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At least 73 records · Page 4

Noise and error analysis and optimization in particle-based kinetic plasma simulations

In this paper we analyze the noise in macro-particle methods used in plasma physics and fluid dynamics, leading to approaches for minimizing the total error, focusing on electrostatic models in one dimension. We begin by describing kernel density estimation for continuous values of the spatial variable x, expressing the kernel in a form in which its shape and width are represented separately. The covariance matrix of the noise in the density is computed, first for uniform true density. The bandwidth of the covariance matrix C(x,y) is related to the width of the kernel. A feature that stands out is the presence of constant negative terms in the elements of the covariance matrix both on and off-diagonal. These negative correlations are related to the fact that the total number of particles is fixed at each time step; they also lead to the property ∫C(x,y)dy = 0. We investigate the effect of these negative correlations on the electric field computed by Gauss's law, finding that the noise in the electric field is related to a process called the Ornstein-Uhlenbeck bridge, leading to a covariance matrix of the electric field with variance significantly reduced relative to that of a Brownian process. For non-constant density, p(x), still with continuous x, we analyze the total error in the density estimation and discuss it in terms of bias-variance optimization (BVO). For some characteristic length l, determined by the density and its second derivative, and kernel width h, having too few particles within h leads to too much variance; for h that is large relative to l, there is too much smoothing of the density. The optimum between these two limits is found by BVO. For kernels of the same width, it is shown that this optimum (minimum) is weakly sensitive to the kernel shape. Next, we repeat the analysis for x discretized on a grid. In this case the charge deposition rule is determined by a particle shape. An important property to be respected in the discrete system is the exact preservation of total charge on the grid; this property is necessary to ensure that the electric field is equal at both ends, consistent with periodic boundary conditions. We find that if the particle shapes satisfy a partition of unity property, the particle charge deposited on the grid is conserved exactly. Further, if the particle shape is expressed as the convolution of a kernel with another kernel that satisfies the partition of unity, then the particle shape obeys the partition of unity. This property holds for kernels of arbitrary width, including widths that are not integer multiples of the grid spacing. Furthermore, we show results relaxing the approximations used to do BVO optimization analytically, by doing numerical computations of the total error as a function of the kernel width, on a grid in x. The comparison between numerical and analytical results shows good agreement over a range of particle shapes. We discuss the practical implications of our results, including the criteria for design and implementation of computationally efficient particle shapes that take advantage of the developed theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Centrality dependence of J /ψ and ψ (2S) production and nuclear modification in p-Pb collisions at \( \sqrt{s_{\mathrm{NN}}} \) = 8 . 16 TeV

The inclusive production of the J/ ψ and ψ (2S) charmonium states is studied as a function of centrality in p-Pb collisions at a centre-of-mass energy per nucleon pair \( \sqrt{s_{\mathrm{NN}}} \) = 8 . 16 TeV at the LHC. The measurement is performed in the dimuon decay channel with the ALICE apparatus in the centre-of-mass rapidity intervals – 4 . 46 < y cms < – 2 . 96 (Pb-going direction) and 2 . 03 < y cms < 3 . 53 (p-going direction), down to zero transverse momentum ( p T ). The J/ ψ and ψ (2S) production cross sections are evaluated as a function of the collision centrality, estimated through the energy deposited in the zero degree calorimeter located in the Pb-going direction. The p T -differential J/ ψ production cross section is measured at backward and forward rapidity for several centrality classes, together with the corresponding average \( \left\langle {p}_{\mathrm{T}}\right\rangle \) and \( \left\langle {p}_{\mathrm{T}}^2\right\rangle \) values. The nuclear effects affecting the production of both charmonium states are studied using the nuclear modification factor. In the p-going direction, a suppression of the production of both charmonium states is observed, which seems to increase from peripheral to central collisions. In the Pb-going direction, however, the centrality dependence is different for the two states: the nuclear modification factor of the J/ ψ increases from below unity in peripheral collisions to above unity in central collisions, while for the ψ (2S) it stays below or consistent with unity for all centralities with no significant centrality dependence. The results are compared with measurements in p-Pb collisions at \( \sqrt{s_{\mathrm{NN}}} \) = 5 . 02 TeV and no significant dependence on the energy of the collision is observed. Finally, the results are compared with theoretical models implementing various nuclear matter effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Azeotropic isotopologues

