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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Extending the thermodynamic form factor bootstrap program: multiple particle-hole excitations, crossing symmetry, and reparameterization invariance

In this study, we further the thermodynamic bootstrap program which involves a set of recently developed ideas used to determine thermodynamic form factors of local operators in integrable quantum field theories. These form factors are essential building blocks for dynamic correlation functions at finite temperatures or non-equilibrium stationary states. In this work we extend this program in three ways. Firstly, we demonstrate that the conjectured annihilation pole axiom is valid in the low energy particle-hole excitations. Secondly, we introduce a crossing relation, which establishes a connection between form factors with different excitation content. Typically, the crossing relation is a consequence of Lorentz invariance, but due to the finite energy density of the considered states, Lorentz invariance is broken. Nonetheless a crossing relation involving excitations with both particles and holes can established using the finite volume representation of the thermodynamic form factors. Finally, we demonstrate that the thermodynamic form factors satisfy a reparameterization invariance, an invariance which encompasses crossing. Reparameterization invariance exploits the fact that the details of the representation of the thermodynamic state are unimportant. In the course of developing these results, we demonstrate the internal consistency of the thermodynamic form factor bootstrap program in a number of ways. Finally, we provide explicit computations of form factors of conserved charges and densities with crossed excitations and show our results can be used to infer information about thermodynamic form factors in the Lieb-Liniger model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Monte Carlo Simulation and Reconstruction: Assessment of Myocardial Perfusion Imaging of Tracer Dynamics With Cardiac Motion Due to Deformation and Respiration Using Gamma Camera With Continuous Acquisition

Purpose: Myocardial perfusion imaging (MPI) with single photon emission computed tomography (SPECT) is routinely used for stress testing in nuclear medicine. Recently, our group extended its potential going from 3D visual qualitative image analysis to 4D spatiotemporal reconstruction of dynamically acquired data to capture the time variation of the radiotracer concentration and the estimated myocardial blood flow (MBF) and coronary flow reserve (CFR). However, the quality of reconstructed image is compromised due to cardiac deformation and respiration. The work presented here develops an algorithm that reconstructs the dynamic sequence of separate respiratory and cardiac phases and evaluates the algorithm with data simulated with a Monte Carlo simulation for the continuous image acquisition and processing with a slowly rotating SPECT camera. Methods: A clinically realistic Monte Carlo (MC) simulation is developed using the 4D Extended Cardiac Torso (XCAT) digital phantom with respiratory and cardiac motion to model continuous data acquisition of dynamic cardiac SPECT with slowly rotating gamma cameras by incorporating deformation and displacement of the myocardium due to cardiac and respiratory motion. We extended our previously developed 4D maximum-likelihood expectation-maximization (MLEM) reconstruction algorithm for a data set binned from a continuous list mode (LM) simulation with cardiac and respiratory information. Our spatiotemporal image reconstruction uses splines to explicitly model the temporal change of the tracer for each cardiac and respiratory gate that delineates the myocardial spatial position as the tracer washes in and out. Unlike in a fully list-mode data acquisition and reconstruction the accumulated photons are binned over a specific but very short time interval corresponding to each cardiac and respiratory gate. Reconstruction results are presented showing the dynamics of the tracer in the myocardium as it continuously deforms. These results are then compared with the conventional 4D spatiotemporal reconstruction method that models only the temporal changes of the tracer activity. Mean Stabilized Activity (MSA), signal to noise ratio (SNR) and Bias for the myocardium activities for three different target-to-background ratios (TBRs) are evaluated. Dynamic quantitative indices such as wash-in (K1) and wash-out (k2) rates at each gate were also estimated. Results: The MSA and SNR are higher with higher TBRs while biases were improved with higher TBRs to less than 10%. The correlation between exhalation-inhalation sequence with the ground truth during respiratory cycle was excellent. Our reconstruction method showed better resolved myocardial walls during diastole to systole as compared to the ungated 4D image. Estimated values of K1 and k2 were also consistent with the ground truth. Conclusion: The continuous image acquisition for dynamic scan using conventional two-head gamma cameras can provide valuable information for MPI. Our study demonstrated the viability of using a continuous image acquisition method on a widely used clinical two-head SPECT system. Our reconstruction method showed better resolved myocardial walls during diastole to systole as compared to the ungated 4D image. Precise implementation of reconstruction algorithms, better segmentation techniques by generating images of different tissue types and background activity would improve the feasibility of the method in real clinical environment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

