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At least 1,225 records · Page 68

A unified form of low-energy nodal electronic interactions in hole-doped cuprate superconductors

Using angle resolved photoemission spectroscopy measurements of Bi 2 Sr 2 CaCu 2 O 8+δ over a wide range of doping levels, we present a universal form for the non-Fermi liquid electronic interactions in the nodal direction in the exotic normal state phase. It is described by a continuously varying power law exponent versus energy and temperature (hence named a Power Law Liquid or PLL), which with doping varies smoothly from a quadratic Fermi Liquid in the overdoped regime, to a linear Marginal Fermi Liquid at optimal doping, to a non-quasiparticle non-Fermi Liquid in the underdoped regime. The coupling strength is essentially constant across all regimes and is consistent with Planckian dissipation. Using the extracted PLL parameters we reproduce the experimental optics and resistivity over a wide range of doping and normal-state temperature values, including the T* pseudogap temperature scale observed in the resistivity curves. This breaks the direct link to the pseudogapping of antinodal spectral weight observed at similar temperature scales and gives an alternative direction for searches of the microscopic mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Utilising demand response for distribution service restoration to achieve grid resiliency against natural disasters

The increased frequency of power outages due to natural disasters in recent years has highlighted the urgency of enhancing distribution grid resilience. The effective distribution service restoration (DSR) is an important measure for a resilient distribution grid. In this work, the authors demonstrate that DSR can be significantly improved by leveraging the flexibility provided by the inclusion of demand response (DR). The authors propose a framework for this by considering integrated control of household-level flexible appliances to vary the load demand at the distribution-grid level to improve DSR. The overall framework of the proposed system is modelled as a three-step method considering three optimization problems to (i) calculate feasible controllable aggregated load range for each bus, (ii) determine candidate buses to perform DR and their target load demand, and (iii) maintain the load level in each house through home energy management during the DSR, considering uncertainties in load and solar generation sequentially. The optimization problems are formulated as linear programming, mixed-integer linear programming, and multistage stochastic programming (solved using the stochastic dual dynamic programming) models. Finally, case studies performed in the IEEE 123-node test feeder show improvements in resilience in terms of energy restored compared to the restoration process without DR.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An analytical approach to evaluating magnetic-field closure and topological changes in FRC devices

Here, we describe mathematical methods based on optimizing a modified non-linear flux function (MFF) to evaluate whether odd-parity perturbations affect the local closure of magnetic field lines in field-reversed configurations. Using the MFF methodology, quantitative formulas are derived that provide the shift of the field minimum and the threshold for field-line opening, a discontinuous change in field topology.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Step towards Energy Efficient Computing: Redesigning a Hydrodynamic Application on CPU-GPU, In: 2014 IEEE 28th International Parallel and Distributed Processing Symposium

Power and energy consumption are becoming an increasing concern in high performance computing. Compared to multi-core CPUs, GPUs have a much better performance per watt. In this paper we discuss efforts to redesign the most computation intensive parts of BLAST, an application that solves the equations for compressible hydrodynamics with high order finite elements, using GPUs BLAST, Dobrev. In order to exploit the hardware parallelism of GPUs and achieve high performance, we implemented custom linear algebra kernels. We intensively optimized our CUDA kernels by exploiting the memory hierarchy, which exceed the vendor's library routines substantially in performance. We proposed an auto tuning technique to adapt our CUDA kernels to the orders of the finite element method. Compared to a previous base implementation, our redesign and optimization lowered the energy consumption of the GPU in two aspects: 60% less time to solution and 10% less power required. Compared to the CPU-only solution, our GPU accelerated BLAST obtained a 2.5× overall speedup and 1.42× energy efficiency (green up) using 4th order (Q_4) finite elements, and a 1.9× speedup and 1.27× green up using 2nd order (Q2) finite elements.