Isotopologues are molecular species differing only in their stable isotope composition. For example, the isotopologues of water include HOH , DOD , and HOD . The possibility of reactive azeotropy among isotopologues of the same molecule is explored within the ideal gas/ideal solution assumption. The chemical equilibrium enabling azeotropy may involve isotope exchange reactions or may involve more complicated dissociation/solvation chemistry. Azeotropy among isotopologues appears possible in the presence of isotope exchange reactions and with simple dissociation or combination reactions. However, for such chemical reactions, the isotope fractionation factors must be unity, that is, isotope ratios are identical in the vapor and liquid phases. This is not consistent with experimental observations that isotope fractionation factors can differ from unity at an azeotrope. More complex solvation chemistry, wherein the isotopic composition in the solvation shell differs slightly from that of the bulk solvent, can lead to an azeotrope for which the isotope fractionation factor is not unity. Possible azeotropy among the isotopologues of water is then considered. Experiments to directly quantify water isotopologue compositions at the elevated temperatures and pressures anticipated for azeotropy are described. Furthermore the paper concludes with a discussion of the potential impact of azotropic isotopologues on the azeotropic extraction and isotopic analysis of soil water and on the interpretation of isotopic signatures in geological and cosmological samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of Photocatalyst Excited- and Ground-State Reduction Potentials for Dye-Sensitized HBr Splitting

Dye-sensitized bromide oxidation was investigated using a series of four ruthenium polypyridyl photocatalysts anchored to SnO 2 /TiO 2 core/shell mesoporous thin films through 2,2'-bipyridine-4,4'-diphosphonic acid anchoring groups. The ground- and excited-state reduction potentials were tuned over 500 mV by the introduction of electron withdrawing groups in the 4 and 4' positions of the ancillary bipyridine ligands. Upon light excitation of the surface-bound photocatalysts, excited-state electron injection yielded an oxidized photocatalyst that was regenerated through bromide oxidation. High injection quantum yields (Φ inj ) and regeneration quantum yields (Φ reg ) were essential to obtain efficient bromide oxidation yet required a photocatalyst that is both a potent photoreductant and a strong oxidant after excited-state injection. The four photocatalysts utilized in this manuscript ranged from unity Φ inj (1.0) and minimal Φ reg (0.037) to minimal Φ inj (0.09) and unity Φ reg (1.0). The photocatalyst that displayed the highest overall dye-sensitized photoelectrosynthesis cell performances exhibited near unity Φ reg (0.99), while a significant Φ inj was still preserved (0.59). Finally, these results highlighted the delicate interplay between the ground- and excited-state reduction potentials of photocatalysts for dye-sensitized hydrobromic acid splitting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An unsupervised machine learning based approach to identify efficient spin-orbit torque materials

Materials with large spin–orbit torque (SOT) hold considerable significance for many spintronic applications because of their potential for energy-efficient magnetization switching. Unfortunately, most of the existing materials exhibit an SOT efficiency factor that is much less than unity, requiring a large current for magnetization switching. The search for new materials that can exhibit an SOT efficiency much greater than unity is a topic of active research, and only a few such materials have been identified using conventional approaches. In this paper, we present a machine learning-based approach using a word embedding model that can identify new results by deciphering non-trivial correlations among various items in a specialized scientific text corpus. We show that such a model can be used to identify materials likely to exhibit high SOT and rank them according to their expected SOT strengths. The model captured the essential spintronics knowledge embedded in scientific abstracts within various materials science, physics, and engineering journals and identified 97 new materials to exhibit high SOT. Among them, 16 candidate materials are expected to exhibit an SOT efficiency greater than unity, and one of them has recently been confirmed with experiments with quantitative agreement with the model prediction.

