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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

A General N -Moment Normalization Method for Deriving Raindrop Size Distribution Scaling Relationships

A general drop size distribution (DSD) normalization method is formulated in terms of generalized power series relating any DSD moment to any number and combination of reference moments. This provides a consistent framework for comparing the variability of normalized DSD moments using different sets of reference moments, with no explicit assumptions about the DSD functional form (e.g., gamma). It also provides a method to derive any unknown moment plus an estimate of its uncertainty from one or more known moments, which is relevant to remote sensing retrievals and bulk microphysics schemes in weather and climate models. Herein, the approach is applied to a large dataset of disdrometer-observed and bin microphysics-modeled DSDs. As expected, the spread of normalized moments decreases as the number of reference moments is increased, quantified by the logarithmic standard deviation of the normalized moments, σ. Averaging σ for all combinations of reference moments and normalized moments of integer order 0–10, 42.9%, 81.3%, 93.7%, and 96.9% of spread are accounted for applying one-, two-, three-, and four-moment normalizations, respectively. Thus, DSDs can be well characterized overall using three reference moments, whereas adding a fourth reference moment contributes little independent information. The spread of disdrometer-observed DSD moments from uncertainty associated with drop count statistics generally lies between values of σ using two- and three-moment normalizations. However, this uncertainty has little impact on the derived DSD scaling relationships or σ when considered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Theoretical Understanding of the Linear Relationship between Convective Updrafts and Cloud-Base Height for Shallow Cumulus Clouds. Part II: Continental Conditions

This is the Part II of a two-part study that seeks a theoretical understanding of an empirical relationship for shallow cumulus clouds: subcloud updraft velocity covaries linearly with the cloud-base height. This work focuses on continental cumulus clouds that are more strongly forced by surface fluxes and more deviated from equilibrium than those over oceans (Part I). We use a simple analytical model for shallow cumulus that is well tested against a high-resolution (25 m in the horizontal) large-eddy simulation model. Consistent with a conventional idea, we find that surface Bowen ratio is the key variable that regulates the covariability of both parameters: under the same solar insolation, a drier surface allows for stronger buoyancy flux, triggering stronger convection that deepens the subcloud layer. We find that the slope of the Bowen-ratio-regulated relationship between the two parameters (defined as λ) is dependent on both the local time and the stability of the lower free atmosphere. The value of λ decreases with time exponentially from sunrise to early afternoon and linearly from early afternoon to sunset. The value of λ is larger in a more stable atmosphere. In addition, continental λ in the early afternoon more than doubles the oceanic λ. Validation of the theoretical results against ground observations over the Southern Great Plains shows a reasonable agreement. Physical mechanisms underlying the findings are explained from the perspective of different time scales at which updrafts and cloud-base height respond to a surface flux forcing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The impact of the $\text{WHIM}$ on the $\text{IGM}$ thermal state determined from the low- z Lyman $\alpha$ forest

At z ≲ 1, shock heating caused by large-scale velocity flows and possibly violent feedback from galaxy formation, converts a significant fraction of the cool gas (T ~ 10 4 K) in the intergalactic medium (IGM) into warm–hot phase (WHIM) with T > 10 5 K, resulting in a significant deviation from the previously tight power-law IGM temperature–density relationship, T = T 0 (P/$\bar{p}$) γ-1 ⁠. This study explores the impact of the WHIM on measurements of the low-z IGM thermal state, [T 0 , γ], based on the b–NH 1 distribution of the Ly α forest. Exploiting a machine learning-enabled simulation-based inference method trained on Nyx hydrodynamical simulations, we demonstrate that [T 0 , γ] can still be reliably measured from the b–NH 1 distribution at z = 0.1, notwithstanding the substantial WHIM in the IGM. To investigate the effects of different feedback, we apply this inference methodology to mock spectra derived from the IllustrisTNG and Illustris simulations at z = 0.1. The results suggest that the underlying [T 0 , γ] of both simulations can be recovered with biases as low as |Δlog(T 0 /K)| ≲ 0.05 dex, |Δγ| ≲ 0.1, smaller than the precision of a typical measurement. Given the large differences in the volume-weighted WHIM fractions between the three simulations (Illustris 38 percent, IllustrisTNG 10 percent, and Nyx 4 per cent), we conclude that the b–N H1 distribution is not sensitive to the WHIM under realistic conditions. Finally, we investigate the physical properties of the detectable Ly α absorbers, and discover that although their T and Δ distributions remain mostly unaffected by feedback, they are correlated with the photoionization rate used in the simulation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Detectability of cosmic dark flow in the type ia supernova redshift-distance relation