SU-D-16A-07: Photobleaching Predicts Necrosis in Interstitial PDT

Purpose: Dosimetry for PDT has proven to be a challenge thus far, and for prediction of PDT outcome, a singlet oxygen model based on fundamental photophysical parameters has been developed. Previously, the photobleaching effect of photosensitizers was taken into account in the singlet oxygen explicit dosimetry model; here we report of direct measurements of photobleaching in the same model to assess the conditions under which implicit dosimetry using photobleaching can serve as an intermediate surrogate for PDT damage. Methods: Fluorescence spectra were measured interstitially in sensitized mouse tumors prior to after irradiation via a cylindrical diffuser. Photobleaching was determined by the relative decrease in fluorescence amplitude from the initial pre-treatment measurement. Spectra were analyzed by singular value decomposition to determine the photosensitizer concentration. Different photosensitizers were used to see the effect of photobleaching on PDT outcome and the impact of fluence on photobleaching. The drugs used were BPD (at two drug-light intervals), HPPH, and Photofrin. PDT outcome was determined by tumor necrosis radii measured upon sectioning and staining of treated tumors. Results: Post-PDT photosentizer concentrations were compared to initial pre-PDT photosensitizer concentrations, and the decrease was greater with a higher fluence measured during treatment. Furthermore, photobleaching and necrosis radius were found to be positively correlated. The relationship between photobleaching and necrosis radius is sensitizer-dependent, however the differences among sensitizers can be understood in terms of their respective photophysical parameters. Conclusions: Photobleaching is predictive of PDT outcome, but a comprehensive singlet oxygen model, has the potential to further improve the prediction of PDT outcome and the understanding of implicit dosimetry.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Unified Description of Cuprate Superconductors by Fractionalized Electrons Emerging from Integrated Analyses of Photoemission Spectra and Quasiparticle Interference

Electronic structure of high-temperature superconducting cuprates is studied by analyzing experimental data independently obtained from two complementary spectroscopies: one, quasiparticle interference (QPI) measured by scanning-tunneling microscopy, and the other, angle-resolved photoemission spectroscopy (ARPES). We combine these two sets of data in a unified theoretical analysis. Through explicit calculations of experimentally measurable quantities, we show that a simple two-component fermion model (TCFM) representing electron fractionalization succeeds in reproducing various detailed features of these experimental data: ARPES and QPI data are concomitantly reproduced by the TCFM in full energy and momentum spaces. The measured QPI pattern reveals a signature characteristic of the TCFM, distinct from the conventional single-component prediction, supporting the validity of the electron fractionalization in the cuprates. The integrated analysis also solves the puzzles of ARPES and QPI data that are seemingly inconsistent with each other. The overall success of the TCFM offers a comprehensive understanding of the electronic structure of the cuprates, in particular, the unoccupied side of the spectra, of which momentum-resolved structure has long been unexplored experimentally. We further predict that a characteristic QPI pattern should appear in the unoccupied high-energy part if the fractionalization is at work. We propose that integrated-spectroscopy analyses offer a promising way to explore challenging issues of strongly correlated electron systems.

