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CJ15 global PDF analysis with new electroweak data from the STAR and SeaQuest experiments
We present updates to a recent CTEQ-Jefferson Lab (CJ) global analysis of parton distribution functions with a new set of electroweak data that provide unique access to quark flavor separation in the proton. In particular, recent W and Z boson measurements from the STAR experiment at RHIC put additional constraints on light quarks and antiquarks near the valence regime. The new measurement of the Drell-Yan lepton pair production ratio in p+p and p+d collisions by the SeaQuest experiment at Fermilab extends the large-x coverage of the previous E866 experiment and sheds new light on the light antiquarks distribution. In this report, the impact of these new data sets on parton distribution functions will be presented with emphasis given to the flavor asymmetry of the light antiquark sea at large values of the parton momentum x.
Park, Sanghwa↗
Monte Carlo or Monty Karlow? or: How I Learned to Stop Worrying and Love the Empirical History-Score PDF
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Kulesza, Joel A.↗
Examination of probability distribution of mixture fraction in LES/FDF modelling of a turbulent partially premixed jet flame
An accurate prediction of the probability density function (PDF) of the mixture fraction is crucial to the prediction of combustion since mixing plays an important role in turbulent non-premixed and partially premixed flames. This work provides an assessment of the large-eddy simulation (LES)/filtered density function (FDF) method for the prediction of the PDF of the mixture fraction. The advantage of the LES/FDF method is that it provides the full predictions of the statistical distribution of scalars including the mixture fraction. The predictive accuracy of the method for the PDF is yet to be fully validated. Assessing the prediction of the PDF of the mixture fraction, a conserved scalar, is an important starting point. The Sydney/Sandia inhomogeneous inlet jet flame is used as a test case. A quick comparison shows that the LES/FDF predicted PDF shapes of the mixture fraction deviate significantly from the commonly presumed Beta-PDF as well as from the experimental data in the flame. Here, to examine the source of the discrepancy, we clarify the different PDF definitions used in the comparison among the predictions, measurements, and the presumed shape PDFs. The discrepancy observed from the comparison is largely reconciled by clarifying the difference between the PDFs that are examined. The PDF of the resolved mixture fraction is shown to be close to the Beta-PDF in both the measurements and predictions, while the PDF directly deduced from the LES/FDF particles deviates significantly from the Beta-PDF. A multimodal PDF analysis and a pseudo convergence analysis are conducted to provide plausible evidence to support the predicted multimodal PDF shapes. The sub-filter scale FDF is shown to be close to the Beta-PDF too through the construction of a synthesized PDF, which supports the common presumed Beta-PDF assumption used in the presumed PDF methods when combined with LES.
42 ENGINEERING↗
Scalar Dissipation Modeling for Passive and Active Scalars: a priori Study Using Direct Numerical Simulation
Transitional databases from Direct Numerical Simulation (DNS) of three-dimensional mixing layers for single-phase flows and two-phase flows with evaporation are analyzed and used to examine the typical hypothesis that the scalar dissipation Probability Distribution Function (PDF) may be modeled as a Gaussian. The databases encompass a single-component fuel and four multicomponent fuels, two initial Reynolds numbers (Re), two mass loadings for two-phase flows and two free-stream gas temperatures. Using the DNS calculated moments of the scalar-dissipation PDF, it is shown, consistent with existing experimental information on single-phase flows, that the Gaussian is a modest approximation of the DNS-extracted PDF, particularly poor in the range of the high scalar-dissipation values, which are significant for turbulent reaction rate modeling in non-premixed flows using flamelet models. With the same DNS calculated moments of the scalar-dissipation PDF and making a change of variables, a model of this PDF is proposed in the form of the (beta)-PDF which is shown to approximate much better the DNS-extracted PDF, particularly in the regime of the high scalar-dissipation values. Several types of statistical measures are calculated over the ensemble of the fourteen databases. For each statistical measure, the proposed (beta)-PDF model is shown to be much superior to the Gaussian in approximating the DNS-extracted PDF. Additionally, the agreement between the DNS-extracted PDF and the (beta)-PDF even improves when the comparison is performed for higher initial Re layers, whereas the comparison with the Gaussian is independent of the initial Re values. For two-phase flows, the comparison between the DNS-extracted PDF and the (beta)-PDF also improves with increasing free-stream gas temperature and mass loading. The higher fidelity approximation of the DNS-extracted PDF by the (beta)-PDF with increasing Re, gas temperature and mass loading bodes well for turbulent reaction rate modeling.
