-reversal-violating (PVTV) forces in nuclei form only a tiny component of the total interaction between nucleons. The study of these tiny forces can nevertheless be of extreme interest because they allow one to obtain information on fundamental symmetries using nuclear systems. The PVTC interaction derives from the weak interaction between the quarks inside nucleons and nuclei, therefore the study of PVTC effects opens a window on the quark-quark weak interaction. The PVTV interaction is sensitive to more exotic interactions at the fundamental level, in particular to strong CP violation in the Standard Model Lagrangian, or even to exotic phenomena predicted in various beyond-the-Standard-Model scenarios. The presence of these interactions can be revealed either by studying various asymmetries in polarized scattering of nuclear systems, or by measuring the presence of non-vanishing permanent electric dipole moments of nucleons, nuclei and diamagnetic atoms and molecules. In this contribution, we review the derivation of the nuclear PVTC and PVTV interactions within various frameworks. We focus in particular on the application of chiral effective field theory, which allows for a more strict connection with the fundamental interactions at the quark level. We investigate PVTC and PVTV effects induced by these potentials on several few-nucleon observables, such as the longitudinal asymmetries in proton-proton scattering and the 3 He($\vec{n}$,p) 3 H reaction, the radiative neutron-proton capture, and the electric dipole moments of the deuteron and the trinucleon system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

What Polarimetric Weather Radars Offer to Cloud Modelers: Forward Radar Operators and Microphysical/Thermodynamic Retrievals

The utilization of polarimetric weather radars for optimizing cloud models is a next frontier of research. It is widely understood that inadequacies in microphysical parameterization schemes in numerical weather prediction (NWP) models is a primary cause of forecast uncertainties. Due to its ability to distinguish between hydrometeors with different microphysical habits and to identify “polarimetric fingerprints” of various microphysical processes, polarimetric radar emerges as a primary source of needed information. There are two approaches to leverage this information for NWP models: (1) radar microphysical and thermodynamic retrievals and (2) forward radar operators for converting the model outputs into the fields of polarimetric radar variables. In this paper, we will provide an overview of both. Polarimetric measurements can be combined with cloud models of varying complexity, including ones with bulk and spectral bin microphysics, as well as simplified Lagrangian models focused on a particular microphysical process. Combining polarimetric measurements with cloud modeling can reveal the impact of important microphysical agents such as aerosols or supercooled cloud water invisible to the radar on cloud and precipitation formation. Some pertinent results obtained from models with spectral bin microphysics, including the Hebrew University cloud model (HUCM) and 1D models of melting hail and snow coupled with the NSSL forward radar operator, are illustrated in the paper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Initial overview, description, and assessment of the DELFIC atmospheric transport model

We present an overview and description of the atmospheric transport model (ATM) component of the Defense Land Fallout Interpretative Code (DELFIC) and its revision history. In particular, we discuss the hybrid Eulerian-Lagrangian model of the DELFIC diffusive transport module (DTM), its assumptions and constraints, and assess its capability for modeling the transport, dispersion, and deposition of nuclear fallout debris. This hybrid model is an efficient transport model for the wide range of particle sizes found in nuclear fallout debris. Furthermore, we validate the 1979 version of DELFIC using the 1979 test case input and output presented in its documentation. Except for some rounding differences and exposure rate differences from the OPM, the DTM output is in very good agreement with the 1979 results. Overall, the DELFIC DTM provides a reasonable and rapid approximation to the transport and deposition of local nuclear fallout debris.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Reformulation of dicamba herbicide: Impacts on offsite transport and soybean damage