We reanalyze the detectability of large-scale dark flow (or local bulk flow) with respect to the CMB background based upon the redshift–distance relation for SN Ia. We made two independent analyses: one based upon identifying the three Cartesian velocity components; and the other based upon the cosine dependence of the deviation from Hubble flow on the sky. We apply these analyses to the Union2.1 SN Ia data and to the SDSS-II supernova survey. For both methods, results for low redshift, z<0.05, are consistent with previous searches. We find a local bulk flow of v {sub bf} ∼ 300 km s{sup −1} in the direction of (l, b) ∼ (270, 35)°. However, the search for a dark flow at z>0.05 is inconclusive. Based upon simulated data sets, we deduce that the difficulty in detecting a dark flow at high redshifts arises mostly from the observational error in the distance modulus. Thus, even if it exists, a dark flow is not detectable at large redshift with current SN Ia data sets. We estimate that a detection would require both significant sky coverage of SN Ia out to z = 0.3 and a reduction in the effective distance modulus error from 0.2 mag to ≲0.02 mag. We estimate that a greatly expanded data sample of ∼10{sup 4} SN Ia might detect a dark flow as small as 300 km s{sup −1} out to z = 0.3 even with a distance modulus error of 0.2 mag. This may be achievable in a next generation large survey like LSST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A new coupling of a GPU-resident large-eddy simulation code with a multiphysics wind turbine simulation tool

The development of new wind farm control strategies can benefit from combined analysis of flow dynamics in the farm and the behavior of individual turbines within one simulation environment. In this work, we present such an environment by developing a new coupling between the large-eddy simulation (LES) code GRASP and the multiphysics wind turbine simulation tool OpenFAST via an actuator line model (ALM). In addition, the implementation of the recently proposed filtered actuator line model (FALM) within the coupling is described. The new ALM implementation is cross-verified with results from four other commonly used research LES codes. The results for the blade loads and the near wake obtained with the new coupling are consistent with the other codes. Deviations are observed in the far wake. The results further indicate that the FALM is able to reduce the lift and power overprediction from which the traditional ALM suffers on coarse LES grids. This new simulation environment paves the way for future wind farm simulations under realistic weather conditions by leveraging GRASP's ability to impose data from large-scale meteorological models as boundary conditions.

17 WIND ENERGY↗
DOE OSTI2015

An extended magnetohydrodynamics model for relativistic weakly collisional plasmas

Black holes that accrete far below the Eddington limit are believed to accrete through a geometrically thick, optically thin, rotationally supported plasma that we will refer to as a radiatively inefficient accretion flow (RIAF). RIAFs are typically collisionless in the sense that the Coulomb mean free path is large compared to GM/c{sup 2}, and relativistically hot near the event horizon. In this paper we develop a phenomenological model for the plasma in RIAFs, motivated by the application to sources such as Sgr A* and M87. The model is derived using Israel–Stewart theory, which considers deviations up to second order from thermal equilibrium, but modified for a magnetized plasma. This leads to thermal conduction along magnetic field lines and a difference in pressure, parallel and perpendicular to the field lines (which is equivalent to anisotropic viscosity). In the non-relativistic limit, our model reduces to the widely used Braginskii theory of magnetized, weakly collisional plasmas. We compare our model to the existing literature on dissipative relativistic fluids, describe the linear theory of the plasma, and elucidate the physical meaning of the free parameters in the model. We also describe limits of the model when the conduction is saturated and when the viscosity implies a large pressure anisotropy. In future work, the formalism developed in this paper will be used in numerical models of RIAFs to assess the importance of non-ideal processes for the dynamics and radiative properties of slowly accreting black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Impact of Advection Schemes on Tracer Interrelationships in Large-Eddy Simulations of Deep Convection

This study investigates the preservation of tracer interrelationships during advection in large-eddy simulations of an idealized deep convective cloud, which is particularly relevant to chemistry, aerosol, and cloud microphysics models. Employing the Cloud Model 1, advection is represented using third-, fifth-, and seventh-order weighted essentially non-oscillatory schemes. As a simplified analogy for cloud hydrometeors and aerosols, several inert passive tracers following linear and nonlinear relationships are initialized after the cloud reaches ~6-km depth. Numerical mixing in the simulated turbulent convective clouds leads to significant deviations from the initial nonlinear relationships between tracers. In these simulations, a considerable fraction of the grid points where the tracers’ nonlinear relationships are altered from advection are classified as unrealistic (e.g., ~13% for the environmental tracers on average), including errors from range-preserving unmixing and overshooting. Errors in the sum of three tracers are also relatively large, ranging between ~1% and 16% for 5% of the grid points in and near the cloud. The magnitude of unrealistic mixing and errors in the sum of three tracers generally increase with the order of accuracy of the advection scheme. These results are consistent across model grid spacings ranging from 50 to 200 m, and across three different flow realizations for each combination of grid spacing and advection scheme tested. Tests employing a previously proposed scalar normalization procedure show substantially reduced errors in the sum of three tracers with a relatively small negative impact on other tracer relationships. This analysis, therefore, suggests efficacy of the normalization procedure when applied to turbulent three-dimensional cloud simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Studies of Zγ production in association with a high-mass dijet system in pp collisions at $\sqrt{s}=8$ TeV with the ATLAS detector