Sakai, Shiro [Sophia University; RIKEN Center for ↗
DOE OSTI2026

Kinematic and dynamical origins of mean-p T fluctuations in heavy-ion collisions

Event-by-event fluctuations of the mean transverse momentum (mean-p T ) provide a sensitive probe of collective dynamics beyond single-particle spectra and anisotropic flow. We present a systematic study of mean-p T fluctuation observables using a Bayesian-calibrated multistage hydrodynamic framework, including quantitative comparisons to RHIC measurements and model-based investigations of beam-energy and kinematic-acceptance effects. The experimental definitions employed by the STAR and ALICE Collaborations are implemented explicitly and found to yield consistent results within controlled limits. We study the centrality and beam-energy dependence of the observable, its sensitivity to key soft-sector ingredients, and the impact of the kinematic p T acceptance. By introducing scaled-p T cuts, we demonstrate that a part of the apparent energy dependence arises from kinematic projection effects, while the remaining trends reflect genuine collective dynamics. Our results establish mean-p T fluctuations as a nontrivial and independent validation of calibrated hydrodynamic descriptions of the quark–gluon plasma.

Event-by-event correlations↗
NASA NTRSDate not supplied

A Large-Eddy Simulation Of Turbulent Flow Over A Backward Facing Step

Large-eddy simulation (LES) was used to study the turbulent flow over a backward facing step. The simulations examine the details of the turbulent flow’s separated and reattaching regions created by the step geometry. An explicit high-order of accuracy/high resolution finite-difference computational fluid dynamics solver was used for both LES and Reynolds-averaged Navier-Stokes (RANS) simulations. The experimental data from the backward facing step experiment of Driver and Seegmiller was used for comparison. Data presented are derived from a RANS simulation using the Spalart-Allmaras turbulence model and LES simulations using the implicit LES assumption on three different grids of varying resolution. The RANS solution agrees with past work. It does an adequate job of predicting the flowfield and reattachment point, but misses details such as the strength of the recirculating region and magnitudes of the Reynolds stresses. The synthetic eddy method was used to provide a turbulent inflow to the quasi-2D LES domains. For the LES, the coarse grid was of insufficient resolution and under-predicted the skin friction coefficient and over-predicted the normal stresses. The finer grid LES results accurately predict the skin friction coefficient and provide more accurate Reynolds stresses. Triple product velocity correlations are also computed from the LES and the finer grid results did a good job predicting the magnitudes of the curves and the shapes were reasonably represented. It is recommended that future work include investigating the turbulent inflow domain length, width of the quasi-2D domain, and additional grid refinement

turbulence↗
NASA NTRSDate not supplied

A Large-Eddy Simulation Of Turbulent Flow Over A Backward Facing Step

Large-eddy simulation (LES) was used to study the turbulent flow over a backward facing step. The simulations examine the details of the turbulent flow's separated and reattaching regions created by the step geometry. An explicit high-order of accuracy/high resolution finite-difference computational fluid dynamics solver was used for both LES and Reynolds-averaged Navier-Stokes (RANS) simulations. The experimental data from the backward facing step experiment of Driver and Seegmiller was used for comparison. Data presented are derived from a RANS simulation using the Spalart-Allmaras turbulence model and LES simulations using the implict LES assumption on three different grids of varying resolution. The RANS solution agrees with past work. It does an adequate job of predicting the flowfield and reattachment point, but misses details such as the strength of the recirculating region and magnitudes of the Reynolds stresses. The synthetic eddy method was used to provide a turbulent inflow to the quasi-2D LES domains. For the LES, the coarse grid was of insufficient resolution and under-predicted the skin friction coefficient and over-predicted the normal stresses. The finer grid LES results accurately predict the skin friction coefficient and provide more accurate Reynolds stresses. Triple product velocity correlations are also computed from the LES and the finer grid results did a good job predicting the magnitudes of the curves and the shapes were reasonably represented. It is recommended that future work include investigating the turbulent inflow domain length, width of the quasi-2D domain, and additional grid refinement.

