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DOE OSTI2017

Performance Guaranteed Inertia Emulation forDiesel-Wind System Feed Microgrid via ModelReference Control

In this paper, a model reference control based inertia emulation strategy is proposed. Desired inertia can be precisely emulated through this control strategy so that guaranteed performance is ensured. A typical frequency response model with parametrical inertia is set to be the reference model. A measurement at a specific location delivers the information of disturbance acting on the diesel-wind system to the referencemodel. The objective is for the speed of the diesel-wind system to track the reference model. Since active power variation is dominantly governed by mechanical dynamics and modes, only mechanical dynamics and states, i.e., a swing-engine-governor system plus a reduced-order wind turbine generator, are involved in the feedback control design. The controller is implemented in a three-phase diesel-wind system feed microgrid. The results show exact synthetic inertia is emulated, leading to guaranteed performance and safety bounds.

Melin, Alexander M.↗

DOE OSTI2015

Complik: A versatile tool for automatizing the representation of material data in MCNP models - 14412

At the Paul Scherrer Institut, the CASMO/SIMULATE code system is used as reference scheme for core analyses of the Swiss reactors. Besides, Monte Carlo (MC) based neutron transport codes are in parallel being established both for out-of-core applications and full core analyses, in order to provide higher fidelity solutions to problems beyond the modelling capabilities of the standard core modelling methods. In this perspective, a necessity is to be able to conduct the MC calculations at any operating conditions, requiring thus proper initialisation of the thermal-hydraulic feedback as well as at any burnup, prompting the need for a detailed modelling of all material zones in the irradiated fuel assemblies. To tackle the later challenge, the development of the COMPLINK tool, aimed at initialising large-scale MC models of burned core configurations, using as basis upstream 2-D assembly/ 3-D core analyses results, was initiated and is presented in this paper. A main feature is the capability to extend in an automatic manner, a user given MC model in order to represent material data with a higher resolution, keeping track of the location of such materials also within nested repeated structures. This capability prevents the user from the burden of developing specific computational framework for a target application. Since the same functionalities are required to analyse out-of-core spent fuel managements systems, a first verification of COMPLINK is illustrated on the basis of a criticality safety evaluation (CSE) with MCNP6.1 of a Swiss PWR wet storage pool loaded with fresh and burned fuel assemblies. Starting from CASMO-5 depletion calculations at each axial layer of the depleted fuel assemblies and reconstructed based on realistic irradiation histories, COMPLINK is then applied to load the isotopic compositions into the material zones of the corresponding MCNP6.1 assembly models. On this basis, the CSE analyses are conducted with focus on investigating axial and radial modelling effects. All in all, the obtained results are found to be well in line with the impact on CSE expected at the considered burnup levels, providing thus confidence in the correct implementation of the COMPLINK functionalities and confirming its effectiveness as well as efficiency for the initialization of all material zones in large-scale MC models of complex and strongly heterogeneous burned configurations. (authors)

42 ENGINEERING↗

DOE OSTI2012

Using Xrootd to federate regional storage

While the LHC data movement systems have demonstrated the ability to move data at the necessary throughput, we have identified two weaknesses: the latency for physicists to access data and the complexity of the tools involved. To address these, both ATLAS and CMS have begun to federate regional storage systems using Xrootd. Xrootd, referring to a protocol and implementation, allows us to provide data access to all disk-resident data from a single virtual endpoint. This redirector discovers the actual location of the data and redirects the client to the appropriate site. The approach is particularly advantageous since typically the redirection requires much less than 500 milliseconds and the Xrootd client is conveniently built into LHC physicists analysis tools. Currently, there are three regional storage federations - a US ATLAS region, a European CMS region, and a US CMS region. The US ATLAS and US CMS regions include their respective Tier 1, Tier 2 and some Tier 3 facilities, a large percentage of experimental data is available via the federation. Additionally, US ATLAS has begun studying low-latency regional federations of close-by sites. From the base idea of federating storage behind an endpoint, the implementations and use cases diverge. The CMS software framework is capable of efficiently processing data over high-latency links, so using the remote site directly is comparable to accessing local data. The ATLAS processing model allows a broad spectrum of user applications with varying degrees of performance with regard to latency, a particular focus has been optimizing n-tuple analysis. Both VOs use GSI security. ATLAS has developed a mapping of VOMS roles to specific file system authorizations, while CMS has developed callouts to the site's mapping service. Each federation presents a global namespace to users. For ATLAS, the global-to-local mapping is based on a heuristic-based lookup from the site's local file catalog, while CMS does the mapping based on translations given in a configuration file. We will also cover the latest usage statistics and interesting use cases that have developed over the previous 18 months.