scalar dissipation modeling↗
An Overview of the NCC Spray/Monte-Carlo-PDF Computations
This paper advances the state-of-the-art in spray computations with some of our recent contributions involving scalar Monte Carlo PDF (Probability Density Function), unstructured grids and parallel computing. It provides a complete overview of the scalar Monte Carlo PDF and Lagrangian spray computer codes developed for application with unstructured grids and parallel computing. Detailed comparisons for the case of a reacting non-swirling spray clearly highlight the important role that chemistry/turbulence interactions play in the modeling of reacting sprays. The results from the PDF and non-PDF methods were found to be markedly different and the PDF solution is closer to the reported experimental data. The PDF computations predict that some of the combustion occurs in a predominantly premixed-flame environment and the rest in a predominantly diffusion-flame environment. However, the non-PDF solution predicts wrongly for the combustion to occur in a vaporization-controlled regime. Near the premixed flame, the Monte Carlo particle temperature distribution shows two distinct peaks: one centered around the flame temperature and the other around the surrounding-gas temperature. Near the diffusion flame, the Monte Carlo particle temperature distribution shows a single peak. In both cases, the computed PDF's shape and strength are found to vary substantially depending upon the proximity to the flame surface. The results bring to the fore some of the deficiencies associated with the use of assumed-shape PDF methods in spray computations. Finally, we end the paper by demonstrating the computational viability of the present solution procedure for its use in 3D combustor calculations by summarizing the results of a 3D test case with periodic boundary conditions. For the 3D case, the parallel performance of all the three solvers (CFD, PDF, and spray) has been found to be good when the computations were performed on a 24-processor SGI Origin work-station.
Raju, M. S.↗
PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format
The layout of portable document format (PDF) files is constant to any screen, and the metadata therein are latent, compared to mark-up languages such as HTML and XML. No semantic tags are usually provided, and a PDF file is not designed to be edited or its data interpreted by software. However, data held in PDF files need to be extracted in order to comply with opensource data requirements that are now government-regulated. In the chemical domain, related chemical and property data also need to be found, and their correlations need to be exploited to enable data science in areas such as data-driven materials discovery. Such relationships may be realized using text-mining software such as the “chemistry-aware” natural-language-processing tool, ChemDataExtractor; however, this tool has limited data-extraction capabilities from PDF files. This study presents the PDFDataExtractor tool, which can act as a plug-in to ChemDataExtractor. It outperforms other PDF-extraction tools for the chemical literature by coupling its functionalities to the chemical-named entityrecognition capabilities of ChemDataExtractor. The intrinsic PDF-reading abilities of ChemDataExtractor are much improved. The system features a template-based architecture. This enables semantic information to be extracted from the PDF files of scientific articles in order to reconstruct the logical structure of articles. While other existing PDF-extracting tools focus on quantity mining, this template-based system is more focused on quality mining on different layouts. PDFDataExtractor outputs information in JSON and plain text, including the metadata of a PDF file, such as paper title, authors, affiliation, email, abstract, keywords, journal, year, document object identifier (DOI), reference, and issue number. With a self-created evaluation article set, PDFDataExtractor achieved promising precision for all key assessed metadata areas of the document text.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Towards the extraction of the crystal cell parameters from pair distribution function profiles
The approach based on atomic pair distribution function (PDF) has revolutionized structural investigations by X-ray/electron diffraction of nano or quasi-amorphous materials, opening up the possibility of exploring short-range order. However, the ab initio crystal structural solution by the PDF is far from being achieved due to the difficulty in determining the crystallographic properties of the unit cell. A method for estimating the crystal cell parameters directly from a PDF profile is presented, which is composed of two steps: first, the type of crystal cell is inferred using machine-learning approaches applied to the PDF profile; second, the crystal cell parameters are extracted by means of multivariate analysis combined with vector superposition techniques. The procedure has been validated on a large number of PDF profiles calculated from known crystal structures and on a small number of measured PDF profiles. The lattice determination step has been benchmarked by a comprehensive exploration of different classifiers and different input data. The highest performance is obtained using the k -nearest neighbours classifier applied to whole PDF profiles. Descriptors calculated from the PDF profiles by recurrence quantitative analysis produce results that can be interpreted in terms of PDF properties, and the significance of each descriptor in determining the prediction is evaluated. The cell parameter extraction step depends on the cell metric rather than its type. Monometric, dimetric and trimetric cells have top-1 estimates that are correct 40, 20 and 5% of the time, respectively. Promising results were obtained when analysing real nanocrystals, where unit cells close to the true ones are found within the top-1 ranked solution in the case of monometric cells and within the top-6 ranked solutions in the case of dimetric cells, even in the presence of a crystalline impurity with a weight fraction up to 40%.
