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At least 343 records · Page 19

Memory access optimization for particle operations in computational fluid dynamics-discrete element method simulations

Computational Fluid Dynamics - Discrete Element Method is used to model gas-solid systems in several applications in energy, pharmaceutical and petrochemical industries. Computational performance bottlenecks often limit the problem sizes that can be simulated at industrial scale. The data structures used to store several millions of particles in such large-scale simulations have a large memory footprint that does not fit into the processor cache hierarchies on current high-performance-computing platforms, leading to reduced computational performance. This paper specifically addresses this aspect of memory access bottlenecks in industrial scale simulations. The use of space-filling curves to improve memory access patterns is described and their impact on computational performance is quantified in both shared and distributed memory parallelization paradigms. The Morton space filling curve applied to uniform grids and k-dimensional tree partitions are used to reorder the particle data-structure thus improving spatial and temporal locality in memory. The performance impact of these techniques when applied to two benchmark problems, namely the homogeneous-cooling-system and a fluidized-bed, are presented. We report these optimization techniques lead to approximately two-fold performance improvement in particle focused operations such as neighbor-list creation and data-exchange, with ~ 1.5 times overall improvement in a fluidization simulation with 1.27 million particles.

97 MATHEMATICS AND COMPUTING↗

Analysis of parton distributions in a pion with Bézier parametrizations

We explore the role of parametrizations for nonperturbative QCD functions in global analyses, with a specific application to extending a phenomenological analysis of the parton distribution functions (PDFs) in the charged pion realized in the xFitter fitting framework. The parametrization dependence of PDFs in our pion fits substantially enlarges the uncertainties from the experimental sources estimated in the previous analyses. We systematically explore the parametrization dependence by employing a novel technique to automate generation of polynomial parametrizations for PDFs that makes use of Bézier curves. This technique is implemented in a ++ module that is included in the xFitter program. Our analysis reveals that the sea and gluon distributions in the pion are not well disentangled, even when considering measurements in leading-neutron deep inelastic scattering. For example, the pion PDF solutions with a vanishing gluon and large quark sea are still experimentally allowed, which elevates the importance of ongoing lattice and nonperturbative QCD calculations, together with the planned pion scattering experiments, for conclusive studies of the pion structure. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Re-calibration of PBX9501 SURF model

PBX 9501 is a plastic bonded explosive composed of 95 wt % HMX and a binder; see [Gibbs and Popolato, 1980, pp. 109–119]. SURF is a reactive burn model for shock initiation and propagation of detonation waves. It has previously been calibrated for PBX 9501. Here the SURF model is recalibrated for PBX 9501; specifically, lot 730-010 at ρ = 1.837 g/cc 3 . The new calibration uses the Davis reactants and products EOS calibrated for the AWSD model [Aslam et al., 2020]. The burn rate in the shock initiation regime is fit to the Pop plot from 5 embedded gauge shock-to-detonation transition (SDT) experiments from [Gustavsen et al., 1999, see fig 12 and table 5]. In the propagation regime, the burn rate is fit to curvature effect data (detonation speed as function of front curvature); see [Aslam, 2007]. Also the burn parameters are adjusted to fit the gap-stick experiment [Hill et al., 2018]. Simulating the detonation wave speed in this experiment requires a model that is accurate for initiation with complex shock loading; in particular, a pressure decreasing gradient behind a curved lead shock. This is more difficult than calibrating to the standard SDT experiments which are 1-D and driven by a sustained shock. Simulations of the gap-stick experiment for PBX 9501 with the SURF model will be discussed in a subsequent report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Avoiding biases in binned fits

Abstract Binned maximum likelihood fits are an attractive option when analysing large datasets, but require care when computing likelihoods of continuous PDFs in bins.For many years the widely used statistical modelling package evaluated probabilities at the bin centre, leading to significant biases for strongly curved probability density functions.We demonstrate the biases with real-world examples, and introduce a PDF class to that removes these biases.The physics and computation performance of this new class are discussed.