The production of a Z boson and a photon in association with a high-mass dijet system is studied using 20.2 fb -1 of proton-proton collision data at a centre-of-mass energy of $\sqrt{s}$ = 8 TeV recorded with the ATLAS detector in 2012 at the Large Hadron Collider. Final states with a photon and a Z boson decaying into a pair of either electrons, muons, or neutrinos are analysed. Electroweak and total pp → Zγjj cross-sections are extracted in two fiducial regions with different sensitivities to electroweak production processes. Quartic couplings of vector bosons are studied in regions of phase space with an enhanced contribution from pure electroweak production, sensitive to vector-boson scattering processes VV → Zγ. Finally, no deviations from Standard Model predictions are observed and constraints are placed on anomalous couplings parameterized by higher-dimensional operators using effective field theory.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Quality Control Analysis in Real-time (QC-ART): A Tool for Real-time Quality Control Assessment of Mass Spectrometry-based Proteomics Data

Liquid chromatography-mass spectrometry (LC-MS)-based proteomics studies of large sample cohorts can easily require from months to years to complete. Acquiring consistent, high-quality data in such large-scale studies is challenging because of normal variations in instrumentation performance over time, as well as artifacts introduced by the samples themselves, such as those due to collection, storage and processing. Existing quality control methods for proteomics data primarily focus on post-hoc analysis to remove low-quality data that would degrade downstream statistics; they are not designed to evaluate the data in near real-time, which would allow for interventions as soon as deviations in data quality are detected. In addition to flagging analyses that demonstrate outlier behavior, evaluating how the data structure changes over time can aide in understanding typical instrument performance or identify issues such as a degradation in data quality due to the need for instrument cleaning and/or re-calibration. To address this gap for proteomics, we developed Quality Control Analysis in Real-Time (QC-ART), a tool for evaluating data as they are acquired in order to dynamically flag potential issues with instrument performance or sample quality. QC-ART has similar accuracy as standard post-hoc analysis methods with the additional benefit of real-time analysis. We demonstrate the utility and performance of QC-ART in identifying deviations in data quality due to both instrument and sample issues in near real-time for LC-MS-based plasma proteomics analyses of a sample subset of The Environmental Determinants of Diabetes in the Young cohort. We also present a case where QC-ART facilitated the identification of oxidative modifications, which are often underappreciated in proteomic experiments.

Stanfill, Bryan A.↗
DOE OSTI2022

Microstructure in matrix elements

We investigate the simple model of Pennington, Shenker, Stanford and Yang for modeling the density matrix of Hawking radiation, but further include dynamics for EOW branes behind the horizon. This allows interactions that scatter one interior state to another, and also allows EOW loops. At strong coupling, we find that EOW states are no longer random; the ensemble has collapsed, and coupling constants encode the microscopic matrix elements of Hawking radiation. This suggests strong interior dynamics are important for understanding evaporating black holes, without any ensemble average. In this concrete model the density matrix of the radiation deviates from the thermal state, small off-diagonal fluctuations encode equivalences between naively orthogonal states, and bound the entropy from above. For almost evaporated black holes the off-diagonal terms become as large as the diagonal ones, eventually giving a pure state. We also find the unique analytic formula for all Renyi entropies.

2D gravity↗
DOE OSTI2019

Extrusion control for high quality printing on Big Area Additive Manufacturing (BAAM) systems

Big Area Additive Manufacturing (BAAM) is a large format additive manufacturing (AM) process. The size scale has enabled many new applications for AM. However, at this scale, lack of high print resolution and extruder flowrate control lead to potentially significant geometric deviations in the printed part. This paper examines strategies to improve geometric quality in BAAM parts. Multi-resolution printing, extrusion diversion, and feedforward extruder control are examined herein. Furthermore, these methods were all found to be effective in mitigating phenomena detrimental to geometric part quality on the BAAM process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of magnetic fields on HPGe tracking detectors

