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At least 937 records · Page 52

Anderson Acceleration for Distributed Training of Deep Learning Models

Anderson acceleration (AA) is an extrapolation technique that has recently gained interest in the deep learning (DL) community to speed-up the sequential training of DL models. However, when performed at large scale, the DL training is exposed to a higher risk of getting trapped into steep local minima of the training loss function, and standard AA does not provide sufficient acceleration to escape from these steep local minima. This results in poor generalizability and makes AA ineffective. To restore AA’s advantage to speed-up the training of DL models on large scale computing platforms, we combine AA with an adaptive moving average procedure that boosts the training to escape from steep local minima. By monitoring the relative standard deviation between consecutive iterations, we also introduce a criterion to automatically assess whether the moving average is needed. We applied the method to the following DL instantiations for image classification: (i) ResNet50 trained on the open-source CIFAR100 dataset and (ii) ResNet50 trained on the open-source ImageNet1k dataset. Numerical results obtained using up to 1,536 NVIDIA V100 GPUs on the OLCF supercomputer Summit showed the stabilizing effect of the moving average on AA for all the problems above.

Lupo Pasini, Massimiliano↗

Viscous nongeostrophic baroclinic instability

Calculations have been performed of the (linear) stability of a baroclinic flow to three-dimensional perturbations. Both the simple Eady basic state and the rotating Hadley cell of Antar and Fowlis are considered. The independent influences of the Richardson (Ri), thermal Rossby (baroclinicity), Ekman, and Prandtl numbers are examined, as well as the influences of the angle of orientation of the horizontal wave vector and the wavelength. It is shown that if the wavelength is allowed to vary freely, disturbances of the Eady type are preferred (i.e., have greatest growth rate) unless Ri and Ekman numbers are small enough and the thermal Rossby number is large enough. In the latter case, disturbances whose angles of orientation are almost symmetric and whose wavelengths are mesoscale are preferred. If, on the other hand, the wavelength is fixed at a mesoscale size, only the symmetric and almost symmetric modes have growth. By allowing the wave vector orientation to deviate from purely symmetric, it is noted that the region of instability (i.e., critical Ri) is increased, the extent of which is greater for longer wavelength. For Prandtl number = 1, permitting the angle to be nonsymmetric demonstrates the existence of two maxima in growth rate at opposite angles of orientation and with very different energetics. For Prandtl number far enough from one and for large enough dissipation, only one of these two modes has positive growth rates. Growing oscillatory modes were found for some cases.

Miller, T. L.↗

Search for Leptoquarks Coupled to Third-Generation Quarks in Proton-Proton Collisions at s = 13 TeV

Three of the most significant measured deviations from standard model predictions, the enhanced decay rate for B $\to$ D$^{(*)}\tau\nu$, hints of lepton universality violation in B $\to$ K$^{(*)}\ell\ell$ decays, and the anomalous magnetic moment of the muon, can be explained by the existence of leptoquarks (LQs) with large couplings to third-generation quarks and masses at the TeV scale. The existence of these states can be probed at the LHC in high energy proton-proton collisions. A novel search is presented for pair production of LQs coupled to a top quark and a muon using data at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 35.9 fb$^{-1}$, recorded by the CMS experiment. No deviation from the standard model prediction has been observed and scalar LQs decaying exclusively into t$\mu$ are excluded up to masses of 1420 GeV. The results of this search are combined with those from previous searches for LQ decays into t$\tau$ and b$\nu$, which excluded scalar LQs below masses of 900 and 1080 GeV. Vector LQs are excluded up to masses of 1190 GeV for all possible combinations of branching fractions to t$\mu$, t$\tau$ and b$\nu$. With this analysis, all relevant couplings of LQs with an electric charge of -1/3 to third-generation quarks are probed for the first time.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Development and Test of a 1,000 Level 3C Fiber Optic Borehole Seismic Receiver Array Applied to Carbon Sequestration