Sayed, Shehrin↗

Intercomparison of sensible and latent heat flux measurements from combined eddy covariance, energy balance, and Bowen ratio methods above a grassland prairie

We present a comparison of four different methods of measuring sensible (H) and latent (LE) heat fluxes for a year over a mixed grass prairie ecosystem in the Nebraska SandHills [eddy covariance (EC), energy balance/Bowen ratio (EBBR), residual energy (RES), modified Bowen ratio (MBR) methods]. Additionally, we developed a set of quality control criteria for each method and present a simplification to the traditional EBBR setup. Using EC as reference, all methods yielded similar estimates of yearly H (regression slopes (m) ~ 2% from unity; H EC > H EBBR , H RES , and H MBR ). For yearly LE, EBBR and RES yielded similar estimates with EC (m ~ 2% from unity; LE EC < LE EBBR and LE RES ), while a larger bias was found from MBR (m ~ 8% from unity; LE EC > LE MBR ). At shorter time scales (~ hourly), moderate scatter was found about linear regression fits for H between EBBR and EC (R 2 = 0.81), with smaller scatter between RES and MBR, and EC (R 2 = 0.91). For LE, smaller scatter was also measured between EC, and EBBR and RES (R 2 = 0.89 and 0.87, respectively), with the larger scatter between EC and MBR (R 2 = 0.65). This suggests methods other than EC may be well suited to longer-term applications (≥ yearly), but have larger uncertainty on individual measurements.

54 ENVIRONMENTAL SCIENCES↗

Deciphering yield modification of hadron-triggered semi-inclusive recoil jets in heavy-ion collisions

Jet quenching is recognized as critical evidence for the existence of the quark-gluon plasma (QGP) and serves as an essential probe to study its transport properties. Measurements of hadron-triggered semi-inclusive recoil jets have gained popularity due to its capability to probe jets over an extended phase space at low transverse momenta (p T ) and large radii. Recent ALICE measurements showed that the I AA , yield ratio of recoil jets between heavy-ion and p+p collisions, rises with jet p T and exceeds unity at high p T , contradicting conventional expectations that jet quenching should result in I AA values less than one. In this contribution, we re-examine the surface bias and study the effects of energy losses for both trigger hadrons and recoil jets on I AA , employing the Linear Boltzmann Transport (LBT) model to simulate jet-medium interactions. Our findings suggest that a large portion of hadrons used for the triggers undergoes substantial energy loss, despite surface bias. In particular, the energy loss of the trigger hadrons elevates the I AA baseline, corresponding to the case of no energy loss for recoil jets, to be greatly larger than unity. This enhancement of the baseline implies that the measured I AA values being larger than unity could still signal jet quenching.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Flexible Thermoelectric Devices of Ultrahigh Power Factor by Scalable Printing and Interface Engineering

Printing is a versatile method to transform semiconducting nanoparticle inks into functional and flexible devices. In particular, thermoelectric nanoparticles are attractive building blocks to fabricate flexible devices for energy harvesting and cooling applications. However, the performance of printed devices are plagued by poor interfacial connections between nanoparticles and resulting low carrier mobility. While many rigid bulk materials have shown a thermoelectric figure of merit ZT greater than unity, it is an exacting challenge to develop flexible materials with ZT near unity. Here, a scalable screen-printing method to fabricate high-performance and flexible thermoelectric devices is reported. A tellurium-based nanosolder approach is employed to bridge the interfaces between the BiSbTe particles during the postprinting sintering process. The printed BiSbTe flexible films demonstrate an ultrahigh room-temperature power factor of 3 mW m -1 K -2 and ZT about 1, significantly higher than the best reported values for flexible films. A fully printed thermoelectric generator produces a high power density of 18.8 mW cm -2 achievable with a small temperature gradient of 80 °C. This screen-printing method, which directly transforms thermoelectric nanoparticles into high-performance and flexible devices, presents a significant leap to make thermoelectrics a commercially viable technology for a broad range of energy harvesting and cooling applications.

