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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 613 records · Page 34

Managing time-substitutable electricity usage using dynamic controls

A predictive-control approach allows an electricity provider to monitor and proactively manage peak and off-peak residential intra-day electricity usage in an emerging smart energy grid using time-dependent dynamic pricing incentives. The daily load is modeled as time-shifted, but cost-differentiated and substitutable, copies of the continuously-consumed electricity resource, and a consumer-choice prediction model is constructed to forecast the corresponding intra-day shares of total daily load according to this model. This is embedded within an optimization framework for managing the daily electricity usage. A series of transformations are employed, including the reformulation-linearization technique (RLT) to obtain a Mixed-Integer Programming (MIP) model representation of the resulting nonlinear optimization problem. In addition, various regulatory and pricing constraints are incorporated in conjunction with the specified profit and capacity utilization objectives.

Ghosh, Soumyadip↗

The overvoltage protection module for the power supply system for the pixel detector at Belle II experiment at KEK

In this paper the overvoltage protection modules (OVP) for the power supply (PS) system of the Belle II pixel detector (PXD) are described. The aim of the OVP is to protect the detector and associated electronics against overvoltage conditions. Most critical in the system are voltages supplying the front-end ASICs. The PXD detector consists of the DEPFET sensor modules with integrated chips like the Drain Current Digitizer, the Switcher and the Data Handling Processor. These chips, implemented in modern sub-micron technologies, are quite vulnerable to variations in the supply voltages. The PXD will be placed in the Belle II experiment as close as possible to the interaction point, where access during experiment is very limited or even impossible, thus the PS and OVP systems exploit the remote-sensing method. Overvoltage conditions are due to failures of the PS itself, wrong setting of the output voltages or transient voltages coming out of hard noisy environment of the experiment. The OVP modules are parts of the PS modules. For powering the PXD 40 PS modules are placed 15 m outside the Belle II spectrometer. Each one is equipped with the OVP board. All voltages (22) are grouped in 4 domains: Analog, Digital, Steering and Gate which have independent grounds. The OVP boards are designed from integrated circuits from Linear Technology. All configurations were simulated with the Spice program. The control electronics is designed in a Xilinx CPLD. Two types of integrated circuits were used. LT4356 surge stopper protects loads from high voltage transients. The output voltages are limited to a safe value and also protect loads against over current faults. For less critical voltages, the LTC2912 voltage monitors are used that detect under-voltage and overvoltage events. It has to be noted that the OVP system is working independently of any other protection of the PS system, which increases its overall reliability. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Flattening the Radial Temperature Profile across the Transformational Challenge Reactor Core

The Transformational Challenge Reactor (TCR) program is demonstrating an agile development approach to advanced nuclear reactor design, which has traditionally utilized a linear design process. In leveraging artificial intelligence, additive manufacturing, advanced materials, and cutting-edge modeling and simulation, the TCR program aims to minimize the high cost and lengthy deployment timelines now standard in the nuclear industry. Within a relatively short period of time, a robust and mature advanced gas-cooled reactor was iteratively designed under the TCR program, using these cutting-edge technologies. The TCR is a 3 MWt gas-cooled microreactor fueled with uranium nitride (UN) tristructural isotropic (TRISO) fuel particles. Though manufactured via traditional means, these UN TRISO particles are loaded into additively manufactured silicon carbide (SiC) cans [4]. Once loaded with TRISO particles, the SiC cans are densified using a chemical vapor infiltration process. The additively manufactured SiC enables significantly more freedom in the design of the fuel form than could ever be achieved using traditionally manufactured SiC. The helium coolant, pressurized to 5 MPa, enters the core at 300°C and nominally exits it at 500°C. Typically, the most thermally limiting components in any reactor design are the fuel assemblies in the core center. To provide a wide thermal margin in these central fuel assemblies, the flow may be biased toward the center of the core to more effectively cool these fuel assemblies with more power deposition and flatten the core’s radial temperature distribution. An analytical fluid model of the TCR core was developed to explore methods for biasing the flow away from the cooler outer fuel assemblies and towards the hotter inner ones. Higher-fidelity models developed in STAR-CCM+ 2020.3.1, a computational fluid dynamics code, were then utilized to verify the analytical model’s findings.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Bound- and Equality-Constrained Quadratic Programming Method for Image Reconstruction