turbulence↗
NASA NTRS1991

Visually guided control of movement in the context of multimodal stimulation

Flight simulation has been almost exclusively concerned with simulating the motions of the aircraft. Physically distinct subsystems are often combined to simulate the varieties of aircraft motion. Visual display systems simulate the motion of the aircraft relative to remote objects and surfaces (e.g., other aircraft and the terrain). 'Motion platform' simulators recreate aircraft motion relative to the gravitoinertial vector (i.e., correlated rotation and tilt as opposed to the 'coordinated turn' in flight). 'Control loaders' attempt to simulate the resistance of the aerodynamic medium to aircraft motion. However, there are few operational systems that attempt to simulate the motion of the pilot relative to the aircraft and the gravitoinertial vector. The design and use of all simulators is limited by poor understanding of postural control in the aircraft and its effect on the perception and control of flight. Analysis of the perception and control of flight (real or simulated) must consider that: (1) the pilot is not rigidly attached to the aircraft; and (2) the pilot actively monitors and adjusts body orientation and configuration in the aircraft. It is argued that this more complete approach to flight simulation requires that multimodal perception be considered as the rule rather than the exception. Moreover, the necessity of multimodal perception is revealed by emphasizing the complementarity rather than the redundancy among perceptual systems. Finally, an outline is presented for an experiment to be conducted at NASA ARC. The experiment explicitly considers possible consequences of coordination between postural and vehicular control.

Riccio, Gary E.↗
DOE OSTI2014

Solvent friction effects propagate over the entire protein molecule through low-frequency collective modes

Protein solvation dynamics has been investigated using atom-dependent Langevin friction coefficients derived directly from molecular dynamics (MD) simulations. To determine the effect of solvation on the atomic friction coefficients, solution and vacuum MD simulations were performed for lysozyme and staphylococcal nuclease and analyzed by Langevin mode analysis. The coefficients thus derived are roughly correlated with the atomic solvent-accessible surface area (ASA), as expected from the fact that friction occurs as the result of collisions with solvent molecules. However, a considerable number of atoms with higher friction coefficients are found inside the core region. Hence, the influence of solvent friction propagates into the protein core. The internal coefficients have large contributions from the low-frequency modes, yielding a simple picture of the surface-to-core long-range damping via solvation governed by collective low-frequency modes. To make use of these findings in implicit-solvent modeling, we compare the all-atom friction results with those obtained using Langevin dynamics (LD) with two empirical representations: the constant-friction and the ASA-dependent (Pastor Karplus) friction models. The constant-friction model overestimates the core and underestimates the surface damping whereas the ASA-dependent friction model, which damps protein atoms only on the solvent-accessible surface, reproduces well the friction coefficients for both the surface and core regions observed in the explicit-solvent MD simulations. Furthermore, in LD simulation, the solvent friction coefficients should be imposed only on the protein surface.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2021

Validation Assessment for the Soil Moisture Active Passive (SMAP) Level 4 Carbon (L4_C) Data Product Version 5