Computer Science↗

TRINIDI: Time-of-Flight Resonance Imaging With Neutrons for Isotopic Density Inference

Accurate reconstruction of 2D and 3D isotope densities is a desired capability with great potential impact in applications such as evaluation and development of next-generation nuclear fuels. Neutron time-of-flight (TOF) resonance imaging offers a potential approach by exploiting the characteristic neutron absorption spectra of each isotope. However, it is a major challenge to compute quantitatively accurate images due to a variety of confounding effects such as severe Poisson noise, background scatter, beam non-uniformity, absorption non-linearity, and extended source pulse duration. We present the TRINIDI algorithm which is based on a two-step process in which we first estimate the neutron flux and background counts, and then reconstruct the areal densities of each isotope and pixel. Both components are based on the inversion of a forward model that accounts for the highly non-linear absorption, energy-dependent emission profile, and Poisson noise, while also modeling the substantial spatio-temporal variation of the background and flux. Further, to do this, we formulate the non-linear inverse problem as two optimization problems that are solved in sequence. We demonstrate on both synthetic and measured data that TRINIDI can reconstruct quantitatively accurate 2D views of isotopic areal density that can then be reconstructed into quantitatively accurate 3D volumes of isotopic volumetric density.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Optimizing Power–Frequency Droop Characteristics of Distributed Energy Resources

This paper outlines a procedure to design power-frequency droop slopes for distributed energy resources (DERs) installed in distribution networks to optimally participate in primary frequency response. In particular, the droop slopes are engineered such that DERs respond in proportion to their power ratings and they are not unfairly penalized in power provisioning based on their location in the distribution network. The main contribution of our approach is that a guaranteed level of frequency regulation can be guaranteed at the feeder head, while ensuring that the outputs of individual DERs conform to some well-defined notion of fairness. The approach we adopt leverages an optimization-based perspective and suitable linearizations of the power-flow equations to embed notions of fairness and information regarding the physics of the power flows within the distribution network into the droop slopes. Time-domain simulations from a differential algebraic equation model of the 39-bus New England test-case system augmented with three instances of the IEEE 37-node distribution-network with frequency-sensitive DERs are provided to validate our approach.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Deformable segmentation of 3D MR prostate images via distributed discriminative dictionary and ensemble learning

Purpose: Automatic prostate segmentation from MR images is an important task in various clinical applications such as prostate cancer staging and MR-guided radiotherapy planning. However, the large appearance and shape variations of the prostate in MR images make the segmentation problem difficult to solve. Traditional Active Shape/Appearance Model (ASM/AAM) has limited accuracy on this problem, since its basic assumption, i.e., both shape and appearance of the targeted organ follow Gaussian distributions, is invalid in prostate MR images. To this end, the authors propose a sparse dictionary learning method to model the image appearance in a nonparametric fashion and further integrate the appearance model into a deformable segmentation framework for prostate MR segmentation. Methods: To drive the deformable model for prostate segmentation, the authors propose nonparametric appearance and shape models. The nonparametric appearance model is based on a novel dictionary learning method, namely distributed discriminative dictionary (DDD) learning, which is able to capture fine distinctions in image appearance. To increase the differential power of traditional dictionary-based classification methods, the authors' DDD learning approach takes three strategies. First, two dictionaries for prostate and nonprostate tissues are built, respectively, using the discriminative features obtained from minimum redundancy maximum relevance feature selection. Second, linear discriminant analysis is employed as a linear classifier to boost the optimal separation between prostate and nonprostate tissues, based on the representation residuals from sparse representation. Third, to enhance the robustness of the authors' classification method, multiple local dictionaries are learned for local regions along the prostate boundary (each with small appearance variations), instead of learning one global classifier for the entire prostate. These discriminative dictionaries are located on different patches of the prostate surface and trained to adaptively capture the appearance in different prostate zones, thus achieving better local tissue differentiation. For each local region, multiple classifiers are trained based on the randomly selected samples and finally assembled by a specific fusion method. In addition to this nonparametric appearance model, a prostate shape model is learned from the shape statistics using a novel approach, sparse shape composition, which can model nonGaussian distributions of shape variation and regularize the 3D mesh deformation by constraining it within the observed shape subspace. Results: The proposed method has been evaluated on two datasets consisting of T2-weighted MR prostate images. For the first (internal) dataset, the classification effectiveness of the authors' improved dictionary learning has been validated by comparing it with three other variants of traditional dictionary learning methods. The experimental results show that the authors' method yields a Dice Ratio of 89.1% compared to the manual segmentation, which is more accurate than the three state-of-the-art MR prostate segmentation methods under comparison. For the second dataset, the MICCAI 2012 challenge dataset, the authors' proposed method yields a Dice Ratio of 87.4%, which also achieves better segmentation accuracy than other methods under comparison. Conclusions: A new magnetic resonance image prostate segmentation method is proposed based on the combination of deformable model and dictionary learning methods, which achieves more accurate segmentation performance on prostate T2 MR images.