36 MATERIALS SCIENCE↗

Bottom quark energy loss and hadronization with B + and ${\textrm{B}}_{\textrm{s}}^0$ nuclear modification factors using pp and PbPb collisions at $\sqrt{s_{\textrm{NN}}}$ = 5.02 TeV

The production cross sections of $ {\textrm{B}}_{\textrm{s}}^0 $ and B$^{+}$ mesons are reported in proton-proton (pp) collisions recorded by the CMS experiment at the CERN LHC with a center-of-mass energy of 5.02 TeV. The data sample corresponds to an integrated luminosity of 302 pb$^{−1}$. The cross sections are based on measurements of the $ {\textrm{B}}_{\textrm{s}}^0 $→ J/ψ(μ$^{+}$μ$^{−}$)ϕ(1020)(K$^{+}$K$^{−}$) and B$^{+}$→ J/ψ(μ$^{+}$μ$^{−}$)K$^{+}$ decay channels. Results are presented in the transverse momentum (p$_{T}$) range 7–50 GeV/c and the rapidity interval |y| < 2.4 for the B mesons. The measured p$_{T}$-differential cross sections of B$^{+}$ and $ {\textrm{B}}_{\textrm{s}}^0 $ in pp collisions are well described by fixed-order plus next-to-leading logarithm perturbative quantum chromodynamics calculations. Using previous PbPb collision measurements at the same nucleon-nucleon center-of-mass energy, the nuclear modification factors, R$_{AA}$, of the B mesons are determined. For p$_{T}$> 10 GeV/c, both mesons are found to be suppressed in PbPb collisions (with R$_{AA}$ values significantly below unity), with less suppression observed for the $ {\textrm{B}}_{\textrm{s}}^0 $ mesons. In this p$_{T}$ range, the R$_{AA}$ values for the B$^{+}$ mesons are consistent with those for inclusive charged hadrons and D$^{0}$ mesons. Below 10 GeV/c, both B$^{+}$ and $ {\textrm{B}}_{\textrm{s}}^0 $ are found to be less suppressed than either inclusive charged hadrons or D$^{0}$ mesons, with the $ {\textrm{B}}_{\textrm{s}}^0 $R$_{AA}$ value consistent with unity. The R$_{AA}$ values found for the B$^{+}$ and $ {\textrm{B}}_{\textrm{s}}^0 $ are compared to theoretical calculations, providing constraints on the mechanism of bottom quark energy loss and hadronization in the quark-gluon plasma, the hot and dense matter created in ultrarelativistic heavy ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurements of b -jet tagging efficiency with the ATLAS detector using $t\overline{t}$ events at $\sqrt{s}=13$ TeV

The efficiency to identify jets containing b-hadrons (b-jets) is measured using a high purity sample of dileptonic top quark-antiquark pairs ($t\bar{t}$) selected from the 36.1 fb -1 of data collected by the ATLAS detector in 2015 and 2016 from proton-proton collisions produced by the Large Hadron Collider at a centre-of-mass energy $\sqrt{s}=13$ TeV. Two methods are used to extract the efficiency from $t\bar{t}$ events, a combinatorial likelihood approach and a tag-and-probe method. A boosted decision tree, not using b-tagging information, is used to select events in which two b-jets are present, which reduces the dominant uncertainty in the modelling of the flavour of the jets. The efficiency is extracted for jets in a transverse momentum range from 20 to 300 GeV, with data-to-simulation scale factors calculated by comparing the efficiency measured using collision data to that predicted by the simulation. In conclusion, the two methods give compatible results, and achieve a similar level of precision, measuring data-to-simulation scale factors close to unity with uncertainties ranging from 2% to 12% depending on the jet transverse momentum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurement of beauty production via non-prompt charm hadrons in p–Pb collisions at $\sqrt{s_{\textrm{NN}}}$ = 5.02 TeV