The post-launch Cal/Val phase of the SMAP mission is guided by two primary objectives for each science product team: 1) to calibrate, verify, and improve the performance of the science algorithms, and 2) validate accuracies of the science data products as specified in the SMAP Level-1 mission science requirements. Algorithm science and product maintenance activities during the SMAP extended mission phase have also involved periodic algorithm calibration and product refinements to maintain or enhance product consistency and performance as well as science utility. This report provides an assessment of the latest (Version 5) SMAP Level 4 Carbon (L4_C) product. The L4_C Version 5 (v5) global record now spans more than six years (March 2015 – present) of SMAP operations and has benefited from five major reprocessing updates to the operational product. These reprocessing events and L4_C product release updates have incorporated various algorithm refinements and calibration adjustments to account for similar refinements to the upstream GEOS land model assimilation system, SMAP brightness temperatures, and MODIS vegetation inputs used for L4_C processing. The SMAP L4_C algorithms utilize a terrestrial carbon flux model informed by daily surface and root zone soil moisture information contributed from the SMAP Level 4 Soil Moisture (L4_SM) product along with optical remote sensing-based (e.g. MODIS-based) land cover and canopy fractional photosynthetic active radiation (fPAR), and other ancillary biophysical data. The carbon flux model estimates global daily net ecosystem CO2 exchange (NEE) and the component carbon fluxes, namely, vegetation gross primary production (GPP) and soil heterotrophic respiration (Rh). Other L4_C product elements include surface (~0-5 cm depth) soil organic carbon (SOC) stocks and associated environmental constraints to these processes, including soil moisture-related controls on GPP and ecosystem respiration (Kimball et al. 2014, Jones et al. 2017). The L4_C product addresses SMAP carbon cycle science objectives by: 1) providing a direct link between terrestrial carbon fluxes and underlying freeze/thaw and soil moisture-related constraints to these processes, 2) documenting primary connections between terrestrial water, energy and carbon cycles, and 3) improving understanding of terrestrial carbon sink activity. The SMAP L4_C algorithms and operational product are mature and at a CEOS Validation Stage 4 level (Jackson et al. 2012) based on extensive validation of the multi-year record against a diverse array of independent benchmarks, well characterized global performance, and systematic refinements gained from five major reprocessing events. There are no Level-1 mission science requirements for the L4_C product; however, self-imposed requirements have been established focusing on NEE as the primary product field for validation, and on demonstrating L4_C accuracy and success in meeting product science requirements (Jackson et al. 2012). The other L4_C product fields also have strong utility for carbon science applications (e.g., Liu et al. 2019, Endsley et al. 2020); however, analysis of these other fields is considered secondary relative to primary validation activities focusing on NEE. The L4_C targeted accuracy requirements are to meet or exceed a mean unbiased root-mean-square error (ubRMSE, or standard deviation of the error) for NEE of 1.6 g C m-2 d-1 and 30 g C m-2 yr-1, emphasizing northern (≥45°N) boreal and arctic ecosystems; this accuracy is similar to that of tower eddy covariance measurement-based observations (Baldocchi 2008). Methods used for the latest v5 L4_C product performance and validation assessment have been established from the SMAP Cal/Val plan and previous studies (Jackson et al. 2012, Jones et al. 2017) and include: 1) consistency evaluations of the product fields against earlier product releases (version 4 or earlier); 2) comparisons of daily carbon flux estimates with independent tower eddy 4covariance measurement-based daily carbon (CO2) flux observations from core tower validation sites (CVS); and 3) consistency checks against other global carbon products, including soil carbon inventory records, global GPP records derived from tower observation upscaling methods, and satellite-based observations of canopy solar induced chlorophyll fluorescence (SIF) as a surrogate for GPP. Metrics used to evaluate relative agreement between L4_C product fields and observational benchmarks include correlation (r-value), RMSE differences, bias and model sensitivity diagnostics. Following these validation criteria, the present report provides a validation assessment of the latest L4_C product release (v5). Detailed descriptions of the L4_C algorithm and additional global product accuracy and performance results are given elsewhere (Jones et al. 2017, Endsley et al. 2020). The v5 L4_C product replaces earlier product versions and continues to show: (i) accuracy and performance levels meeting or exceeding SMAP L4_C science requirements; (ii) improvement over the previous product version (version 4); and (iii) suitability for a diversity of science applications. Example L4_C applications from the recent literature include clarifying environmental trends and controls on the northern terrestrial carbon sink (Liu et al. 2019), diagnosing drought-related impacts on ecosystem productivity (Li et al. 2020), and regional monitoring of cropland conditions for projecting annual yields (Wurster et al. 2020). 2EXPECTED L4_C ALGORITHM AND PRODUCTPERFORMANCE The L4_C algorithm performance, including variance and uncertainty estimates of model outputs, was determined during the mission pre-launch phase through spatially explicit model sensitivity studies using available model inputs similar to those currently being used for operational production and evaluating the resulting model simulations over the observed range of northern (≥45 °N) and global conditions (Kimball et al. 2012, Entekhabi et al. 2014). The L4_C algorithm options were also evaluated during the mission prelaunch phase, including deriving canopy fPAR from lower order NDVI (Normalized Difference Vegetation Index) inputs in lieu of using MODIS (MOD15) fPAR; and including an explicit model representation of boreal fire disturbance recovery impacts. These results indicated that the L4_C accuracy requirements (i.e., NEE ubRMSE ≤ 30 g C m-2 yr-1or ≤ 1.6 g C m-2 d-1) could be met from the baseline algorithms over more than 82% and 89% of global and northern vegetated land areas, respectively (Yi et al. 2013, Kimball et al. 2014). The global L4_C algorithm error budget for NEE derived during the mission prelaunch phase indicated that the estimated NEE ubRMSE uncertainty is proportional to GPP and is therefore larger in higher biomass productivity areas, including forests and croplands (Kimball et al. 2014). Likewise, NEE ubRMSE uncertainty is expected to be lower in less-productive areas, including grasslands and shrublands. Expected model NEE ubRMSE levels were also generally within targeted accuracy levels for characteristically less-productive boreal and Arctic biomes, even though relative model error as a proportion of total productivity (NEE RMSE / GPP) may be large in these areas. The estimated NEE uncertainty was lower than expected in some warmer tropical high biomass productivity areas (e.g. Amazon rainforest) because of reduced low temperature and moisture constraints to the L4_C respiration calculations so that the bulk of model uncertainty is contributed by GPP in these areas. Model NEE uncertainty in the African Congo was estimated to