36 MATERIALS SCIENCE↗
Orientation of Planar Deformation Features (PDFs) in quartz
Differently oriented single crystal quartz was shocked experimentally at pressures of 20 to 32 GPa and pre-shock temperatures up to 630 C. Based on this systematic investigation, we can demonstrate that the orientation of planar deformation features in quartz is not only dependent on shock pressure but also on pre-shock temperature and shock direction. Moreover, the orientation of Planar Deformation Features (PDF's) is strongly influenced by the set-up in recovery experiments. PDF's in quartz are defined as optically recognizable, planar microstructures diagnostically produced by shock compression. PDF's differ from all kinds of microstructures found in volcanic environment and therefore, their presence is a primary criterion for recognizing impact craters and ejecta layers such as the K/T boundary. Because experiments have shown a pressure dependence of the orientation of PDF's, this property is used extensively for shock wave barometry in natural impact sites. However, the unreflected application of experimental results neglects that parameters such as pre-shock temperature, shock direction, or the experimental arrangement may influence the spatial distribution of PDF's. In order to test this assumption, shock experiments on single crystal quartz at pre-shock temperatures of 20, 275, 540, and 630 C, and with shock directions (1010) and (0001) were performed. Most of the recovery experiments were carried out by using a reverberation technique, whereas in only one experiment a single shock was produced (impedance method). In the former case 0.5 mm thin discs of single crystal quartz were used, in the latter a 15 mm thick cylinder. The orientation of PDF's was measured by means of a conventional universal stage and the results are given. Effects of the experimentation technique can be derived showing the orientation of PDF's in quartz shocked at 27.5 GPa. In comparison to the well defined peaks at (1012) found in samples from reverberation experiments, the impedance matching technique causes PDF's with a broad distribution pattern and indistinct maxima. Our results have serious implications for shock-wave barometry in nature: the existing classification scheme which relates PDF orientation exclusively to shock pressure is no longer applicable. In consequence more experimental data is needed.
Langenhorst, F.↗
A Validation Summary of the NCC Turbulent Reacting/non-reacting Spray Computations
This pper provides a validation summary of the spray computations performed as a part of the NCC (National Combustion Code) development activity. NCC is being developed with the aim of advancing the current prediction tools used in the design of advanced technology combustors based on the multidimensional computational methods. The solution procedure combines the novelty of the application of the scalar Monte Carlo PDF (Probability Density Function) method to the modeling of turbulent spray flames with the ability to perform the computations on unstructured grids with parallel computing. The calculation procedure was applied to predict the flow properties of three different spray cases. One is a nonswirling unconfined reacting spray, the second is a nonswirling unconfined nonreacting spray, and the third is a confined swirl-stabilized spray flame. The comparisons involving both gas-phase and droplet velocities, droplet size distributions, and gas-phase temperatures show reasonable agreement with the available experimental data. The comparisons involve both the results obtained from the use of the Monte Carlo PDF method as well as those obtained from the conventional computational fluid dynamics (CFD) solution. Detailed comparisons in the case of a reacting nonswirling spray clearly highlight the importance of chemistry/turbulence interactions in the modeling of reacting sprays. The results from the PDF and non-PDF methods were found to be markedly different and the PDF solution is closer to the reported experimental data. The PDF computations predict that most of the combustion occurs in a predominantly diffusion-flame environment. However, the non-PDF solution predicts incorrectly that the combustion occurs in a predominantly vaporization-controlled regime. The Monte Carlo temperature distribution shows that the functional form of the PDF for the temperature fluctuations varies substantially from point to point. The results also bring to the fore some of the deficiencies associated with the use of assumed-shape PDF methods in spray computations.