To address the critical site characterization and monitoring needs for CCS programs, US Department of Energy (DOE) awarded Paulsson, Inc. in 2010 a contract to design, build and test a fiber optic based ultra-large bandwidth clamped borehole seismic vector array capable of deploying up to one thousand 3C sensor pods suitable for deployment into high temperature and high pressure boreholes. Paulsson, Inc. has completed a design or a unique borehole seismic system consisting of a novel drill pipe based deployment system that includes a hydraulic clamping mechanism for the sensor pods, a new sensor pod design and most important – a unique fiber optic seismic vector sensor with technical specifications and capabilities that far exceed the state of the art seismic sensor technologies. These novel technologies were all applied to the new borehole seismic system. In combination these technologies will allow for the deployment of up to 1,000 3C sensor pods in vertical, deviated or horizontal wells. Laboratory tests of the fiber optic seismic vector sensors developed during this project have shown that the new borehole seismic sensor technology is capable of generating outstanding high vector fidelity data with extremely large bandwidth: 0.01 – 6,000 Hz. Field tests have shown that the system can record events at magnitudes much smaller than M-2.3 at frequencies up to 2,000 Hz. The sensors have also proved to be about 100 times more sensitive than the regular coil geophones that are used in borehole seismic systems today. The fiber optic seismic sensors have furthermore been qualified to operate at temperatures over 300°C (572°F). The fibers used for the seismic sensors in the system are used to record Distributed Temperature Sensor (DTS) data allowing additional value added data to be recorded simultaneously with the seismic vector sensor data.

01 COAL, LIGNITE, AND PEAT↗

Implicit Large-Eddy Simulations of Zero-Pressure Gradient, Turbulent Boundary Layer

A set of direct simulations of zero-pressure gradient, turbulent boundary layer flows are conducted using various span widths (62-630 wall units), to document their influence on the generated turbulence. The FDL3DI code that solves compressible Navier-Stokes equations using high-order compact-difference scheme and filter, with the standard recycling/rescaling method of turbulence generation, is used. Results are analyzed at two different Re values (500 and 1,400), and compared with spectral DNS data. They show that a minimum span width is required for the mere initiation of numerical turbulence. Narrower domains ((is) less than 100 w.u.) result in relaminarization. Wider spans ((is) greater than 600 w.u.) are required for the turbulent statistics to match reference DNS. The upper-wall boundary condition for this setup spawns marginal deviations in the mean velocity and Reynolds stress profiles, particularly in the buffer region.

Turblent boundary layer↗

Deviations from Vegard's law and evolution of the electrocatalytic activity and stability of Pt-based nanoalloys inside fuel cells by in operando X-ray spectroscopy and total scattering

Catalysts for energy related applications, in particular metallic nanoalloys, readily undergo atomic-level changes during electrochemical reactions. The origin, dynamics and implications of the changes for the catalysts’ activity inside fuel cells though are not well understood. This is largely because they are studied on model nanoalloy structures under controlled laboratory conditions. Here we use combined synchrotron X-ray spectroscopy and total scattering to study the dynamic behaviour of nanoalloys of Pt with 3d-transition metals as they function at the cathode of an operating proton exchange membrane fuel cell. Results show that the composition and atomic structure of the nanoalloys change profoundly, from the initial state to the active form and further along the cell operation. The electrocatalytic activity of the nanoalloys also changes. The rate and magnitude of the changes may be rationalized when the limits of traditional relationships used to connect the composition and structure of nanoalloys with their electrocatalytic activity and stability, such as Vegard's law, are recognized. In particular, deviations from the law inherent for Pt-3d metal nanoalloys can well explain their behaviour under operating conditions. Moreover, it appears that factors behind the remarkable electrocatalytic activity of Pt-3d metal nanoalloys, such as the large surface to unit volume ratio and “size misfit” of the constituent Pt and 3d-transition metal atoms, also contribute to their instability inside fuel cells. The new insight into the atomic-level evolution of nanoalloy electrocatalysts during their lifetime is likely to inspire new efforts to stabilize transient structure states beneficial to their activity and stability under operating conditions, if not synthesize them directly.