SMAP↗
DOE OSTI2024

Modeling microbial carbon fluxes and stocks in global soils from 1901 to 2016

Abstract. Soil microbes play a crucial role in the carbon (C) cycle; however, they have been overlooked in predicting the terrestrial C cycle. We applied a microbial-explicit Earth system model – the Community Land Model-Microbe (CLM-Microbe) – to investigate the dynamics of soil microbes during 1901 to 2016. The CLM-Microbe model was able to reproduce the variations of gross (GPP) and net (NPP) primary productivity, heterotrophic (HR) and soil (SR) respiration, microbial (MBC) biomass C in fungi (FBC) and bacteria (BBC) in the top 30 cm and 1 m, and dissolved (DOC) and soil organic C (SOC) in the top 30 cm and 1 m during 1901–2016. During the study period, simulated C variables increased by approximately 12 PgC yr−1 for HR, 25 PgC yr−1 for SR, 1.0 PgC for FBC and 0.4 PgC for BBC in 0–30 cm, and 1.2 PgC for FBC and 0.7 PgC for BBC in 0–1 m. Increases in microbial C fluxes and pools were widely found, particularly at high latitudes and in equatorial regions, but we also observed their decreases in some grids. Overall, the area-weighted averages of HR, SR, FBC, and BBC in the top 1 m were significantly correlated with those of soil moisture and soil temperature in the top 1 m. These results suggested that microbial C fluxes and pools were jointly governed by vegetation C input and soil temperature and moisture. Our simulations revealed the spatial and temporal patterns of microbial C fluxes and pools in response to environmental change, laying the foundation for an improved understanding of soil microbial roles in the global terrestrial C cycle.

He, Liyuan↗
DOE OSTI2017

Liquid-gas phase transitions and C K symmetry in quantum field theories

A general field-theoretic framework for the treatment of liquid-gas phase transitions is developed. Starting from a fundamental four-dimensional field theory at nonzero temperature and density, an effective three-dimensional field theory is derived. The effective field theory has a sign problem at finite density. Although finite density explicitly breaks charge conjugation C , there remains a symmetry under C K , where K is complex conjugation. Here, we consider four models: relativistic fermions, nonrelativistic fermions, static fermions and classical particles. The interactions are via an attractive potential due to scalar field exchange and a repulsive potential due to massive vector exchange. The field-theoretic representation of the partition function is closely related to the equivalence of the sine-Gordon field theory with a classical gas. The thermodynamic behavior is extracted from C K -symmetric complex saddle points of the effective field theory at tree level. In the cases of nonrelativistic fermions and classical particles, we find complex saddle point solutions but no first-order transitions, and neither model has a ground state at tree level. The relativistic and static fermions show a liquid-gas transition at tree level in the effective field theory. The liquid-gas transition, when it occurs, manifests as a first-order line at low temperature and high density, terminated by a critical end point. The mass matrix controlling the behavior of correlation functions is obtained from fluctuations around the saddle points. Due to the C K symmetry of the models, the eigenvalues of the mass matrix are not always real but can be complex. This then leads to the existence of disorder lines, which mark the boundaries where the eigenvalues go from purely real to complex. The regions where the mass matrix eigenvalues are complex are associated with the critical line. In the case of static fermions, a powerful duality between particles and holes allows for the analytic determination of both the critical line and the disorder lines. Depending on the values of the parameters, either zero, one, or two disorder lines are found. Our numerical results for relativistic fermions give a very similar picture.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Effects of radiative heat transfer on the turbulence structure in inert and reacting mixing layers