Abstract The herbicide dicamba (3,6‐dichloro‐2‐methoxybenzoic acid) is commonly used to control broadleaf weeds in soybeans. Dicamba, however, is susceptible to volatilization and drift, thereby causing significant plant damage to nontarget crops downwind. Dicamba was reformulated to reduce volatility and off‐target movement. The effectiveness of the dicamba reformulation was assessed by quantifying dicamba emissions following spray application and investigated how meteorological factors influenced the off‐target movement. The experiments were conducted at the University of Minnesota Agricultural Experiment Station (UMORE Park) during the growing season of 2018, 2019, 2021, and 2022. Multiple high‐flow polyurethane foam air samplers were used to measure dicamba concentrations downwind from a 4‐ha soybean field sprayed with dicamba. Dicamba emissions were estimated using backward Lagrangian modeling constrained by the air sample observations. The results indicate that dicamba emissions and downwind transport were significant for several days following application. Further, non‐traited soybeans located within 15–45 m showed substantial dicamba‐related damage. In warmer, drier seasons, increased dicamba emissions caused more severe damage to downwind soybeans, likely worsened by drought stress preventing recovery. Favorable atmospheric conditions that reduced potential drift can be difficult to achieve in terms of the typical weather experienced over agricultural sites in the Upper Midwest. These results indicate that the dicamba reformulation has not adequately prevented significant post‐spray volatilization losses and downwind transport.

Agriculture↗
DOE OSTI2023

Non-parametric Lagrangian biasing from the insights of neural nets

We present a Lagrangian model of galaxy clustering bias in which we train a neural net using the local properties of the smoothed initial density field to predict the late-time mass-weighted halo field.By fitting the mass-weighted halo field in the AbacusSummit simulations at z = 0.5, we find that including three coarsely spaced smoothing scales gives the best recovery of the halo power spectrum. Adding more smoothing scales may lead to 2–5% underestimation of the large-scale power and can cause the neural net to overfit.We find that the fitted halo-to-mass ratio can be well described by two directions in the original high-dimension feature space.Projecting the original features into these two principal components and re-training the neural net either reproduces the original training result, or outperforms it with a better match of the halo power spectrum. The elements of the principal components are unlikely to be assigned physical meanings, partly owing to the features being highly correlated between different smoothing scales.Our work illustrates a potential need to include multiple smoothing scales when studying galaxy bias, and this can be done easily with machine-learning methods that can take in high dimensional input feature space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Search for new physics using effective field theory in 13 TeV pp collision events that contain a top quark pair and a boosted Z or Higgs boson

A data sample containing top quark pairs ($\mathrm{t\bar{t}}$) produced in association with a Lorentz-boosted Z or Higgs boson is used to search for signs of new physics using effective field theory. The data correspond to an integrated luminosity of 138 fb$^{-1}$ of proton-proton collisions produced at a center-of-mass energy of 13 TeV at the LHC and collected by the CMS experiment. Selected events contain a single lepton and hadronic jets, including two identified with the decay of bottom quarks, plus an additional large-radius jet with high transverse momentum identified as a Z or Higgs boson decaying to a bottom quark pair. Machine learning techniques are employed to discriminate between $\mathrm{t\bar{t}}$Z or $\mathrm{t\bar{t}}$H events and events from background processes, which are dominated by $\mathrm{t\bar{t}}$ + jets production. No indications of new physics are observed. The signal strengths of boosted $\mathrm{t\bar{t}}$Z and $\mathrm{t\bar{t}}$H production are measured, and upper limits are placed on the $\mathrm{t\bar{t}}$Z and $\mathrm{t\bar{t}}$H differential cross sections as functions of the Z or Higgs boson transverse momentum. The effects of new physics are probed using a framework in which the standard model is considered to be the low-energy effective field theory of a higher energy scale theory. Eight possible dimension-six operators are added to the standard model Lagrangian and their corresponding coefficients are constrained via fits to the data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Utilizing HYSPLIT for Emergency Response Modeling at SRS

At SRS, emergency responders use a variety of tools to detect, track, and mitigate hazardous material releases into the atmosphere. Two models currently used at SRS are Puff-Plume and the Lagrangian Particle Dispersion Model (LPDM), a Gaussian and Lagrangian model, respectively. A decision has been made to replace LPDM with the more widely-supported Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model for evaluating inhalation and ingestion doses following a release. HYSPLIT is designed to compute complex dispersion and deposition simulation To achieve the implementation of HYSPLIT, we have developed a preliminary UI framework that will allow HYSPLIT to be run on ATG computers without the need for active network connections, thus avoiding the loss of capabilities in the event of a network outage during an emergency.