Image deblurring is modeled as an ill-posed, linear inverse problem and can be written in terms of an optimization problem. By adding bound and equality constraints and/or penalty terms to the objective function, the problem is regularized and a viable solution exists; however, there are few methods available for solving such constrained problems. Here we formulate two regularized solutions into constrained optimization problems and adapt an iterative augmented Lagrangian solver. Results are shown on synthetic data in one- and two-dimensions, as well as on a radiograph used to calibrate the transmission curve of a pulsed power X-ray source at a U.S. Department of Energy radiography facility.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The Problem of Package Guidance with Incomplete Information for a Linear Control System with a Delay

The control-package method is applied to solve the problem of constructing guaranteed positional guidance for a linear control dynamical system with a delay under incomplete information about the initial state. The problem is solved for the case when the initial state is contained in a compact functional set. A solvability criterion and a method for the construction of a guidance program package are proposed. The proposed procedure is applied to a particular linear control system of delayed differential equations.

97 MATHEMATICS AND COMPUTING↗

Measurement of polarization observables in vector meson photoproduction using a transversely-polarized frozen-spin target and polarized photons at CLAS, Jefferson Lab

The study of baryon resonances provides a deeper understanding of the strong interaction because the dynamics and relevant degrees of freedom hidden within them are re ected by the properties of the excited states of baryons. Higher-lying excited states at and above 1.7 GeV/c 2 are generally predicted to have strong couplings to final states involving a heavier meson, e. g. one of the vector mesons, ρ, ω φ, as compared to a lighter pseudoscalar meson, e. g. π and η. Decays to the ππΝ final states via πΔ also become more important through the population of intermediate resonances. We observe that nature invests in mass rather than momentum. The excited states of the nucleon are usually found as broadly overlapping resonances which may decay into a multitude of final states involving mesons and baryons. Polarization observables make it possible to isolate single resonance contributions from other interference terms. The CLAS g9 (FROST) experiment, as part of the N* spectroscopy program at Jefferson Laboratory, accumulated photoproduction data using circularly- & linearly-polarized photons incident on a transversely-polarized butanol target (g9b experiment) in the photon energy range 0:3-2:4 GeV & 0:7-2:1 GeV, respectively. In this work, the analysis of reactions and polarization observables which involve two charged pions, either in the fully exclusive reaction γρ -> ρπ+π- or in the semi-exclusive reaction with a missing neutral pion, γρ -> ρπ + π - (π 0 ) will be presented. For the reaction ρπ + π - , eight polarization observables (I s , I c , P x , P y , $P^s_{x;y}$, $P^c_{x; y}$) have been extracted. The high statistics data rendered it possible to extract these observables in three dimensions. All of them are first-time measurements. The fairly good agreement of Is, Ic obtained from this analysis with the experimental results from a previous CLAS experiment provides support for the first-time measurements. For the reaction γρ -> ρω -> ρπ + π(π 0 , five polarization observables (T, Σ, F, H, P) have been extracted, four of which are first-time measurements at all energies. This analysis thus represents a comprehensive program on vector-meson photoproduction: The ω is observed and studied directly from the data and the polarization observables for the (broad) ω can be extracted from the double-pion reaction in a partial-wave analysis. The 13 polarization observables extracted in this analysis substantially augment the world database of polarization observables for these reactions and are expected to play a crucial role in identifying the contributing baryon resonances.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sanibel Symposium in the Petascale-Exascale Computational Era

The 56 th Sanibel Symposium was held February 14-19 2016 at the King and Prince Hotel, St. Simons Island, GA. It successfully brought quantum chemists and chemical and condensed matter physicists together in presentations, posters, and informal discussions bridging those two communities. The Symposium has had a significant role in preparing generations of quantum theorists. As computational potency and algorithmic sophistication have grown, the Symposium has evolved to emphasize more heavily computationally oriented method development in chemistry and materials physics, including nanoscience, complex molecular phenomena, and even bio-molecular methods and problems. Given this context, the 56 th Sanibel meeting systematically and deliberately had sessions focused on exascale computation. A selection of outstanding theoretical problems that need serious attention was included. Five invited sessions, two contributed sessions (hot topics), and a poster session were organized with the exascale theme. This was a historic milestone in the evolution of the Symposia. Just as years ago linear algebra, perturbation theory, density matrices, and band-structure methods dominated early Sanibel Symposia, the exascale sessions of the 56 th meeting contributed a transformative influence to add structure and strength to the computational physical science community in an unprecedented way. A copy of the full program of the 56 th Symposium is attached. The exascale sessions were Linear Scaling, Non-Adabatic Dynamics, Interpretive Theory and Models, Computation, Software, and Algorithms, and Quantum Monte Carlo. The Symposium Proceedings will be published in Molecular Physics (2017). Note that the Sanibel proceedings from 2015 and 2014 were published as Molecular Physics vol. 114, issue 3-4 (2016) and vol. 113, issue 3-4 (2015) respectively.