We use large-eddy simulation to study the interaction between turbulence and radiative heat transfer in low-speed inert and reacting plane temporal mixing layers. An explicit filtering scheme based on approximate deconvolution is applied to treat the closure problem arising from quadratic nonlinearities of the filtered transport equations. In the reacting case, the working fluid is a mixture of ideal gases where the low-speed stream consists of hydrogen and nitrogen and the high-speed stream consists of oxygen and nitrogen. Both streams are premixed in a way that the free-stream densities are the same and the stoichiometric mixture fraction is 0.3. The filtered heat release term is modelled using equilibrium chemistry. In the inert case, the low-speed stream consists of nitrogen at a temperature of 1000 K and the highspeed stream is pure water vapour of 2000 K, when radiation is turned off. Simulations assuming the gas mixtures as gray gases with artificially increased Planck mean absorption coefficients are performed in which the large-eddy simulation code and the radiation code PRISSMA are fully coupled. In both cases, radiative heat transfer is found to clearly affect fluctuations of thermodynamic variables, Reynolds stresses, and Reynolds stress budget terms like pressure-strain correlations. Source terms in the transport equation for the variance of temperature are used to explain the decrease of this variance in the reacting case and its increase in the inert case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The Bayesian reconstruction of the in-medium heavy quark potential from lattice QCD and its stability

We report recent results of a non-perturbative determination of the static heavy-quark potential in quenched and dynamical lattice QCD at finite temperature. The real and imaginary part of this complex quantity are extracted from the spectral function of Wilson line correlators in Coulomb gauge. To obtain spectral information from Euclidean time numerical data, our study relies on a novel Bayesian prescription that differs from the Maximum Entropy Method. We perform simulations on quenched 32{sup 3} × N{sub τ} (β = 7.0, ξ = 3.5) lattices with N{sub τ} = 24, …, 96, which cover 839MeV ≥ T ≥ 210MeV. To investigate the potential in a quark-gluon plasma with light u,d and s quarks we utilize N{sub f} = 2 + 1 ASQTAD lattices with m{sub l} = m{sub s}/20 by the HotQCD collaboration, giving access to temperatures between 286MeV ≥ T ≥ 148MeV. The real part of the potential exhibits a clean transition from a linear, confining behavior in the hadronic phase to a Debye screened form above deconfinement. Interestingly its values lie close to the color singlet free energies in Coulomb gauge at all temperatures. We estimate the imaginary part on quenched lattices and find that it is of the same order of magnitude as in hard-thermal loop perturbation theory. From among all the systematic checks carried out in our study, we discuss explicitly the dependence of the result on the default model and the number of datapoints.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2021

Trend Detection of Atmospheric Time Series: Incorporating Appropriate Uncertainty Estimates and Handling Extreme Events