Here, we present a study of magnetic fields effects on the position resolution and energy response of hyper-pure germanium detectors. Our results provide realistic estimates of the potential impact on the resolving power of tracking-arrays from (fringe) magnetic fields present when operating together with large spectrometers. By solving the equations of motion for the electron and holes in the presence of both electric and magnetic fields, we analyzed the drift trajectories of the charge carriers to determine the deviations in the positions at the end point of the trajectories, as well as changes in drift lengths affecting the energy resolution and peak shift due to trapping. Our results show that the major effect is in the deviation of the transverse (to the electric field direction) position and suggest that, if no corrective action is taken in the pulse-shape and tracking data analysis procedures, a field strength ≳ 0.1 T will start to impact the intrinsic position resolution of 2 mm (RMS). At fields above ~1 T, the degradation of the energy response becomes observable.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Modeling Henry's law and phase separations of water–NaCl–organic mixtures with solvation and ion-pairing

Empirical measurements of solution vapor pressure of ternary acetonitrile (MeCN) H 2 O–NaCl–MeCN mixtures were recorded, with NaCl concentrations ranging from zero to the saturation limit, and MeCN concentrations ranging from zero to an absolute mole fraction of 0.64. After accounting for speciation, the variability of the Henry's law coefficient at vapor–liquid equilibrium (VLE) of MeCN ternary mixtures decreased from 107% to 5.1%. Solute speciation was modeled using a mass action solution model that incorporates solute solvation and ion-pairing phenomena. Two empirically determined equilibrium constants corresponding to solute dissociation and ion pairing were utilized for each solute. When speciation effects were considered, the solid–liquid equilibrium of H 2 O–NaCl–MeCN mixtures appear to be governed by a simple saturation equilibrium constant that is consistent with the binary H 2 O–NaCl saturation coefficient. Further, our results indicate that the precipitation of NaCl in the MeCN ternary mixtures was not governed by changes in the dielectric constant. Our model indicates that the compositions of the salt-induced liquid–liquid equilibrium (LLE) boundary of the H 2 O–NaCl–MeCN mixture correspond to the binary plateau activity of MeCN, a range of concentrations over which the activity remains largely invariant in the binary water–MeCN system. Broader comparisons with other ternary miscible organic solvent (MOS) mixtures suggest that salt-induced liquid–liquid equilibrium exists if: (1) the solution displays a positive deviation from the ideal limits governed by Raoult's law; and (2) the minimum of the mixing free energy profile for the binary water-MOS system is organic-rich. Finally, this work is one of the first applications of speciation-based solution models to a ternary system, and the first that includes an organic solute.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Micro-/nanosized cantilever beams and mass sensors under applied axial tensile/compressive force vibrating in vacuum and viscous fluid

Vibrating micro-/nanosized cantilever beams under an applied axial force are the key components of various devices used in nanotechnology. In this study, we perform a complete theoretical investigation of the cantilever beams under an arbitrary value of the axial force vibrating in a specific environment such as vacuum, air or viscous fluid. Based on the results easy accessible expressions enabling one the fast and highly accurate estimations of changes in the Q-factor and resonant frequencies of beam oscillating in viscous fluid caused by the applied axial force are derived and analyzed. It has been also shown that for beam-to-string and string vibrational regimes the mode shape starts to significantly deviate from the one known for a beam without axial force. Moreover, a linear dependency of the vibrational amplitude in resonance on the dimensionless tension parameter has been found. We revealed that only a large axial force, i.e. the string vibrational regime, significantly improves the Q-factor of beams submerged in fluid, while an increase of the axial force in beam and beam-to-string transition regimes has a negligibly small impact on the Q-factor enhancement. Experiments carried out on the carbon nanotubes and nanowires are in a good agreement with present theoretical predictions.

42 ENGINEERING↗
DOE OSTI2020

The role of rotation-vibration coupling in symmetric and asymmetric isotopomers of ozone

A theoretical framework and a computer code (SpectrumSDT) are developed for accurate calculations of coupled rotational–vibrational states in triatomic molecules using hyper-spherical coordinates and taking into account the Coriolis coupling effect. Concise final formulas are derived for the construction of the Hamiltonian matrix using an efficient combination of the variational basis representation and discrete variable representation methods with locally optimized basis sets and grids. First, the new code is tested by comparing its results with those of the APH3D program of Kendrick et al. [Kendrick, Pack, Walker, and Hayes, J. Chem. Phys. 110, 6673 (1999)]. Then, accurate calculations of the rovibrational spectra are carried out for doubly substituted symmetric ( 18 O 16 O 18 O) and asymmetric ( 18 O 18 O 16 O) ozone isotopomers for the total angular momentum up to J = 5. Together with similar data recently reported for the singly substituted symmetric ( 16 O 18 O 16 O) and asymmetric ( 16 O 16 O 18 O) ozone isotopomers, these calculations quantify the role of the Coriolis coupling effect in the large mass-independent isotopic enrichment of ozone, observed in both laboratory experiments and the atmosphere of the Earth. It is found that the Coriolis effect in ozone is relatively small, as evidenced by deviations of its rotational constants from the symmetric-top-rotor behavior, magnitudes of parity splittings (Λ-doubling), and ratios of rovibrational partition functions for asymmetric vs symmetric ozone molecules. It is concluded that all of these characteristics are influenced by the isotopic masses as much as they are influenced by the overall symmetry of the molecule. It is therefore unlikely that the Coriolis coupling effect could be responsible for symmetry-driven mass-independent fractionation of oxygen isotopes in ozone.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