36 MATERIALS SCIENCE↗

Measurement of ( n, γ ) cross section of 90 Zr [Abstract]

The isotopes of Zr with A = [90, 91, 92, 94] make up more than 97% of naturally occurring Zr and are important to many nuclear applications such as nuclear reactors. One of the attractive qualities of naturally occurring Zr isotopes is that they have a low σγ/σt ratio at most neutron energies, such that they improve the neutron economy in reactors by preferentially scattering neutrons rather than absorbing them. This same quality also presents a challenge to measuring the capture cross section, σγ, of Zr isotopes. The ENDF/B-VIII.0 library has a relative uncertainty of approximately 10-20% for incident neutron energies < 0.1 MeV, and uncertainty greater than 20% for energies > 0.1 MeV for the majority of natural Zr isotopes. This motivated the Nuclear Criticality Safety Program (NCSP) to embark on a campaign to accurately measure and evaluate these isotopes of Zr. Here we will show energy-dependent neutron capture cross section measurements for the first enriched sample to be measured: 90 Zr. The measurements of isotopically enriched samples are being carried out at the Geel Electron Linear Accelerator (GELINA) facility of the Joint Research Center - Geel (JRC-Geel) of the European Union. As isotopic enrichment is a costly process we are careful not to activate any of the samples, as this may hinder future radiation-sensitive measurements. The activation analysis is presented in a report by Brown et al.. Once we were satisfied that the Zr samples would not be activated by the measurements, the 90 Zr sample was fabricated at Oak Ridge National Laboratory (ORNL) and shipped to GELINA. The dimensions of the cylindrical sample are approximately 0.12 cm thick and a radius of 2.5 cm. Since 90 Zr is not chemically reactive to air, bare metallic samples were employed. The sample was measured at a flight path (FP) length of 60 m, using four C 6 D 6 detectors on FP14. The final paper will include experimental details and measured cross section data for 90 Zr compared to current evaluated nuclear data libraries.

07 ISOTOPE AND RADIATION SOURCES↗

Symmetric Indefinite Linear Solver Using OpenMP Task on Multicore Architectures

Recently, the Open Multi-Processing (OpenMP) standard has incorporated task-based programming, where a function call with input and output data is treated as a task. At run time, OpenMP's superscalar scheduler tracks the data dependencies among the tasks and executes the tasks as their dependencies are resolved. On a shared-memory architecture with multiple cores, the independent tasks are executed on different cores in parallel, thereby enabling parallel execution of a seemingly sequential code. With the emergence of many-core architectures, this type of programming paradigm is gaining attention-not only because of its simplicity, but also because it breaks the artificial synchronization points of the program and improves its thread-level parallelization. In this paper, we use these new OpenMP features to develop a portable high-performance implementation of a dense symmetric indefinite linear solver. Obtaining high performance from this kind of solver is a challenge because the symmetric pivoting, which is required to maintain numerical stability, leads to data dependencies that prevent us from using some common performance-improving techniques. To fully utilize a large number of cores through tasking, while conforming to the OpenMP standard, we describe several techniques. Our performance results on current many-core architectures-including Intel's Broadwell, Intel's Knights Landing, IBM's Power8, and Arm's ARMv8-demonstrate the portable and superior performance of our implementation compared with the Linear Algebra PACKage (LAPACK). The resulting solver is now available as a part of the PLASMA software package.

Computer Science↗

HHL algorithm with mapping function and enhanced sampling for model predictive control in microgrids

Here, this paper presents a refined quantum Harrow Hassidim Lloyd (HHL) algorithm for microgrid control. The first novelty of the developed method is that a mapping shift function enables the original HHL algorithm to handle general linear equations with non-singular and indefinite matrix. Second, a method of Matrix Extension for Amplifying Sampling Probabilities of Intended Solution (ME-ASPI) is proposed to design the reformulated linear algebraic equations, allowing for improved sampling efficiency of the quantum tomography in the refined HHL algorithm. Then, we applied the method to solve the model predictive control (MPC) problem in nonlinear dynamical microgrids. Specifically, with the ME-ASPI method, the refined HHL algorithm can effectively obtain the intended partial optimal control inputs for MPC. The optimization of quadratic programming problem in each time step of MPC is transformed into a linear system problem, which is addressed by the proposed quantum solver through using only partial information, with the time complexity improved from $\mathscr{O}(\mathscr{N}^{2.37286})$ classically to $\mathscr{O}(\mathscr{N}^{2} log \mathscr{N}$ x $p$ log $p)$ in quantum. Numerical examples have validated the effectiveness of the refined HHL algorithm with the proposed mapping function and the ME-ASPI method. By leveraging quantum properties, the proposed method provides a hybrid quantum–classical framework for microgrid control. This generic method can also potentially tackle many other challenges in analyzing and controlling general complex engineered systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem

Computational simulation of non-adiabatic molecular dynamics is an indispensable tool for understanding complex photoinduced processes such as internal conversion, energy transfer, charge separation, and spatial localization of excitons, to name a few. Here, we report an implementation of the fewest-switches surface hopping algorithm in the NWChem computational chemistry program. Here the surface hopping method is combined with linear-response time-dependent density functional theory calculations of adiabatic excited state potential energy surfaces. To treat quantum transitions between arbitrary electronic Born{Oppenheimer states, we have implemented both numerical and analytical differentiation schemes for derivative non-adiabatic couplings. A numerical approach for the time-derivative non-adiabatic couplings together with an analytical method for calculating non-adiabatic coupling vectors is an efficient combination for surface hopping approaches. Additionally, electronic decoherence schemes and a state reassigned unavoided crossings algorithm are also implemented to improve the accuracy of the simulated dynamics and to handle trivial unavoided crossings. We apply our code to study the ultrafast decay of photoexcited benzene, including a detailed analysis of the potential energy surface, population decay time scales, and vibrational coordinates coupled to the excitation dynamics. The development presented in this work is a baseline for future implementations of more sophisticated frameworks for simulating of non-adiabatic molecular dynamics in NWChem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ALESQP: An Augmented Lagrangian Equality-Constrained SQP Method for Optimization with General Constraints

Here we present a new algorithm for infinite-dimensional optimization with general constraints, called ALESQP. In short, ALESQP is an augmented Lagrangian method that penalizes inequality constraints and solves equality-constrained nonlinear optimization subproblems at every iteration. The subproblems are solved using a matrix-free trust-region sequential quadratic programming (SQP) method that takes advantage of iterative, i.e., inexact linear solvers, and is suitable for large-scale applications. A key feature of ALESQP is a constraint decomposition strategy that allows it to exploit problem-specific variable scalings and inner products. We analyze convergence of ALESQP under different assumptions. We show that strong accumulation points are stationary. Consequently, in finite dimensions ALESQP converges to a stationary point. In infinite dimensions we establish that weak accumulation points are feasible in many practical situations. Under additional assumptions we show that weak accumulation points are stationary. We present several infinite-dimensional examples where ALESQP shows remarkable discretization-independent performance in all of its iterative components, requiring a modest number of iterations to meet constraint tolerances at the level of machine precision. Also, we demonstrate a fully matrix-free solution of an infinite-dimensional problem with nonlinear inequality constraints.

97 MATHEMATICS AND COMPUTING↗

Progress on an Electron Beam Profile Monitor at the Fermilab Main Injector

The current program at Fermilab involves the construction of a new superconducting linear accelerator (LINAC) to replace the existing warm version. The new LINAC, together with other planned improvements, is in support of proton beam intensities in the Main Injector (MI) that will exceed 2 MW. Measuring the transverse profiles of these high intensity beams in a ring requires non-invasive techniques. The MI uses ionization profile monitors as its only profile system. An alternative technique involves measuring the deflection of a probe beam of electrons with a trajectory perpendicular to the proton beam. This type of device was installed in MI and initial studies of it have been previously presented. This paper will present the status and recent studies of the device utilizing different techniques.

43 PARTICLE ACCELERATORS↗

Progress on an Electron Beam Profile Monitor at the Fermilab Main Injector

The current program at Fermilab involves the construction of a new superconducting linear accelerator (LINAC) to replace the existing warm version. The new LINAC, together with other planned improvements, is in support of proton beam intensities in the Main Injector (MI) that will exceed 2 MW. Measuring the transverse profiles of these high intensity beams in a ring requires non-invasive techniques. The MI uses ionization profile monitors as its only profile system. An alternative technique involves measuring the deflection of a probe beam of electrons with a trajectory perpendicular to the proton beam. This type of device was installed in MI and initial studies of it have been previously presented. This paper will present the status and recent studies of the device utilizing different techniques.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Fully Robotic Hot Cell Crane for Target Hall Operations at Isotope Research Facility - 18329