60 APPLIED LIFE SCIENCES↗

SU-E-I-11: Cascaded Linear System Model for Columnar CsI Flat Panel Imagers with Depth Dependent Gain and Blur

Purpose: To implement a depth dependent gain and blur cascaded linear system model (CLSM) for optimizing columnar structured CsI indirect conversion flat panel imager (FPI) for advanced imaging applications. Methods: For experimental validation, depth dependent escape efficiency, e(z), was extracted from PHS measurement of different CsI scintillators (thickness, substrate and light output). The inherent MTF and DQE of CsI was measured using high resolution CMOS sensor. For CLSM, e(z) and the depth dependent MTF(f,z), were estimated using Monte Carlo simulation (Geant4) of optical photon transport through columnar CsI. Previous work showed that Monte Carlo simulation for CsI was hindered by the non-ideality of its columnar structure. In the present work we allowed variation in columnar width with depth, and assumed diffusive reflective backing and columns. Monte Carlo simulation was performed using an optical point source placed at different depth of the CsI layer, from which MTF(z,f) and e(z) were computed. The resulting e(z) with excellent matching with experimental measurements were then applied to the CLSM, Monte Carlo simulation was repeated until the modeled MTF, DQE(f) also match experimental measurement. Results: For a 150 micron FOS HL type CsI, e(z) varies between 0.56 to 0.45, and the MTF at 14 cycles/mm varies between 62.1% to 3.9%, from the front to the back of the scintillator. The overall MTF and DQE(f) at all frequencies are in excellent agreement with experimental measurements at all frequencies. Conclusion: We have developed a CLSM for columnar CsI scintillators with depth dependent gain and MTF, which were estimated from Monte Carlo simulation with novel optical simulation settings. Preliminary results showed excellent agreement between simulation results and experimental measurements. Future work is aimed at extending this approach to optimize CsI screen optic design and sensor structure for achieving higher DQE(f) in cone-beam CT, which uses high kVp.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Egret v. 0.1 (beta)

Egret is a package that provides tools for building electric grid optimization models. This software includes objects and functions for parsing, storing, and managing electric grid data. Egret also includes the following electric grid models: - ACOPF (alternating current optimal power flow) - DCOPF – a linearized transmission model - ACOPF relaxations - Unit commitment - Economic dispatch

Knueven, Bernard↗

Enhancing Analytical Performance of (Mg,Fe)3O4/Glassy Carbon Electrodes by Tailoring Chemical Composition of (Mg,Fe)3O4 Nanoparticles

A series of MgxFe3-xO{sup 4} (x = 0-1) nanoparticles was synthesized in order to prepare novel MgxFe3-xO{sup 4}/glassy carbon modified electrodes. Effects of magnesium content (x) on the analytical performance of the modified electrodes in the detection of gallic acid were evaluated. It was found that magnesium concentration and crystallite/particle size of the prepared nanoparticles play significant roles in the sensing properties of modified electrodes. The increase of magnesium concentration up to the value of x = 0.4 in MgxFe3-xO{sup 4}/glassy carbon paste was accompanied by an increase of the corresponding oxidation current of gallic acid. However, further growth of x value caused decline of the obtained oxidation current. An electroanalytical procedure was established, and the analytical performance of the proposed Mg0.4Fe2.6O{sup }4#/glassy carbon paste electrode was monitored using previously optimized experimental conditions. A working linear range from 1-39 µM gallic acid was obtained with detection limit of 0.29 µM. According to these results, the developed procedure can be applied for detection of low concentrations of gallic acid with satisfactory selectivity in the presence of some common naturally occurring compounds. Experimental results indicate that the developed procedure could be a novel approach in the detection of antioxidant, overcoming some known disadvantages such as passivation, and could be a promising replacement for sophisticated chromatographic methods.