Instruments & Instrumentation↗

A preference for cold dark matter over Superfluid Dark Matter in local Milky Way data

There are many well-known correlations between dark matter and baryons that exist on galactic scales. These correlations can essentially be encompassed by a simple scaling relation between observed and baryonic accelerations, historically known as the Mass Discrepancy Acceleration Relation (MDAR). The existence of such a relation has prompted many theories that attempt to explain the correlations by invoking additional fundamental forces on baryons. The standard lore has been that a theory that reduces to the MDAR on galaxy scales but behaves like cold dark matter (CDM) on larger scales provides an excellent fit to data, since CDM is desirable on scales of clusters and above. However, this statement should be revised in light of recent results showing that a fundamental force that reproduces the MDAR is challenged by local Milky Way dynamics and rotation curve data between 5–18 kpc. In this study, we test this claim on the example of Superfluid Dark Matter. We find that a standard CDM model is preferred over a static superfluid profile assuming a steady-state Galactic disk and discuss the robustness of this conclusion to disequilibrium effects. This preference is due to the fact that the superfluid model over-predicts vertical accelerations, even while reproducing galactic rotation curves. Our results establish an important criterion that any dark matter model must satisfy within the Milky Way.

79 ASTRONOMY AND ASTROPHYSICS↗

Determining circuit model parameters from operation data for PV system degradation analysis: $\mathrm{PVPRO}$

Physics-based circuit parameters like series and shunt resistance are essential to provide insights into the degradation status of photovoltaic (PV) arrays. However, calculating these parameters typically requires a full current-voltage characteristic (I-V curve), the acquisition of which involves specific measurement devices and costly methods. Thus, I-V curves of the PV system level are often not available. Here this paper proposes a methodology (PVPRO) to estimate these I-V curve parameters using only operation (string-level DC voltage and current) and weather data (irradiance and temperature). PVPRO first performs multi-stage data pre-processing to remove noisy data. Next, the time-series DC data are used to fit an equivalent circuit single-diode model (SDM) to estimate the circuit parameters by minimizing the differences between the measured and estimated values. In this way, the time evolutions of the SDM parameters are obtained. We evaluate PVPRO on synthetic datasets and find an excellent estimation of both SDM and the key I-V parameters (e.g., open-circuit voltage, short-circuit current, maximum power, etc.) with an average relative error of 0.55%. The performance, especially the extracted degradation rate of parameters, is robust to various measurement noises and the presence of faults. In addition, PVPRO is applied to a 271 kW PV field system. The relative error between the real and estimated operation voltage and current is less than 1%, suggesting that degradation trends are well captured. PVPRO represents a promising open-source tool to extract the time-series degradation trends of key PV parameters from routine operation data.

14 SOLAR ENERGY↗

Systematics of the chemical freeze-out line in the high baryon density regime explored at SIS100

The systematic uncertainties of chemical freeze-out fits at SIS100 energies (Au+Au reactions at $\sqrt{s_{NN}}$ = 3 – 5 GeV) are studied using UrQMD simulations. Although hadron production in UrQMD does not occur on a sharp chemical freeze-out hyper-surface, the extracted fit quality is shown to be very good. The extracted chemical parameters depend on the selected hadron species as well as the underlying equation of state (EoS) of the matter. Including light nuclei and anti-protons in the fit increases the expected freeze-out temperature, while a stiffer EoS increases the obtained chemical potential. Similarly, the baryon densities extracted by the thermal fits depend on the choice of hadrons as well as the underlying equation of state. These results are important for the upcoming CBM@FAIR physics program and highlight that a degree of caution is advised when one relates the chemical freeze-out curve to features on the QCD phase diagram like the critical endpoint or a possible phase transition.

Hofmann, Emma Lilith [GSI Helmholtzzentrum für Sch↗

Catalytic co-pyrolysis of LDPE and PET with HZSM-5, H-beta, and HY: experiments and kinetic modelling