There are many types of equipment used in high radiation environments, but the super-sized and high precision lifting requirements for an isotope research facility in the USA called for one of the largest fully robotic cranes in the US. The 20 Ton Remote Handling Bridge Crane provided by PaR Systems met many challenging requirements for accuracy, repeatability and unique lifting motions in the radiation-shielded target hall of this facility. This robotic system was designed to address four main issues. The first is that the crane needed to be operated remotely due to high radioactivity during the time when it is needed most. Second is that high precision is needed due to the complex fit of multiple heavy shielding blocks. Third problem is that automated routines and exclusion areas were needed due to the remote operation of the system around high capital cost equipment. Lastly is the survivability of the equipment due to the high radiation environment. The facility robotic crane is an overhead top running multiple girder hot cell bridge crane (hereafter referred to as the system). The system is intended to be used in either manually operated or automated operation under computer control. Under automated control, the system provides highly accurate motion control in three linear axes as well as hook rotation. Using motion control programming, this highly accurate system ensures safe, remote movement of in-cell components. The system was designed to be remotely operated by a technician from the remote handling control room in the facility. This is facilitated by computer control using the System Graphical User Interface with feedback from a facility supplied video system. It can also be operated using a wireless hand held controller. The system will be used to place sensitive components with high precision in locations that will be difficult to observe directly. In order to accomplish this, it is critical that the system be capable of moving its payload with minimal swing, and with high accuracy, repeatability and reliability. The system will be operating in an environment where it will be exposed to both high energy neutrons and gamma radiation. Under beam-off conditions, the target hall will be hands-on accessible to accommodate crane maintenance. The system was installed and tested in early 2017 in advance of the live operations of the facility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Porting the Nonlinear Optimization Library HiOp to Accelerator-Based Hardware Architectures

While interior point method has been the centerpiece of nonlinear programming tools used in science and engineering, its reliance on linear solvers that can tackle sparse symmetric indefinite and highly ill-conditioned problems made it difficult to implement it effectively on hardware accelerators. HiOp optimization package attempts to provide an implementation of the interior point method suitable for hardware accelerators by compressing the original sparse problem to produce an underlying linear problem that is dense and of manageable size. Implementations of dense linear solvers are more mature and utilize hardware accelerators better than their sparse counterparts. There is a number of important domain problems, such as optimal power flow analysis for power grids, where the sparse problem can be effectively compressed and deploying dense linear solver within the interior point method can improve performance. Here we describe a portable implementation of HiOp optimization engine, which uses a linear solver from Magma library and runs entirely on hardware accelerators. To compress the problem, HiOp uses customized mixed dense-sparse linear algebra. All HiOp kernels are implemented using Umpire and RAJA portability libraries. We describe details of the implementation and discuss trade-offs between performance, portability and development cost.

97 MATHEMATICS AND COMPUTING↗

The International Linear Collider: A Global Project

The International Linear Collider (ILC) is now under consideration as the next global project in particle physics. In this report, we review of all aspects of the ILC program: the physics motivation, the accelerator design, the run plan, the proposed detectors, the experimental measurements on the Higgs boson, the top quark, the couplings of the W and Z bosons, and searches for new particles. We review the important role that polarized beams play in the ILC program. The first stage of the ILC is planned to be a Higgs factory at 250 GeV in the centre of mass. Energy upgrades can naturally be implemented based on the concept of a linear collider. We discuss in detail the ILC program of Higgs boson measurements and the expected precision in the determination of Higgs couplings. We compare the ILC capabilities to those of the HL-LHC and to those of other proposed e + e - Higgs factories. We emphasize throughout that the readiness of the accelerator and the estimates of ILC performance are based on detailed simulations backed by extensive RandD and, for the accelerator technology, operational experience.

43 PARTICLE ACCELERATORS↗

Optimizing HVAC Operations in Multi-unit Buildings for Grid Demand Response

The thermal inertia of buildings, along with the flexibility associated with thermostatically controlled loads (TCL) allows heating ventilation and cooling (HVAC) systems to be used for grid demand response (DR). In this work, we consider an HVAC system that serves multiple units in a residential building to meet their space heating requirements. We aim to determine the optimal power flow to each unit that minimizes the power costs incurred by the building's occupants while keeping in consideration their thermal comfort. The DR program is assumed to allow the building temperatures to deviate from the set-points up to a maximum limit. Despite the complex, non-linear structure of the problem, we show how the optimal solutions can be obtained efficiently using quadratic programming. Since HVAC systems can run on either electricity or natural gas, we study the efficacy of the DR regime for both hourly electricity prices and flat gas prices over the course of 24 hours. Finally, we run simulations to determine the optimal thermal power and the evolution of unit temperatures for various energy pricing schemes.

Naqvi, Syed A.↗