This paper is aimed at atmospheric scientists without formal training in statistical theory. Its goal is to, 1) provide a critical review of the rationale for trend analysis of the time series typically encountered in the field of atmospheric chemistry; 2) describe a range of trend-detection methods; and 3) demonstrate effective means of conveying the results to a general audience. Trend detections in atmospheric chemical composition data are often challenged by a variety of sources of uncertainty, which often behave differently to other environmental phenomena such as temperature, precipitation rate, or stream flow, and may require specific methods depending on the science questions to be addressed. Some sources of uncertainty can be explicitly included in the model specification, such as autocorrelation and seasonality, but some inherent uncertainties are difficult to quantify, such as data heterogeneity and measurement uncertainty due to the combined effect of short- and long-term natural variability, instrumental stability, and aggregation of data from sparse sampling frequency. Failure to account for these uncertainties might result in an inappropriate inference of the trends and their estimation errors. On the other hand, the variation in extreme events might be interesting for different scientific questions, for example, the frequency of extremely high surface ozone events and their relevance to human health. In this study we aim to, 1) review trend detection methods for addressing different levels of data complexity in different chemical species; 2) demonstrate that the incorporation of scientifically interpretable covariates can outperform pure numerical curve fitting techniques in terms of uncertainty reduction and improved predictability; 3) illustrate the study of trends based on extreme quantiles that can provide insight beyond standard mean or median based trend estimates; and 4) present an advanced method of quantifying regional trends based on the inter-site correlations of multi-site data. All demonstrations are based on time series of observed trace gases relevant to atmospheric chemistry, but the methods can be applied to other environmental data sets.

Trace gas↗
DOE OSTI2019

Numerical Simulation of Critical Factors Controlling Heat Extraction from Geothermal Systems Using a Closed-Loop Heat Exchange Method

Closed-loop heat exchange for geothermal energy production involves injecting working fluid down a well that extends through the geothermal resource over a significant length to absorb heat by conduction through the well pipe. The well then needs to return to the surface for energy recovery and fluid re-injection to complete the cycle. We have carried out mixed convective-conductive fluid-flow modeling using a wellbore flow model for TOUGH2 called T2Well to investigate the critical factors that control closed-loop geothermal energy recovery. T2Well solves a mixed explicit-implicit set of momentum equations for flow in the pipe with full coupling to the implicit three-dimensional integral finite difference equations for Darcy flow in the porous medium. T2Well has the option of modeling conductive heat flow from the porous medium to the pipe by means of a semi-analytical solution which makes the computation very efficient because the porous medium does not have to be discretized. When the fully three-dimensional option is chosen, the porous medium is discretized and heat flow to the pipe is by conduction and convection, depending on reservoir permeability and other factors. Simulations of the closed-loop system for a variety of parameter values have been carried out to elucidate the heat recovery process. To the extent that convection may occur to aid in heat delivery to the pipe, the permeability of the geothermal reservoir, whether natural or stimulated, is an important property in heat extraction. The injection temperature and flow rate of the working fluid strongly control the ultimate energy recovery. Pipe diameter also plays a strong role in heat extraction, but is correlated with flow rate. Similarly, the choice of working fluid plays an important role, with water showing better heat extraction than CO2 for certain flow rates, while the CO2 has higher pressure at the production wellhead which can aid in surface energy recovery. In general, we find complex interactions between the critical factors that will require advanced computational approaches to fully optimize.

Oldenburg, Curtis↗
NASA NTRS2015

Observations and Numerical Modeling of the Jovian Ribbon

Multiple wavelength observations made by the Hubble Space Telescope in early 2007 show the presence of a wavy, high-contrast feature in Jupiter's atmosphere near 30 degrees North. The "Jovian Ribbon," best seen at 410 nanometers, irregularly undulates in latitude and is time-variable in appearance. A meridional intensity gradient algorithm was applied to the observations to track the Ribbon's contour. Spectral analysis of the contour revealed that the Ribbon's structure is a combination of several wavenumbers ranging from k equals 8-40. The Ribbon is a dynamic structure that has been observed to have spectral power for dominant wavenumbers which vary over a time period of one month. The presence of the Ribbon correlates with periods when the velocity of the westward jet at the same location is highest. We conducted numerical simulations to investigate the stability of westward jets of varying speed, vertical shear, and background static stability to different perturbations. A Ribbon-like morphology was best reproduced with a 35 per millisecond westward jet that decreases in amplitude for pressures greater than 700 hectopascals and a background static stability of N equals 0.005 per second perturbed by heat pulses constrained to latitudes south of 30 degrees North. Additionally, the simulated feature had wavenumbers that qualitatively matched observations and evolved throughout the simulation reproducing the Jovian Ribbon's dynamic structure.

Saturnian Ribbon↗