Raju, M. S.↗
Fully consistent Eulerian Monte Carlo fields method for solving probability density function transport equations in turbulence modeling
The probability density function (PDF) transport equation method is a sophisticated model for the closure of turbulent mixing and turbulent reactive flows. An efficient solution approach for solving the PDF transport equation has been vital for the method to be widely used in applications. The Eulerian Monte Carlo fields (EMCF) method has been developed to solve the PDF transport equation efficiently for decades. A recent work by Wang et al. revealed a serious issue of the EMCF method for not being fully consistent with the PDF transport equation for which the method is designed to solve. This work advances the state of the art by introducing fully consistent EMCF methods for solving the PDF transport equation. The fully consistent EMCF formulations are derived for two different PDF equation forms. The consistency of the EMCF formulations is mathematically confirmed by examining the derived moment transport equations from the EMCF formulations and from the PDF transport equation. The method of manufactured solutions is employed to further verify the consistency and convergence of the different EMCF formulations numerically. The newly introduced EMCF formulations bring the EMCF method to full consistency with the PDF transport equations for the first time.
42 ENGINEERING↗
Toward the first gluon parton distribution from the LaMET
Abstract We present progress towards the first unpolarized gluon quasi-parton distribution function (PDF) from lattice quantum chromodynamics using high-statistics measurements for hadrons at two valence pion masses M π ≈ 310 and 690 MeV computed on an a ≈ 0.12 fm ensemble with 2 + 1 + 1-flavors of highly improved staggered quark generated by the MILC collaboration. In this study, we consider two gluon operators for which the hybrid-ratio renormalization matching kernels have been recently derived and a third operator that has been used in prior pseudo-PDF studies of the gluon PDFs. We compare the matrix elements for each operator for both the nucleon and pion, at both pion masses, and using two gauge-smearing techniques. Focusing on the more phenomenologically studied nucleon gluon PDF, we compare the ratio and hybrid-ratio renormalized matrix elements at both pion masses and both smearings to those reconstructed from the nucleon gluon PDF from the CT18 global analysis. We identify the best choice of operator to study the gluon PDF and present the first gluon quasi-PDF under some caveats. Additionally, we explore the recent idea of Coulomb gauge fixing to improve signal at large Wilson-line displacement and find it could be a major help in improving the signal in the gluon matrix elements. This work helps identify the best operator for studying the gluon quasi-PDF, shows higher hadron boost momentum is needed to implement hybrid-ratio renormalization reliably, and suggests the need to study more diverse set of operators with their corresponding perturbative calculations for hybrid-ratio renormalization to further gluon quasi-PDF study.
Good, William (ORCID:0000000184281003)↗
Stellar angular momentum distribution linked to galaxy morphology
ABSTRACT We study the spatially resolved stellar specific angular momentum j* in a high-quality sample of 24 Calar Alto Legacy Integral Field Area galaxies covering a broad range of visual morphology, accounting for stellar velocity and velocity dispersion. The shape of the spaxelwise probability density function of normalized s = j*/j*mean, PDF(s), deviates significantly from the near-universal initial distribution expected of baryons in a dark matter halo and can be explained by the expected baryonic effects in galaxy formation that remove and redistribute angular momentum. Further we find that the observed shape of the PDF(s) correlates significantly with photometric morphology, where late-type galaxies have a PDF(s) that is similar to a normal distribution, whereas early types have a strongly skewed PDF(s) resulting from an excess of low-angular momentum material. Galaxies that are known to host pseudo-bulges (bulge Sérsic index nb < 2.2) tend to have less skewed bulge PDF(s), with skewness (b1rb) ≲ 0.8. The PDF(s) encodes both kinematic and photometric information and appears to be a robust tracer of morphology. Its use is motivated by the desire to move away from traditional component-based classifications which are subject to observer bias, to classification on a galaxy’s fundamental (stellar mass and angular momentum) properties. In future, PDF(s) may also be useful as a kinematic decomposition tool.