25 ENERGY STORAGE↗

Anion Exchange Ionomers: Impact of Chemistry on Thin-Film Properties

Ionomer thin-films (i.e., 20–100 nm) on supports serve as model systems to understand ionomer-catalyst interfacial behavior as well as the confinement-driven deviation in properties from bulk membranes. While ionomer thin-films have been examined for proton exchange ionomers, the thin-film properties of anion exchange ionomers (AEIs) remain largely unexplored. More importantly, delineating the convoluted impact of chemistry and confinement on thin-film morphology and hydration is of interest to advancing the field on functional ionic interfaces. In this work, these aspects are studied by using AEIs of different backbones (perfluorinated, aliphatic, and aromatic) and side chains (various lengths, and single versus dual functional groups). Quartz-crystal microbalance and spectroscopic ellipsometry are used to analyze density and coupled with calculated free volume fraction of thin-films to provide insights on their gas transport properties. AEI side-chain's chemical character plays a key role in how confinement modulates hydration (in thin-film versus bulk). Overall, the results elucidate the effects of backbone, side-chain chemistry versus anion/cation type in the confinement-driven changes in thin-film morphology and swelling. This study also provides new insights for tuning AEI transport functionalities at interfaces via chemistry, which can benefit the design and development of electrode-ionomers for alkaline membrane-based energy systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparing simulated demand flexibility against actual performance in commercial office buildings

Commercial building energy benchmarking has been used as a mechanism to evaluate energy use of a single building over time, relative to other similar buildings, or to simulations of a reference building conforming to various energy standards. Lack of empirical demand flexibility data and consistent flexibility metrics has limited the ability to compare demand flexibility performance with estimated demand flexibility in buildings. In this study, we collected demand response performance data for a total of 831 demand response events from 192 sites as a first step to build such a building demand flexibility dataset, and propose a standard core data schema to consolidate field data from different sources. We also performed parametric simulations of a control strategy called “global temperature adjustment” using commercial office prototype building models. We then compared the simulated demand flexibility performance against the actual data for offices with global temperature adjustment strategy implemented. During demand response events with an average outside air temperature of 34 °C (range 23 °C–42 °C), the measured demand decrease intensity of the demand flexibility metrics were 6.1 watts per square meter (W/m 2 ), 10.0 W/m 2 , 11.1 W/m 2 , 7.1 W/m 2 , and 4.7 W/m 2 for small, small–medium, medium, medium–large, and large office buildings, respectively. Compared to the measured data in medium- and large-size buildings, the simulated demand decrease intensity was 0.7 W/m 2 (17%) lower on average. The discrepancy between simulated and measured peak demand intensities fell within one standard deviation of the mean measured data. Here, the comparison results validate the credibility of simulations in capturing real building data for assessing the technical potential of building demand flexibility.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Thermal conductivity suppression in uranium-doped thorium dioxide due to phonon-spin interactions

In this work, impact of low level of uranium (U) atom substitution on thermal conductivity of thorium dioxide (ThO 2 ) is investigated. ThO 2 is an electronic insulator with a wide optical band-gap and no unpaired electrons whose thermal transport is governed by phonons. U-substitution introduces unpaired f-electrons resulting in paramagnetic behavior of U-ThO 2 at room temperature, which significantly suppresses its thermal conductivity. A single crystal of U-ThO 2 with graded composition of U is grown using a hydrothermal synthesis method, and thermal conductivity measurements are performed in regions with uniform composition of U at levels of 0%, 6%, 9% and 16%. Measured thermal conductivity profiles over 77–300 K temperature range are analyzed using an analytical expression for phonon-mediated thermal transport based on Klemens-Callaway model. Temperature dependent thermal conductivity is found to deviate significantly from the Rayleigh scattering trend expected for a simple substitutional point defect with a small perturbation to mass and interatomic forces. With the resonant scattering term, observed large suppression of thermal conductivity at low temperatures can be closely reproduced. Additionally, the extracted phonon-spin coupling constants imply a nonlinear relation of phonon-spin interaction intensity with respect to U doping percentage. Our study reveals how phonon-spin scattering contributed by unpaired f-electrons in U atoms influences thermal transport in the U-ThO 2 system.