In this study, the catalytic pyrolysis of low-density polyethylene (LDPE), polyethylene terephthalate (PET) and their mixture (1 : 1 wt/wt) with three zeolite catalysts (HZSM-5, H-beta, HY) was investigated using a thermogravimetric analyzer (TGA) and a Pyroprobe® micro-reactor coupled to a gas chromatograph mass spectrometer (Py-GC/MS). The TGA results demonstrated that during pyrolysis at 10 °C min –1 , on average, zeolite catalysts decreased the maximum decomposition temperature by 149 °C for LDPE while only decreasing by 8 °C for PET. The derivative thermogravimetric (DTG) curve evidenced interactions when the two polymers were catalytically co-pyrolyzed for all the three catalysts. A lumped nth order reaction scheme was able to accurately model both non-catalytic and catalytic pyrolysis and co-pyrolysis by using the least squares fitting approach for determining the kinetic parameters. The kinetic model was able to model well the interaction effects observed during catalytic co-pyrolysis of LDPE and PET with HZSM-5, H-beta, and HY (Fit% Wt% > 96%, Fit% DTG > 94%). Py-GC/MS experiments for the catalytic fast pyrolysis of LDPE revealed that HZSM-5 resulted in the highest selectivity to aromatic hydrocarbons (31.6%) and HY resulted in the highest selectivity to gasoline range C 5 –C 10 paraffins and olefins (40.9%). Catalytic fast pyrolysis of PET showed high selectivity to benzene for all the catalysts (>43%) and that HZSM-5 resulted in the highest selectivity to polyaromatic hydrocarbons (24.7%). Finally, the catalytic fast co-pyrolysis of LDPE and PET revealed interaction effects for all the three catalysts evidenced by a positive synergy% for alkylated benzenes (3–142%) and polyaromatics (105–187%) with a concomitant negative synergy% for benzene (24–36%) and C 5 –C 10 paraffins and olefins (27–53%).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A fusion relevant data-driven engineering void swelling model for 9Cr tempered martensitic steels

The UCSB database on cavity evolution in 9-12Cr tempered martensitic steels (TMS), includes the results for both dual heavy and helium ion (DII), and High Flux Isotope Reactor (HFIR) in situ helium injection (ISHI) neutron irradiations at 500°C. These results were combined with literature single ion and fission neutron irradiation data to derive a model for the void volume fraction, f v , as a function of displacements per atom (dpa) and transmutant helium concentrations in atomic parts per million (appm). The scientific foundation for the paper is described in a companion paper entitled “Cavity Evolution and Void Swelling in Dual Ion Irradiated Tempered Martensitic Steels”. Here, in this study, we show that f v (dpa, He/dpa) is described by the incubation dose, dpa i , for the onset of void growth, and the post-incubation growth rate, f v ’(%/dpa). Both dpa i and f v ’ decrease with increasing He/dpa at > ~ 5. The dpa i is also lower for the ISHI neutron irradiations at the same He/dpa. Single heavy ion and fission reactor neutron irradiations, with low He/dpa ratios, have a much larger dpa i . Based on a combined analysis of DII, single ion, ISHI and fission neutron data, we further show that the post-incubation f v data analyzed here have a common empirical curve shape, with f v ’ reaching up to ~ 0.2%/dpa at very high dpa. We also show that f v ’ can be predicted based on a physical model of defect partitioning between evolving sinks. At 500°C and fusion relevant He/dpa ≈ 10, the best-fit model predicts nominal swelling, S = f v /(1-f v ), of ~ 1.1, 4.9 and 16% at 50, 100 and 200 dpa, respectively. The physically motivated, data-driven model includes estimated uncertainties for both dpa i and f v ’.

36 MATERIALS SCIENCE↗

Uniform modelling of the stellar density of thirteen tidal streams within the Galactic halo

ABSTRACT We present the results of fitting a flexible stellar stream density model to a collection of thirteen streams around the Milky Way, using photometric data from DES, DECaLS, and Pan-STARRS. We construct density maps for each stream and characterize their tracks on the sky, width, and distance modulus curves along the length of each stream. We use these measurements to compute lengths and total luminosities of streams and identify substructures. Several streams show prominent substructures, such as stream broadening, gaps, large deviations of stream tracks, and sharp changes in stream densities. Examining the group of streams as a population, as expected we find that streams with globular cluster progenitors are typically narrower than those with dwarf galaxy progenitors, with streams around 100 pc wide showing overlap between the two populations. We also note the average luminosity of globular cluster streams is significantly lower than the typical luminosity of intact globular clusters. The likely explanation is that observed globular cluster streams preferentially come from lower luminosity and lower density clusters. The stream measurements done in a uniform manner presented here will be helpful for more detailed stream studies such as identifying candidate stream members for spectroscopic follow up and stellar stream dynamical modelling.