X-RAY SCALING RELATION IN EARLY-TYPE GALAXIES: DARK MATTER AS A PRIMARY FACTOR IN RETAINING HOT GAS

We have revisited the X-ray scaling relations of early-type galaxies (ETG) by investigating, for the first time, the L{sub X,Gas}-M{sub Total} relation in a sample of 14 ETGs. In contrast to the large scatter (a factor of 10{sup 2}-10{sup 3}) in the L{sub X,Total}-L{sub B} relation, we found a tight correlation between these physically motivated quantities with an rms deviation of a factor of three in L{sub X,Gas} = 10{sup 38}-10{sup 43} erg s{sup –1} or M{sub Total} = a few × 10{sup 10} to a few × 10{sup 12} M{sub ☉}. More striking, this relation becomes even tighter with an rms deviation of a factor of 1.3 among the gas-rich galaxies (with L{sub X,Gas} > 10{sup 40} erg s{sup –1}). In a simple power-law form, the new relation is (L{sub X,Gas}/10{sup 40} erg s{sup –1}) = (M{sub Total}/3.2 × 10{sup 11} M{sub ☉}){sup 3}. This relation is also consistent with the steep relation between the gas luminosity and temperature, L{sub X,Gas} ∼ T{sub Gas} {sup 4.5}, identified by Boroson et al., if the gas is virialized. Our results indicate that the total mass of an ETG is the primary factor in regulating the amount of hot gas. Among the gas-poor galaxies (with L{sub X,Gas} < a few × 10{sup 39} erg s{sup –1}), the scatter in the L{sub X,Gas}-M{sub Total} (and L{sub X,Gas}-T{sub Gas}) relation increases, suggesting that secondary factors (e.g., rotation, flattening, star formation history, cold gas, environment, etc.) may become important.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Challenge of Disproportionate Importance of Temporal Features in Predicting HPC Power Consumption

In this work, we demonstrate the challenges in predicting HPC cluster power consumption in the face of significant temporal skew in power consumption behavioral patterns. Predicting large power swings that extend several megawatts has significant operational value for HPC centers, however, prediction is challenging due to the relative rarity of such events and also due to the abrupt or disjoint deviation from the average power consumption levels. To study the impact of this challenge, we have trained a recurrent neural network (RNN) as a reasonably sophisticated model to predict power consumption of the one-year worth of node power consumption data from the Summit supercomputer located in the Oak Ridge Leadership Computing Facility. By studying the prediction results, we have found that although simple usage of RNN models can provide good results on average power consumption levels, it would fail at predicting the power swings that have more operational value. With such results, we discuss potential next steps in addressing such issues aiming towards a robust usage of power prediction techniques in HPC operations.

Li, Chengcheng↗
DOE OSTI2025

Measurement of the associated production of a top-antitop-quark pair and a Higgs boson decaying into a $b\bar{b}$ pair in pp collisions at $\sqrt{s} = 13$ TeV using the ATLAS detector at the LHC

This paper reports the measurement of Higgs boson production in association with a $t\bar{t}$ pair in the $H$ → $b\bar{b}$ decay channel. The analysis uses 140 fb -1 of 13 TeV proton–proton collision data collected with the ATLAS detector at the Large Hadron Collider. The final states with one or two electrons or muons are employed. An excess of events over the expected background is found with an observed (expected) significance of 4.6 (5.4) standard deviations. The $t\bar{t}$ $H$ cross-section is $σ_{t\bar{t} H}$ = $411^{+101}_{-92}$ fb = $411 ± 54$ (stat.) $^{+85}_{-75}$ (syst.) fb for a Higgs boson mass of 125.09 GeV, consistent with the prediction of the Standard Model of $507^{+35}_{-75}$ fb. The cross-section is also measured differentially in bins of the Higgs boson transverse momentum within the simplified template cross-section framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