Earley, Ian↗
DOE OSTI2022

A fully Lagrangian, non-parametric bias model for dark matter halos

Here, we present a non-parametric Lagrangian biasing model and fit the ratio of the halo and mass densities at the field level using the mass-weighted halo field in the AbacusSummit simulations at z=0.5. Unlike the perturbative halo bias model that has been widely used in interpreting the observed large-scale structure traced by galaxies, we find a non-negative halo-to-mass ratio that increases monotonically with the linear overdensity δ 1 in the initial Lagrangian space. The bias expansion, however, does not guarantee non-negativity of the halo counts, and may lead to rising halo number counts at negative overdensities. The shape of the halo-to-mass ratio is unlikely to be described by a polynomial function of δ 1 and other quantities. Especially for massive halos with 6×10 12 h -1 M ⊙ , the halo-to-mass ratio starts soaring up at δ 1 >0, substantially different from the predictions of the bias expansion. We show that for the halo masses we consider (M>3×10 11 h -1 M ⊙ ) a non-parametric halo-to-mass ratio as a function of δ 1 and its local derivative ∇^2δ 1 can recover the halo power spectra to sub-percent level accuracy for wavenumbers k=0.01-0.1 h Mpc -1 given a proper smoothing scale to filter the initial density field, even though we do not fit the power spectrum directly. However, there is mild dependence of the recovery of the halo power spectrum on the smoothing scale and other input parameters. At k<0.01 h Mpc -1 and for massive halos with M>6x10 12 h -1 M ⊙ , our non-parametric model leads to a few percent overestimation of the halo power spectrum, indicating the need for larger or multiple smoothing scales. The halo-to-mass ratios obtained qualitatively agree with intuitions from extended Press-Schechter theory. We compare our framework to the bias expansion and discuss possible extensions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Evaluating the feasibility of using downwind methods to quantify point source oil and gas emissions using continuously monitoring fence-line sensors

The dependable reporting of methane (CH 4 ) emissions from point sources, such as fugitive leaks from oil and gas infrastructure, is important for profit maximization (retaining more hydrocarbons), evaluating climate impacts, assessing CH 4 fees for regulatory programs, and validating CH 4 intensity in differentiated gas programs. Currently, there are disagreements between emissions reported by different quantification techniques for the same sources. It has been suggested that downwind CH 4 quantification methods using CH 4 measurements on the fence line of production facilities could be used to generate emission estimates from oil and gas operations at the site level, but it is currently unclear how accurate the quantified emissions are. To investigate the accuracy of downwind methods, this study uses fence-line simulated data collected during controlled-release experiments as input for a non-standard closed-path eddy covariance (EC), the Gaussian plume inverse model (GPIM), and the backward Lagrangian stochastic (bLs) model in a range of atmospheric conditions. This study's EC attempt was unsuccessful due to data collection and instrumentation issues, resulting in invalid results characterized by underestimated emissions, large negative fluxes, and cospectra/ogives that deviated from their ideal shapes. Consequently, the EC results could not be compared with the GPIM and bLS model. The bLs model demonstrated the highest accuracy for single-release single-point emissions, though it exhibited greater uncertainty than GPIM under multi-release conditions. Across the GPIM and bLs model, the most reliable quantification was achieved with 15 min averaging and a narrow 5° wind sector range. Although EC was limited in this context, future studies should consider employing a standard EC system and further optimizing GPIM and bLs approaches – particularly for complex multi-source scenarios – to enhance quantification accuracy and reduce uncertainty.

03 NATURAL GAS↗
DOE OSTI2020

Evaporation Submodel Development for Volume of Fluid (eVOF) Method Applicable to Spray-Wall Interaction Including Film Characteristics with Validation at High Pressure and Temperature Conditions