36 MATERIALS SCIENCE↗

Modeling of Cr 2 O 3 -doped UO 2 as a near-term accident tolerant fuel for LWRs using the BISON code

The near-term Accident Tolerant Fuel (ATF) concepts consist of minor modifications of the standard UO 2 -Zr fuel rod materials to provide enhanced accident tolerance. Uranium dioxide fuel with chromia dopant, developed by AREVA, is of interest in view of its enhanced fission gas retention. The predictive capability of the BISON fuel performance code for chromia-doped UO 2 fuel is assessed through simulation of the Halden IFA-677.1 fuel rod experiment. A sensitivity analysis is conducted to interpret the deviation of code’s predictions from the experimental data. A power ramp test is also modeled with BISON and calculations are compared to the experimental database. Finally, a large-break LOCA (LBLOCA) case is simulated with BISON, leading to an initial assessment of the enhanced safety associated with chromia-doped fuel compared to the standard UO 2 fuel in LWRs

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Structural coupling and magnetic tuning in Mn 2– x Co x P magnetocalorics for thermomagnetic power generation

Promising materials for magnetic refrigeration and thermomagnetic power generation often display strong coupling between magnetism and structure. It has been previously proposed that MnCoP exhibits this strong coupling, contributing to its substantial magnetocaloric effect near T C = 578K. Here, we show from temperature-dependent synchrotron x-ray diffraction that MnCoP displays a discontinuity in the thermal expansion at T C , with spontaneous magnetostriction that is positive in the a direction and negative in the b direction, highlighting the anisotropic nature of the magnetostructural coupling. Varying the Mn:Co ratio of Mn 2– x Co x P within the range of 0.6 ≤ x ≤ 1.4 allows the magnetic properties to be tuned. T C decreases as the composition deviates from stoichiometric MnCoP, as does the saturation magnetization. The magnitude of the magnetocaloric effect, |Δ S M |, decreases as well, due to broadening of the magnetic transition. The large reversible change in magnetization Δ M accessible over a small temperature range under moderate magnetic fields makes these materials promising for thermomagnetic power generation from waste heat.

36 MATERIALS SCIENCE↗

Assessing the manufacturing tolerances and uniformity of CMOS compatible metamaterial fabrication

The manufacturing tolerances of a stencil-lithography variant, membrane projection lithography, were investigated. In the first part of this work, electron beam lithography was used to create stencils with a range of linewidths. These patterns were transferred into the stencil membrane and used to pattern metallic lines on vertical silicon faces. Only the largest lines, with a nominal width of 84 nm, were resolved, resulting in 45 ± 10 nm (average ± standard deviation) as deposited with 135-nm spacing. Although written in the e-beam write software file as 84-nm in width, the lines exhibited linewidth bias. This can largely be attributed to nonvertical sidewalls inherent to dry etching techniques that cause proportionally larger impact with decreasing feature size. The line edge roughness can be significantly attributed to the grain structure of the aluminum nitride stencil membrane. In the second part of this work, the spatial uniformity of optically defined (as opposed to e-beam written) metamaterial structures over large areas was assessed. A Fourier transform infrared spectrometer microscope was used to collect the reflection spectra of samples with optically defined vertical split ring from 25 spatially resolved 300 × 300 μm regions in a 1-cm2 area. The technique is shown to provide a qualitative measure of the uniformity of the inclusions.