79 ASTRONOMY AND ASTROPHYSICS↗

Deuterated Xylene-Based Neutron Spectrometry

Deuterated scintillators, such as deuterated xylene (C8D10) have been theorized to offer better pulse shape discrimination (PSD) and neutron spectrometry performance than traditional protiated scintillators due to the anisotropy of neutron scattering on deuterium. However, the light output responses of said deuterated scintillators to monoenergetic has not been characterized in its entirety at both high and low energies. Several time-of-flight experiments were conducted at the Idaho national Laboratory to characterize a pair of EJ-301D deuterated xylene detectors. The low energy detector response to quasi-monoenergetic neutrons was measured using a Cf-252 source, and the high energy detector response was measured using a D-T source and angles of 20, 45, and 60 deg, corresponding to theoretical neutron energies of 13.2, 10.4, and 8.2 MeV. During post-processing, the neutron and gamma bands were clearly able to be separated, even at low light outputs, solidifying the superior PSD capability of deuterated xylene. An exponential of fit of LO=0.63E-2.22*(1-exp(-0.25E)), which has good agreement with previously measured data, was found as the light output response from deuteron recoils. Additionally, measurements of AmBe, D-T, and D-D sources were unfolded using the light output response curve, which resulted in favorable agreement with theoretical values. Further testing of the response matrix by unfolding more sources (such as PuBe) needs to be done, but the unfolding accuracy for currently available sources suggests that deuterated xylene can be used to measure and unfold both fission, monoenergetic, and continuous spectra.

scintillator↗

Analysis of Two Models for the Angular Structure of the Outflows Producing the Swift/XRT “Larger-angle Emission” of Gamma-Ray Bursts

The quasi-instantaneous emission from a relativistic surface endowed with a Lorentz factor that decreases away from the outflow symmetry axis can naturally explain the three phases observed by Swift X-Ray Telescope (XRT) in gamma-ray bursts (GRBs) and their afterglows (GRB tail, afterglow plateau, and postplateau) based only on the angular change of the relativistic Doppler boost across the outflow surface. We develop further the analytical formalism of the “larger-angle emission” model for the case of “n-exponential” outflows (where the Lorentz factor Γ dependence of the angular location θ is Γ ~ exp{-(θ/θ c ) n }), and compare its ability to account for the X-ray emission of XRT afterglows relative to that of “power-law” outflows (Γ ∼ θ −g ). Power-law outflows yield longer afterglow plateaus, followed by slower postplateau flux decays than n-exponential outflows, features which may be used in identifying which type of angular structure is at work in a given afterglow. Identifying the Γ(θ) angular structure that accommodates XRT light curves is slightly complicated by the fact that the afterglow X-ray light curve is also determined by how two characteristics of the comoving-frame emission spectrum (peak energy $E'_p$ and peak intensity $i'_p$) change with the angular location or, equivalently, with the Lorentz factor. Here, we assume power-law Γ dependences of those spectral characteristics and find that, unlike power-law outflows, n-exponential outflows cannot account for plateaus with a temporal dynamical range larger than 100 (2 dex in logarithmic space). To capture all the information contained in XRT afterglow measurements (0.3–10 keV unabsorbed flux and effective spectral slope), we calculate 0.3 and 10 keV light curves using a broken-power-law emission spectrum of peak energy and low- and high-energy slopes that are derived from the effective slope measured by XRT. This economical peak energy determination is found to be consistent with the results of more expensive spectral fits. The angular distributions of the Lorentz factor, comoving frame peak energy, and peak intensity (Γ(θ), $E'_p$(θ), $i'_p$(θ)) constrain the (yet-to-be determined) convolution of various features of the production of relativistic jets by solar-mass black holes and of their propagation through the progenitor/circumburst medium, while the $E'_p$(Γ) and $i'_p$(Γ) dependences may constrain the GRB dissipation mechanism and the GRB emission process.