The production cross sections of D 0 , D + , and Λ$^{+}_{c}$ hadrons originating from beauty-hadron decays (i.e. non-prompt) were measured for the first time at midrapidity in proton–lead (p–Pb) collisions at the center-of-mass energy per nucleon pair of $\sqrt{s_{\textrm{NN}}}$ = 5.02 TeV. Nuclear modification factors (R pPb ) of non-prompt D 0 , D + , and Λ$^{+}_{c}$ are calculated as a function of the transverse momentum (p T ) to investigate the modification of the momentum spectra measured in p–Pb collisions with respect to those measured in proton–proton (pp) collisions at the same energy. The R pPb measurements are compatible with unity and with the measurements in the prompt charm sector, and do not show a significant p T dependence. The p T -integrated cross sections and p T -integrated R pPb of non-prompt D 0 and D + mesons are also computed by extrapolating the visible cross sections down to p T = 0. The non-prompt D-meson R pPb integrated over p T is compatible with unity and with model calculations implementing modification of the parton distribution functions of nucleons bound in nuclei with respect to free nucleons. The non-prompt Λ$^{+}_{c}$/D 0 and D + /D 0 production ratios are computed to investigate hadronisation mechanisms of beauty quarks into mesons and baryons. The measured ratios as a function of p T display a similar trend to that measured for charm hadrons in the same collision system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Commuting Line Defects At $q^N$ = 1

Here, we explain the physical origin of a curious property of algebras $\mathcal{A}_{\mathfrak{q}}$ which encode the rotation-equivariant fusion ring of half-BPS line defects in four-dimensional $\mathcal{N}$ = 2 supersymmetric quantum field theories. These algebras are a quantization of the algebras of holomorphic functions on the three-dimensional Coulomb branch of the SQFTs, with deformation parameter log $\mathfrak{q}$. They are known to acquire a large center, canonically isomorphic to the undeformed algebra, whenever $\mathfrak{q}$ is a root of unity. We give a physical explanation of this fact. We also generalize the construction to characterize the action of this center in the $\mathcal{A}_{\mathfrak{q}}$-modules associated to three-dimensional $\mathcal{N}$ = 2 boundary conditions. Finally, we use dualities to relate this construction to a construction in the Kapustin–Witten twist of four-dimensional $\mathcal{N}$ = 4 gauge theory. These considerations give simple physical explanations of certain properties of quantized skein algebras and cluster varieties, and quantum groups, when the deformation parameter is a root of unity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Silica-modifying chemical admixtures for directed zeolitization of metakaolin-based alkali-activated materials

The effect of using trimethyladamantyl-ammonium hydroxide (TMAAOH) as a silica-modifying admixture to induce early-age mineralization during alkali-activation of metakaolin was investigated and reported herein. In all material formulations, the use of TMAAOH induced early-age mineralization, increased mixture stiffening in the fresh state, and lowered total heat of reaction. In activating solutions with silica moduli above unity (Ms >1.0), mineralogy results demonstrate that TMAAOH induces the nucleation and growth of metastable zeolitic phases, which correlated with increased permeability and increased plastic shrinkage of the paste. When TMAAOH was added to activating solutions with silica moduli near unity (Ms ~1.0), the controlled formation of crystalline, silica-rich faujasite was observed, which correlated with reduced permeability and lower plastic shrinkage. Together, these results demonstrate for the first time that silica-templating agents such as TMAAOH can be exploited in the design of new chemical admixtures that directly influence the dynamics of zeolitization in alkali-activated materials.

36 MATERIALS SCIENCE↗

Characterization of local parameters of inclined upward air–water bubbly two-phase flows in a round pipe

The present work seeks to develop a detailed experimental database and characterize the local effects of inclination on horizontal and upward bubbly air–water two-phase flows. Experimental conditions are selected to investigate bubbly flows at a variety of orientations while reducing the influence of flow regime transition. Detailed time-averaged data is collected using state-of-the-art four-sensor conductivity probes for measurements across the flow area for five flow conditions at five inclination orientations in a 25.4 mm inner diameter pipe. Using the newly established database, effects of inclination on bubbly flows are analyzed, as are changes in liquid and gas flow rate at different orientations. The observations include (1) bubble migration and agglomeration at the top pipe wall as orientation changes from vertical to horizontal; (2) reducing the angle from vertical reduces the local gas velocity, and correspondingly reduces the global slip from greater than unity at 90° to less than unity for 60° and lower; (3) changes in the bubble size distribution are primarily at the interface between the bubble cluster and the liquid region of the pipe, not coalescence within the bubble cluster. In conclusion, physical mechanisms for these observations are proposed, and the present trends at different orientations support previous experiments in horizontal two-phase flows.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Multiplicity dependence of ϒ production at forward rapidity in pp collisions at $\sqrt{s}$ = 13 TeV