36 MATERIALS SCIENCE↗

SU-F-T-564: 3 Year Experience of Treatment Plan QualityAssurance for Vero SBRT Patients

Purpose: To verify treatment plan monitor units from iPlan treatment planning system for Vero Stereotactic Body Radiotherapy (SBRT) treatment using both software-based and (homogeneous and heterogeneous) phantom-based approaches. Methods: Dynamic conformal arcs (DCA) were used for SBRT treatment of oligometastasis patients using Vero linear accelerator. For each plan, Monte Carlo calculated treatment plans MU (prescribed dose to water with 1% variance) is verified first by RadCalc software with 3% difference threshold. Beyond 3% differences, treatment plans were copied onto (homogeneous) Scanditronix phantom for non-lung patients and copied onto (heterogeneous) CIRS phantom for lung patients and the corresponding plan dose was measured using a cc01 ion chamber. The difference between the planed and measured dose was recorded. For the past 3 years, we have treated 180 patients with 315 targets. Out of these patients, 99 targets treatment plan RadCalc calculation exceeded 3% threshold and phantom based measurements were performed with 26 plans using Scanditronix phantom and 73 plans using CIRS phantom. Mean and standard deviation of the dose differences were obtained and presented. Results: For all patient RadCalc calculations, the mean dose difference is 0.76% with a standard deviation of 5.97%. For non-lung patient plan Scanditronix phantom measurements, the mean dose difference is 0.54% with standard deviation of 2.53%; for lung patient plan CIRS phantom measurements, the mean dose difference is −0.04% with a standard deviation of 1.09%; The maximum dose difference is 3.47% for Scanditronix phantom measurements and 3.08% for CIRS phantom measurements. Conclusion: Limitations in secondary MU check software lead to perceived large dose discrepancies for some of the lung patient SBRT treatment plans. Homogeneous and heterogeneous phantoms were used in plan quality assurance for non-lung patients and lung patients, respectively. Phantom based QA showed the relative good agreement between iPlan calculated dose and measured dose.

60 APPLIED LIFE SCIENCES↗

Search for metastable heavy charged particles with large ionisation energy loss in pp collisions at ${\sqrt{s} = 8}$ s = 8 TeV using the ATLAS experiment

Many extensions of the Standard Model predict the existence of charged heavy long-lived particles, such as R-hadrons or charginos. These particles, if produced at the Large Hadron Collider, should be moving non-relativistically and are therefore identifiable through the measurement of an anomalously large specific energy loss in the ATLAS pixel detector. Measuring heavy long-lived particles through their track parameters in the vicinity of the interaction vertex provides sensitivity to metastable particles with lifetimes from 0.6 ns to 30 ns. A search for such particles with the ATLAS detector at the Large Hadron Collider is presented, based on a data sample corresponding to an integrated luminosity of \(18.4\) fb\(^{-1}\) of pp collisions at \(\sqrt{s} = 8\) TeV. No significant deviation from the Standard Model background expectation is observed, and lifetime-dependent upper limits on R-hadrons and chargino production are set. Gluino R-hadrons with 10 ns lifetime and masses up to 1185 GeV are excluded at 95 \(\%\) confidence level, and so are charginos with 15 ns lifetime and masses up to 482 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Metamodeling of Droplet Activation for Global Climate Models

The nucleation of cloud droplets from the ambient aerosol is a critical physical process that must be resolved for global models to faithfully predict aerosol–cloud interactions and aerosol indirect effects on climate. To better represent droplet nucleation from a complex, multimodal, and multicomponent aerosol population within the context of a global model, a new metamodeling framework is applied to derive an efficient and accurate activation parameterization. The framework applies polynomial chaos expansion to a detailed parcel model in order to derive an emulator that maps thermodynamic and aerosol parameters to the supersaturation maximum achieved in an adiabatically ascending parcel and can be used to diagnose droplet number from a single lognormal aerosol mode. The emulator requires much less computational time to build, store, and evaluate than a high-dimensional lookup table. Compared to large sample sets from the detailed parcel model, the relative error in the predicted supersaturation maximum and activated droplet number computed with the best emulator is and (one standard deviation), respectively. On average, the emulators constructed here are as accurate and between 10 and 17 times faster than a leading physically based activation parameterization. Because the underlying parcel model being emulated resolves size-dependent droplet growth factors, the emulator captures kinetic limitations on activation. Furthermore, the results discussed in this work suggest that this metamodeling framework can be extended to accurately account for the detailed activation of a complex aerosol population in an arbitrary coupled global aerosol–climate model.