79 ASTRONOMY AND ASTROPHYSICS↗

An improved representation of the relationship between photosynthesis and stomatal conductance leads to more stable estimation of conductance parameters and improves the goodness-of-fit across diverse data sets

Stomata play a central role in surface-atmosphere exchange by controlling the flux of water and CO 2 between the leaf and the atmosphere. Representation of stomatal conductance (g sw ) is therefore an essential component of models that seek to simulate water and CO 2 exchange in plants and ecosystems. For given environmental conditions at the leaf surface (CO 2 concentration and vapor pressure deficit or relative humidity), models typically assume a linear relationship between g sw and photosynthetic CO 2 assimilation (A). However, measurement of leaf-level g sw response curves to changes in A are rare, particularly in the tropics, resulting in only limited data to evaluate this key assumption. Here, we measured the response of g sw and A to irradiance in six tropical species at different leaf phenological stages. We showed that the relationship between g sw and A was not linear, challenging the key assumption upon which optimality theory is based-that the marginal cost of water gain is constant. Our data showed that increasing A resulted in a small increase in g sw at low irradiance, but a much larger increase at high irradiance. We reformulated the popular Unified Stomatal Optimization (USO) model to account for this phenomenon and to enable consistent estimation of the key conductance parameters g 0 and g 1 . Our modification of the USO model improved the goodness-of-fit and reduced bias, enabling robust estimation of conductance parameters at any irradiance. In addition, our modification revealed previously undetectable relationships between the stomatal slope parameter g 1 and other leaf traits. We also observed nonlinear behavior between A and g sw in independent datasets that included data collected from attached and detached leaves, and from plants grown at elevated CO 2 concentration. We propose that this empirical modification of the USO model can improve the measurement of g sw parameters and the estimation of plant and ecosystem-scale water and CO 2 fluxes.

54 ENVIRONMENTAL SCIENCES↗

Modeling the effect of wind speed and direction shear on utility‐scale wind turbine power production

Abstract Wind speed and direction variations across the rotor affect power production. As utility‐scale turbines extend higher into the atmospheric boundary layer (ABL) with larger rotor diameters and hub heights, they increasingly encounter more complex wind speed and direction variations. We assess three models for power production that account for wind speed and direction shear. Two are based on actuator disc representations, and the third is a blade element representation. We also evaluate the predictions from a standard power curve model that has no knowledge of wind shear. The predictions from each model, driven by wind profile measurements from a profiling LiDAR, are compared to concurrent power measurements from an adjacent utility‐scale wind turbine. In the field measurements of the utility‐scale turbine, discrete combinations of speed and direction shear induce changes in power production of −19% to +34% relative to the turbine power curve for a given hub height wind speed. Positive speed shear generally corresponds to over‐performance and increasing magnitudes of direction shear to greater under‐performance, relative to the power curve. Overall, the blade element model produces both higher correlation and lower error relative to the other models, but its quantitative accuracy depends on induction and controller sub‐models. To further assess the influence of complex, non‐monotonic wind profiles, we also drive the models with best‐fit power law wind speed profiles and linear wind direction profiles. These idealized inputs produce qualitative and quantitative differences in power predictions from each model, demonstrating that time‐varying, non‐monotonic wind shear affects wind power production.

Energy & Fuels↗

Optimal Frequency-domain Analysis for Spacecraft Time Series: Introducing the Missing-data Multitaper Power Spectrum Estimator

While the Lomb–Scargle periodogram is foundational to astronomy, it has a significant shortcoming: the variance in the estimated power spectrum does not decrease as more data are acquired. Statisticians have a 60 yr history of developing variance-suppressing power spectrum estimators, but most are not used in astronomy because they are formulated for time series with uniform observing cadence and without seasonal or daily gaps. Here we demonstrate how to apply the missing-data multitaper power spectrum estimator to spacecraft data with uniform time intervals between observations but missing data during thruster fires or momentum dumps. The F-test for harmonic components may be applied to multitaper power spectrum estimates to identify statistically significant oscillations that would not rise above a white noise–based false alarm probability. Multitapering improves the dynamic range of the power spectrum estimate and suppresses spectral window artifacts. We show that the multitaper–F-test combination applied to Kepler observations of KIC 6102338 detects differential rotation without requiring iterative sinusoid fitting and subtraction. Significant signals reside at harmonics of both fundamental rotation frequencies and suggest an antisolar rotation profile. Next we use the missing-data multitaper power spectrum estimator to identify the oscillation modes responsible for the complex "scallop-shell" shape of the K2 light curve of EPIC 203354381. We argue that multitaper power spectrum estimators should be used for all time series with regular observing cadence.