Internal combustion engines have seen a great evolution over the last several decades through application of high pressure direct injection, multiple injections, and other technologies to reduced fuel consumption, NOx, and PM. Although combustion systems with advanced injection strategies have been studied extensively, there exists a significant fundamental knowledge gap on the fuel-spray interactions with the piston surface and chamber walls. Advanced computational codes validated with experimental techniques have to be developed for accurate representation of the drop impingement, fuel film formation, and vaporization. Current engine CFD (Computational Fluid Dynamics) spray models utilize a Lagrangian framework for modeling which lacks critical considerations of the physics pertaining to these interactions and thus requiring extensive parameterization, tuning and validation. The team from Michigan Technological University, University of Massachusetts Dartmouth, and Argonne National Laboratory is composed of experts in sprays, combustion, engines and CFD with a wide spectrum of knowledge including specific expertise in the area under consideration. In the proposed work, a VOF (Volume of Fluid) modeling approach has been adopted for the spray-wall interaction, film formation and spreading, and vaporization. With the inclusion of a vaporization submodel, a more predictive and accurate simulation of the spray-film was performed without extensive need of parameterization and tuning. Extensive experimentation of the spray-wall interaction under the range of conditions matching the thermodynamic and surface temperatures that occur in diesel and gasoline engines were conducted to validate the SWI submodels and for development of the evaporation submodel, which has been implemented in the flow solver.

42 ENGINEERING↗
DOE OSTI2020

Evaporation Sub-model Development for Volume of Fluid (eVOF) Method Applicable to Spray-Wall Interaction Including Film Characteristics with Validation at High Pressure and Temperature Conditions (Final Report)

Internal combustion engines have seen a great evolution over the last several decades through application of high pressure direct injection, multiple injections, and other technologies to reduced fuel consumption, NOx, and PM. Although combustion systems with advanced injection strategies have been studied extensively, there exists a significant fundamental knowledge gap on the fuel-spray interactions with the piston surface and chamber walls. Advanced computational codes validated with experimental techniques have to be developed for accurate representation of the drop impingement, fuel film formation, and vaporization. Current engine CFD spray models utilize a Lagrangian framework for modeling which lacks critical considerations of the physics pertaining to these interactions and thus requiring extensive parameterization, tuning and validation. The team from Michigan Technological University, University of Massachusetts Dartmouth, and Argonne National Laboratory is composed of experts in sprays, combustion, engines and CFD with a wide spectrum of knowledge including specific expertise in the area under consideration. In the proposed work, a VOF modeling approach has been adopted for the spray-wall interaction, film formation and spreading, and vaporization. With the inclusion of a vaporization submodel, a more predictive and accurate simulation of the spray-film was performed without extensive need of parameterization and tuning. Extensive experimentation of the spray-wall interaction under the range of conditions matching the thermodynamic and surface temperatures that occur in diesel and gasoline engines were conducted to validate the SWI submodels and for development of the evaporation sub-model, which has been implemented in the Converge software.

42 ENGINEERING↗
DOE OSTI2024

Application of a Comprehensive Lagrangian–Eulerian Spark-Ignition Model to Different Operating Conditions

Increasing engine efficiency is essential to reducing emissions, which is a priority for automakers. Unconventional modes such as boosted and highly dilute operation have the potential to increase engine efficiency but suffer from stability concerns and cyclic variability. To aid engineers in designing ignition systems that reduce cyclic variability in such engine operation modes, reliable and accurate spark-ignition models are necessary. Here, in this article, a Lagrangian–Eulerian spark-ignition (LESI) model is used to simulate electrical discharge, spark channel elongation, and ignition in inert or reacting crossflow within a combustion vessel, at different pressures, flow speeds, and dilution rates. First the model formulation is briefly revisited. Then, the experimental and simulations setups are presented. The results showcase the model’s ability to predict the secondary circuit voltage, current, and power signals, in addition to the spark channel elongation, for the inert cases, or flame front growth, for the reacting cases. The results also compare simulation spark channel and flame growth plots to experimental Schlieren images at different instants in time. This work serves to highlight LESI’s ability to predict the characteristics of discharge and ignition across a variety of operating conditions.