54 ENVIRONMENTAL SCIENCES↗

Flow Forecasting on New England’s Great River Hydro (CRADA 549) (Final Report)

Great River Hydro (GRH) is New England's largest conventional hydropower generator and operates sustainable hydropower systems in Vermont, New Hampshire, and Massachusetts. Several of GRH’s hydropower projects on the Connecticut River are largely constrained to operate as run-of-river; however, though a new FERC license they have opportunity in the form of flex hours where they are allowed to deviate operations to capture favorable market conditions or emergency operations. To maximize value from these new operations, GRH is considering new sources of forecasted inflow. Pacific Northwest National Laboratory (PNNL) is evaluating the quality of two commercial inflow forecasts for GRH under DOE Water Power Technology Office’s Notice of Opportunity for Technical Assistance: Improving Hydropower’s Value through Informed Decision Making. This project will provide an unbiased evaluation of the accuracy of inflow forecasts available through commercial vendors. GRH will use this information to support their decision on which inflow forecast to use under their new FERC license and to assess the overall value of the available inflow forecasting tools and practices. In this talk we will discuss details of the near real-time forecast evaluation process, the metrics involved in the evaluation, and some preliminary results. In addition, we’ll touch on the second phase of the project which involves evaluating scheduling strategies that identify windows of opportunity to change operations in ways that increase profit through participation in day ahead and real time markets.

13 HYDRO ENERGY↗

Studying magnetohydrodynamic turbulence with synchrotron polarization dispersion

We test a new technique for studying magnetohydrodynamic turbulence suggested by Lazarian and Pogosyan, using synthetic observations of synchrotron polarization. This paper focuses on a one-point statistics, which is termed polarization frequency analysis, that is characterized by the variance of polarized emission as a function of the square of the wavelength along a single line of sight. We adopt the ratio η of the standard deviation of the line-of-sight turbulent magnetic field to the line-of-sight mean magnetic field to depict the level of turbulence. When this ratio is large (η≫1), which characterizes a region dominated by turbulent field, or small (η≲0.2), which characterizes a region dominated by the mean field, we obtain the polarization variance 〈P{sup 2}〉∝λ{sup −2} or 〈P{sup 2}〉∝λ{sup −2−2m}, respectively. At small η, i.e., in the region dominated by the mean field, we successfully recover the turbulent spectral index from the polarization variance. We find that our simulations agree well with the theoretical prediction of Lazarian and Pogosyan. With existing and upcoming data cubes from the Low-Frequency Array for Radio Astronomy (LOFAR) and the Square Kilometer Array (SKA), this new technique can be applied to study the magnetic turbulence in the Milky Way and other galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Relationship between hard X-ray and EUV sources in solar flares

The high time resolution hard X-ray (not less than 15 keV) observations of medium and large impulsive solar flares made with the OSO 5 satellite are compared with the simultaneous ground-based observations of 10-1030 A EUV flux made via sudden frequency deviations (SFD) at Boulder. For most flares the agreement between the times of maxima of the impulsive hard X-ray and EUV emissions is found to be consistent with earlier studies (not less than 1 s). The rise and decay times of the EUV emission are larger than the corresponding times for X-rays not less than 30 keV. When OSO 5 hard X-ray measurements are combined with those made by OGO1, OGO 3, OGO 5, and TD 1A satellites, it is found that there is a nearly linear relationship between the energy fluxes of impulsive EUV emission and X-rays not less than 10 keV over a wide range of flare magnitudes. A model involving only a 'partial precipitation' of energetic electrons and consisting of both thick and thin target hard X-ray sources is examined.

Kane, S. R.↗