79 ASTRONOMY AND ASTROPHYSICS↗

Collective effect of thermal plumes on temperature fluctuations in a closed Rayleigh–Benard convection cell

Here, we report a systematic study of the collective effect of thermal plumes on the probability density function (PDF) P(δT) of temperature fluctuations δT(t) in turbulent Rayleigh-Benard convection. By decomposing δT(t) into four basic fluctuation modes associated with single and multiple warm and cold plumes and a turbulent background, we derive an analytic form of P(δT) based on the convolutions of the five independent modes. To test the derived form of P(δT) in the multiple-plume regions, where the thermal plumes are heavily populated, we conduct time series measurements of temperature fluctuations in two convection cells; one is a vertical thin disk and the other is an upright cylinder of aspect ratio unity. For a given normalized position in most regions of the convection cell, all of the measured PDFs P(δT) for different Rayleigh numbers fall onto a single master curve, once δT is normalized by its rms value σ T . It is found that the measured P(δT / σT ) at different locations along the symmetric horizontal and vertical axes of the convection cells can all be well described by the derived form of P(δT / σT ). The fitted values of the parameters associated with the number of plumes in multiple plume clusters and their relative strengths and degrees of intermittency are closely linked to the spatial distribution of thermal plumes and local dynamics of the large-scale circulation in a closed convection cell. Our work thus provides a unified theoretical approach for understanding scalar PDFs in a turbulent field, which is very useful not only for the present study but also for the study of many turbulent mixing problems of practical interest.

42 ENGINEERING↗

OzDES Reverberation Mapping Programme: Mg ii lags and R − L relation

ABSTRACT The correlation between the broad line region radius and continuum luminosity (R–L relation) of active galactic nuclei (AGNs) is critical for single-epoch mass estimates of supermassive black holes (SMBHs). At z ∼ 1–2, where AGN activity peaks, the R–L relation is constrained by the reverberation mapping (RM) lags of the Mg ii line. We present 25 Mg ii lags from the Australian Dark Energy Survey RM project based on 6 yr of monitoring. We define quantitative criteria to select good lag measurements and verify their reliability with simulations based on both the damped random walk stochastic model and the rescaled, resampled versions of the observed light curves of local, well-measured AGN. Our sample significantly increases the number of Mg ii lags and extends the R–L relation to higher redshifts and luminosities. The relative iron line strength $\mathcal {R}_{\rm Fe}$ has little impact on the R–L relation. The best-fitting Mg iiR–L relation has a slope α = 0.39 ± 0.08 with an intrinsic scatter $\sigma _{\rm rl} = 0.15^{+0.03}_{-0.02}$ . The slope is consistent with previous measurements and shallower than the H β R–L relation. The intrinsic scatter of the new R–L relation is substantially smaller than previous studies and comparable to the intrinsic scatter of the H β R–L relation. Our new R–L relation will enable more precise single-epoch mass estimates and SMBH demographic studies at cosmic noon.

79 ASTRONOMY AND ASTROPHYSICS↗

NETL Electrical Conductivity Relaxation(ECR) Analysis Tool

This application was developed within the solid oxide fuel cell (SOFC) work plan. It calculates the oxygen surface exchange coefficient (k) and oxygen diffusion coefficient (D) for an oxide sample using electrical conductivity relaxation (ECR) data. The tool also produces a heat map showing the associated uncertainty in fitting the ECR data for given pairs of k and D values, so the user can determine the most likely range of k and D values for the tested values. Multiple datasets for the same material can be plotted to decrease uncertainty. The tool can also simulate ECR curves for inputted k and D values and overlay the simulated curves with experimental data for comparison.

electrical conductivity relaxation↗