42 ENGINEERING↗
DOE OSTI2025

HIGH-FIDELITY SIMULATION OF SOOT FORMATION AND THERMAL RADIATION IN A LABORATORY-SCALE RICH-QUENCH-LEAN BURNER

High-fidelity simulations of a swirl-stabilized turbulent spray flame in a laboratory-scale aero-combustor have been performed to evaluate the predictability of state-of-the-art models in capturing soot formation. The simulations employ a complex chemical mechanism developed for Jet-A with PAH chemistry, coupled with the Hybrid Method of Moments (HMOM) soot model, and a Lagrangian dilute spray model for the fuel injection. Two simulations are performed to compare the results when thermal radiation is neglected or included in the solution with a mean spectral model. Modeling closures for the soot differential diffusion effects in mixture fraction space, as well as turbulence-radiation interaction are also evaluated using the data generated by the simulations. Given the degree of complexity of the simulation, the results showed good agreement with experimental measurements of the spatial distribution of the soot volume fraction ensemble average. A closer agreement with the experiment is observed when thermal radiation is included in the solution. Thermal radiation is observed to reduce the flame temperature and increase the flame intermittency, denoted by the increase in the temperature standard deviation in mixture fraction space. The reduction in temperature also leads to a reduction in PAH production and soot volume fraction. Turbulence is observed to have different effects on radiative emission depending on the mixture fraction. Turbulent scalar fluctuations significantly enhance radiative emission in fuel lean mixtures and can also play a role for fuel rich conditions. The statistical description of the turbulence-radiation interaction, previously proposed in the literature, was observed to correctly reproduce the high-fidelity results. Model coefficients were provided for swirl-stabilized flames. The soot differential diffusion model, previously proposed in the literature, based on the residual between the exact term and its model approximation, was also evaluated. The residual correction term further improved the agreement with exact differential diffusion term evaluated with the high-fidelity simulation data in mixture fraction space. The results suggest that the effective turbulent Lewis number can be equal to unity in simulations of turbulent non-premixed recirculating flames.

Soriano, Bruno [Sandia National Laboratories (SNL)↗
DOE OSTI2020

The MFiX Particle-in-Cell Method (MFiX-PIC) Theory Guide

MFiX (Multiphase Flow with Interphase eXchanges) is an open-source multiphase flow solver developed at the National Energy Technology Laboratory. Within the code, users have access to a single phase or interpenetrating continua-based multiphase two-fluid model (TFM), a discrete element model (DEM), and a particle-in-cell model (PIC). TFM, DEM, and PIC can all be used to create multiphase simulations that include hydrodynamics, chemical reactions, and heat transfer.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Combined Effect of the Wegener–Bergeron–Findeisen Mechanism and Large Eddies on Microphysics of Mixed-Phase Stratiform Clouds

Abstract The process of glaciation in mixed-phase stratiform clouds was investigated by a novel Lagrangian–Eulerian model (LEM) in which thousands of adjoining Lagrangian parcels moved within a turbulent-like velocity field with statistical parameters typical of the Arctic boundary layer. We used detailed bin microphysics to describe the condensation/evaporation processes in each parcel, in which droplets, aerosols, and ice particles were described using size distributions of 500 mass bins. The model also calculated aerosol mass inside droplets and ice particles. Gravitational sedimentation of droplets and ice particles was also accounted for. Assuming that droplet freezing is the primary source of ice particles, the Arctic clouds observed in Indirect and Semi-Direct Aerosol Campaign (ISDAC) were successfully simulated. The model showed that at a low ice particle concentration typical of ISDAC, large vortices (eddies) led to a quasi-stationary regime, in which mixed-phase St existed for a long time. The large eddies controlled the water partitioning in the mixed-phase clouds. Droplets formed and grew in updrafts, typically reaching the cloud top, and evaporated in downdrafts. Ice particles grew in updrafts and downdrafts. The Wegener–Bergeron–Findeisen (WBF) mechanism was efficient in downdrafts and some parts of updrafts, depending on ice concentration and vertical velocity. At low ice concentrations, the effect of ice on the phase partitioning was negligible. In this regime, liquid droplets were found near the cloud top, whereas ice particles precipitated through the cloud base. When ice concentration exceeded about 10 L −1 , the WBF mechanism led to glaciation of almost the entire cloud, with the exception of narrow cloud regions associated with strong updrafts. At ice particle concentrations of a few tens per liter, the oscillatory regime took place due to the ice–liquid interaction. The microphysical structure of mixed-phase St forms as a combined effect of cloud dynamics (large eddies) and the WBF mechanism.

54 ENVIRONMENTAL SCIENCES↗