60 APPLIED LIFE SCIENCES↗

Dynamic wavelength control of laser pulse profiles at picosecond to nanosecond timescales

We report on a novel combined laser pulse shaping and dynamic wavelength encoding capability based on a simple architecture implementing direct space to time mapping. There are several potential applications that can be enabled by the ability to control the instantaneous intensity or wavelength of an optical waveform on a picosecond-to-nanosecond timescale. To our knowledge, no known methods can access this temporal regime with a practical architecture. Here, we demonstrate an extension of the Space–Time Induced Linearly Encoded Transcription for Temporal Optimization (STILETTO) technique that can generate optical waveforms with a programmable instantaneous wavelength vs. time. We experimentally demonstrate the technique by generating self-gated spectrograms and show that it can encode dynamic wavelength vs time profiles at timescales not achievable by any other known method.

47 OTHER INSTRUMENTATION↗

Programmable, direct space-to-time picosecond resolution pulse shaper with nanosecond record

In this work, we demonstrate a novel, to the best of our knowledge, extension of optical arbitrary waveform generation capable of picosecond resolution over nanosecond duration. The method, called space–time induced linearly encoded transcription for temporal optimization, is based on direct space-to-time pulse shaping and is extended here to single-mode output with a programmable temporal profile. We develop the theory of operation and discuss ultimate limits on resolution, record length, and efficiency. We report on the results of an experimental demonstration showing ~1ps resolution over 600 ps.

42 ENGINEERING↗

Thin Internal Target Studies in a Compact FFAG

The production of radioisotopes using a thin internal target and recycled beam within a compact FFAG design has been studied. Radioisotopes have a wide range of uses in medicine, and recent disruption to the supply chain has seen a renewed effort to find alternative isotopes and production methods. The FFAG design features separate sector magnets with non-scaling, non-linear field gradients which are optimized with magnet geometry to achieve isochronisity at the level of 0.3%, sufficient for Continuous Wave (CW) operation. Simulations have demonstrated that beam currents of up to 10mA can comfortably be achieved with this design. To further improve production efficiency a thin internal target, where the beam passes through the target and is recirculated, may be used. This setup ensures that production takes place within a narrow energy range, potentially increasing production rates and reducing impurities.

43 PARTICLE ACCELERATORS↗

Efficient Algorithm for Locating and Sizing Series Compensation Devices in Large Transmission Grids: Model Implementation (PART 1)

We explore optimization methods for planning the placement, sizing and operations of Flexible Alternating Current Transmission System (FACTS) devices installed to relieve transmission grid congestion. We limit our selection of FACTS devices to Series Compensation (SC) devices that can be represented by modification of the inductance of transmission lines. Our master optimization problem minimizes the l 1 norm of the inductance modification subject to the usual line thermal-limit constraints. We develop heuristics that reduce this non-convex optimization to a succession of Linear Programs (LP) which are accelerated further using cutting plane methods. The algorithm solves an instance of the MatPower Polish Grid model (3299 lines and 2746 nodes) in 40 seconds per iteration on a standard laptop—a speed up that allows the sizing and placement of a family of SC devices to correct a large set of anticipated congestions. We observe that our algorithm finds feasible solutions that are always sparse, i.e., SC devices are placed on only a few lines. In a companion manuscript, we demonstrate our approach on realistically-sized networks that suffer congestion from a range of causes including generator retirement. In this manuscript, we focus on the development of our approach, investigate its structure on a small test system subject to congestion from uniform load growth, and demonstrate computational efficiency on a realistically-sized network.