Sweet, Sarah M.↗
Position-dependent matter density probability distribution function
Here, we introduce the position-dependent probability distribution function (PDF) of the smoothed matter field as a cosmological observable. In comparison to the PDF itself, the spatial variation of the position-dependent PDF is simpler to model and has distinct dependence on cosmological parameters. We demonstrate that the position-dependent PDF is characterized by variations in the local mean density, and we compute the linear response of the PDF to the local density using separate universe N-body simulations. The linear response of the PDF to the local density field can be thought of as the linear bias of regions of the matter field selected based on density. We provide a model for the linear response, which accurately predicts our simulation measurements. We also validate our results and test the separate universe consistency relation for the local PDF using global universe simulations. We find excellent agreement between the two, and we demonstrate that the separate universe method gives a lower variance determination of the linear response.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film
An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI , is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.
3D pair distribution functions↗
Voltage Probability Density Function Shaping Control Strategy Considering Grid Operational Uncertainties
It is well-known that power systems operation always affected by various uncertainties which make the bus voltage a random process that can be characterized by its probability density function (PDF) at any time instant. In this context, this paper presents a novel PDF-based voltage control framework for power systems. By modeling voltage as a stochastic process, we formulate a stochastic differential equationthat captures grid uncertainties. The associated Fokker-Planck-Kolmogorov equation is derived to describe the evolution of the voltage PDF, which enables the formulation of a PDF-shaping control strategy. To simplify the PDF control formulation, a B-spline neural network is introduced for real-time estimation and regulation of the voltage distribution. The proposed PDF control law updates voltage references for energy storage systems and synchronous generators using real-time PDF measurements and feedback signals. The proposed method is validated on a modified Kundur’s two-area system. Simulation results demonstrate that the controller can significantly improve the voltage stability under stochastic conditions, highlighting its effectiveness in modern inverter-rich grids.
Gui, Yonghao [ORNL] (ORCID:0000000250435534)↗
Numerical solutions of the complete Navier-Stokes equations
The objective of this study is to compare the use of assumed pdf (probability density function) approaches for modeling supersonic turbulent reacting flowfields with the more elaborate approach where the pdf evolution equation is solved. Assumed pdf approaches for averaging the chemical source terms require modest increases in CPU time typically of the order of 20 percent above treating the source terms as 'laminar.' However, it is difficult to assume a form for these pdf's a priori that correctly mimics the behavior of the actual pdf governing the flow. Solving the evolution equation for the pdf is a theoretically sound approach, but because of the large dimensionality of this function, its solution requires a Monte Carlo method which is computationally expensive and slow to coverage. Preliminary results show both pdf approaches to yield similar solutions for the mean flow variables.
Hassan, H. A.↗
Improved Modeling of Finite-Rate Turbulent Combustion Processes in Research Combustors
The objective of this thesis is to further develop and test a stochastic model of turbulent combustion in recirculating flows. There is a requirement to increase the accuracy of multi-dimensional combustion predictions. As turbulence affects reaction rates, this interaction must be more accurately evaluated. In this work a more physically correct way of handling the interaction of turbulence on combustion is further developed and tested. As turbulence involves randomness, stochastic modeling is used. Averaged values such as temperature and species concentration are found by integrating the probability density function (pdf) over the range of the scalar. The model in this work does not assume the pdf type, but solves for the evolution of the pdf using the Monte Carlo solution technique. The model is further developed by including a more robust reaction solver, by using accurate thermodynamics and by more accurate transport elements. The stochastic method is used with Semi-Implicit Method for Pressure-Linked Equations. The SIMPLE method is used to solve for velocity, pressure, turbulent kinetic energy and dissipation. The pdf solver solves for temperature and species concentration. Thus, the method is partially familiar to combustor engineers. The method is compared to benchmark experimental data and baseline calculations. The baseline method was tested on isothermal flows, evaporating sprays and combusting sprays. Pdf and baseline predictions were performed for three diffusion flames and one premixed flame. The pdf method predicted lower combustion rates than the baseline method in agreement with the data, except for the premixed flame. The baseline and stochastic predictions bounded the experimental data for the premixed flame. The use of a continuous mixing model or relax to mean mixing model had little effect on the prediction of average temperature. Two grids were used in a hydrogen diffusion flame simulation. Grid density did not effect the predictions except for peak temperature and tangential velocity. The hybrid pdf method did take longer and required more memory, but has a theoretical basis to extend to many reaction steps which cannot be said of current turbulent combustion models.
VanOverbeke, Thomas J.↗