The measurement of ϒ(1S), ϒ(2S), and ϒ(3S) yields as a function of the charged-particle multiplicity density, d N ch /d η , using the ALICE experiment at the LHC, is reported in pp collisions at √s = 13 TeV. The Υ meson yields are measured at forward rapidity (2.5 < y < 4) in the dimuon decay channel, whereas the charged-particle multiplicity is defined at central rapidity (| η | <1). Both quantities are divided by their average value in minimum bias events to compute the self-normalized quantities. The increase of the self-normalized ϒ(1S), ϒ(2S), and ϒ(3S) yields is found to be compatible with a linear scaling with the self-normalized d N ch /d η , within the uncertainties. The self-normalized yield ratios of excited-to-ground ϒ states are compatible with unity within uncertainties. Similarly, the measured double ratio of the self-normalized ϒ(1S) to the self-normalized J/ ψ yields, both measured at forward rapidity, is compatible with unity for self-normalized charged-particle multiplicities beyond one. The measurements are compared with theoretical predictions incorporating initial or final state effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nuclear modification factor of light neutral-meson spectra up to high transverse momentum in p–Pb collisions at s NN = 8.16 TeV

Neutral pion (π 0 ) and η meson production cross sections were measured up to unprecedentedly high transverse momenta (p T ) in p–Pb collisions at √ s NN = 8.16 TeV. The mesons were reconstructed via their two-photon decay channel in the rapidity interval –1.3 < y < 0.3 in the ranges of 0.4 < p T < 200 GeV/c and 1.0 < p T < 50 GeV/c, respectively. The respective nuclear modification factor (R pPb ) is presented for p T up to of 200 and 30 GeV/c, where the former was achieved by extending the π 0 measurement in pp collisions at √s = 8 TeV using the merged cluster technique. The values of R pPb are below unity for p T < 10 GeV/c, while they are consistent with unity for p T > 10 GeV/c, leaving essentially no room for final state energy loss. The new data provide strong constraints for nuclear parton distribution and fragmentation functions over a broad kinematic range and are compared to model predictions as well as previous results at √ s NN = 5.02 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Reference Natural Gas Flames at Nominally Autoignitive Engine-Relevant Conditions

Laminar natural gas flames are investigated at engine-relevant thermochemical conditions where the ignition delay time r is short due to very high ambient temperatures and pressures. At these conditions, it is not possible to measure or calculate well-defined values for the laminar flame speed S-l, laminar flame thickness delta(l), and laminar flame time scale tau(l) = delta(l)/S-l due to the explosive thermochemical state. Here, the corresponding reference values, S-R, delta(R), and tau(R) = S-R/S-R, that account for the effects of autoignition, are numerically estimated to investigate the enhancement of flame propagation, and the competition with autoignition that arises under nominally autoignitive conditions (characterised here by the number tau/tau(R)). Large values of tau/tau(R) indicate that autoignition is unimportant, values near or below unity indicate that flame propagation is not possible, and intermediate values indicate that a combination of both flame propagation and autoignition may be important, depending upon factors such as device geometry, turbulence, stratification, et cetera. The reference quantities are presented for a wide range of temperatures, equivalence ratios, pressures, and hydrogen concentrations, which includes conditions relevant to stationary gas turbine reheat burners and boosted spark ignition engines. It is demonstrated that the transition from flame propagation to autoignition is only dependent on residence time, when the results are non-dimensionalised by the reference values. The temporal evolution of the reference values are also reported for a modelled boosted SI engine. It is shown that the nominally autoignitive conditions enhance flame propagation, which may be an ameliorating factor for the onset of engine knock. The calculations are performed using a recently-developed, detailed 177 species mechanism for C0-C3 chemistry that is derived from theoretical chemistry and is suitable for a wide range of thermochemical conditions as it is not tuned or optimised for a particular operating condition. (C) 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

autoignition↗