25 ENERGY STORAGE↗

Basic Research Needs in Quantum Computing and Networking

Employing quantum mechanical resources in computing, information processing, and networking opens the door to potential exponential advantages over classical counterparts. However, quantifying and realizing such advantages poses extensive scientific and engineering challenges. Department of Energy (DOE) investments have driven steady progress in addressing such challenges. Recently developed quantum algorithms offer asymptotic exponential advantages in speed or accuracy for fundamental scientific problems. These problems include simulating physical systems, solving systems of linear equations, differential equations, and optimization problems. Empirical demonstrations on nascent quantum hardware suggest better performance on contrived computational tasks than classical analogs. However, the requirements for a quantum computer or network to demonstrate an end-to-end rigorously quantifiable performance improvement over classical analogs remains a grand challenge, especially for problems of practical value. In particular, what will be required for quantum technology to ultimately exhibit scalable, rigorous, and transformative performance advantages for practical applications? In July 2023, DOE’s Advanced Scientific Computing Research program in the Office of Science convened the Workshop on Basic Research Needs in Quantum Computing and Networking, where major opportunities and grand challenges were identified. The following five priority research directions (PRDs) were identified as a result of the workshop.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Rapid Optimization of Total Variation with Applications in Imaging, Additive Manufacturing, and Qualification

Total Variation optimization penalizes the gradient of a control variable or state. While this work focuses on image processing in particular, it has also found applications in inverse problems and topology optimization. In image processing, the goal is to maintain faithfulness to the original image while denoising and/or deblurring. Additionally, bilevel optimization over the spatially varying regularization weights can illuminate interfaces such as damage regions and other anomalies. We will address two fundamental challenges with TV-optimization: (i) the typical slow convergence of existing TV-optimization methods, and (ii) the selection of spatially varying TV parameters to promote interface detection. Additionally, we will apply such techniques to image data collected in additive manufacturing. In said context, stochasticity in build events induces flaws in the manufactured piece, compromising the integrity of said part. There is a critical need for in-situ monitoring to spot anomalies once they form, and in this setting we apply our total variation and hyperparameter solvers. We will develop a customized algorithm based on for extreme-scale TV-optimization that achieves super-linear or quadratic-convergence, a critical property for real-time, image-by-image analysis. A worst-case outcome is a preprocessing step that enhances image quality in-situ, specifically for out-of-focus and noisy images.

36 MATERIALS SCIENCE↗

Unraveling Electronic and Vibrational Coherences Following a Charge Transfer Process in a Photosystem II Reaction Center

A reaction center is a unique biological system that performs the initial charge separation within a Photosystem II (PSII) multiunit enzyme, which eventually drives the catalytic water-splitting in plants and algae. The possible role of quantum coherences coinciding with the energy and charge transfer processes in PSII reaction center is one of the active areas of research. Here, we study these quantum coherences by using a numerically exact method on an excitonic dimer model, including linear vibronic coupling and employing optimal parameters from experimental two-dimensional coherent spectroscopic measurements. This enables us to precisely capture the excitonic interaction between pigments and the dissipation of the energy from electronic and charge-transfer (CT) states to the protein environment. We employ the time nonlocal (TNL) quantum master equation to calculate the population dynamics, which yields numerically reliable results. The calculated results show that, due to the strong dissipation, the lifetime of electronic coherence is too short to have direct participation in the charge transfer processes. However, there are long-lived vibrational coherences present in the system at frequencies close to the excitionic energy gap. These are strongly coupled with the electronic coherences, which makes the detection of the electronic coherences with conventional techniques very challenging. Additionally, we unravel the strong excitonic interaction of radical pair (PD1 and PD2) in the reaction center, which results in a long-lived electronic coherence of >100 fs, even at room temperature. Our work provide important physical insight to the charge separation process in PSII reaction center, which may be helpful for better understanding of photophysical processes in other natural and artificial light-harvesting systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