Bauerdick, L.↗

DOE OSTI2020

Formulation of Three-Phase State Estimation Problem Using a Virtual Reference

State Estimation (SE) is the backbone of modern Energy Management System (EMS) due its capability of processing real time measurements and provide reliable information to system operators. Since its introduction to power systems in the 70’s, SE has been widely used in transmission networks. Distribution grids on the other hand lack sufficient number of real time measurements, and for that reason SE has not been widely implemented on these systems. The recent increase in the number of renewable energy sources connected to the grid at lower voltage levels, the advent of Distribution Automation (DA) and Smart Grids necessitate closer monitoring of distribution networks and thus forcing utilities to upgrade their operations and deploy Advanced Distribution Management Sytems (ADMS). Therefore, Distribution System State Estimation (DSE) is paramount to provide real time monitoring of active distribution grids. This papers investigates the formulation of the three-phase distribution state estimation where in the most general case, none of the system buses may have balanced three phase voltages. In such a case, the choice and definition of the slack bus need to be revisited. Most of the existing work arbitrarily assign the root bus of the distribution feeder as the balanced three-phase reference which may not be realistic for today’s active distribution systems. This paper addresses this shortcoming of the existing SE formulations by introducing a virtual reference bus. Here, the proposed approach is effectively validated by simulations carried out on distribution test systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Development of a position–velocity–time-modulated two-dimensional ion beam figuring system for synchrotron x-ray mirror fabrication

With the rapid evolution of synchrotron x-ray sources, the demand for high-quality precision x-ray mirrors has greatly increased. Single nanometer shape accuracy is required to keep imaging capabilities at the diffraction limit. Ion beam figuring (IBF) has been used frequently for ultra-precision finishing of mirrors, but achieving the ultimate accuracy depends on three important points: careful alignment, accurate dwell time calculation and implementation, and accurate optical metrology. The Optical Metrology Group at National Synchrotron Light Source II has designed and built a position–velocity–time-modulated two-dimensional IBF system (PVT-IBF) with three novel characteristics: (1) a beam footprint on the mirror was used as a reference to align the coordinate systems between the metrology and the IBF hardware; (2) the robust iterative Fourier transform-based dwell time algorithm proposed by our group was applied to obtain an accurate dwell time map; and (3) the dwell time was then transformed to velocities and implemented with the PVT motion scheme. In this study, the technical aspects of the PVT-IBF systems are described in detail, followed by an experimental demonstration of the figuring results. In our first experiment, the 2D RMS in a 50mm×5mm clear aperture was reduced from 3.4 to 1.1 nm after one IBF run. In our second experiment, due to a 5 mm pinhole installed in front of the source, the 2D RMS in a 50mm×5mm clear aperture was reduced from 39.1 to 1.9 nm after three IBF runs, demonstrating that our PVT-IBF solution is an effective and deterministic figuring process.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

A Functional Reference Architecture and Assessment Thereof for the National Ignition Facility Industrial Controls Systems

The Industrial Control System (ICS) at the National Ignition Facility (NIF) has an effective, well-established architecture based off a conventional cyclical software paradigm focused on maintainability and the identification of issues. This architecture exhibits scalability in ensuring expansions of the system conform to the existing architecture, modularity enough to allow relatively easy integrations of such expansions and works as a successful tool to introduce control system engineers new to the NIF ICS to the structure of the system at each layer. This architecture, like most software architectures, is object-oriented, lending itself to ease of understanding by control systems engineers and software engineers familiar with an object-oriented perspective. There are occasions, however, where engineers of other disciplines require insight into the functionality and structure of the ICS for the purposes of understanding fundamentally how their own system is or will be governed by the ICS, without the need for the details of operation of the ICS or the object-oriented view. For this reason, a functional architecture of the ICS could be a potent tool for communicating this insight. Even more powerful, a generalization of this proposed functional ICS architecture in the form of a National Ignition Facility and Photon Science (NIF & PS) Industrial Controls Reference Architecture could communicate this insight not just to systems governed by the ICS in the NIF proper, but across entirety of the NIF & PS Principal Associate Directorate (PAD), anywhere an instance of the ICS architecture is present, such as the approximately 40 “small labs” distributed across the directorate. Such a tool will provide an alternative means of understanding the implementation of these control systems, conducive to a larger variety of engineering and scientific disciplines.

42 ENGINEERING↗

DOE OSTI2023

Microwave radiometer, sun-photometer and GNSS multi-comparison of integrated water vapor in Southwestern Europe

This work presents a comparison of integrated water vapor (IWV) data recorded from microwave radiometer (MWR) and sun-photometer (SP) using global navigation satellite system (GNSS) IWV as reference in five mid-latitude sites of Portugal and Spain (2003–2021). A very high correlation is obtained for both instruments (R2 between 0.94 and 0.98), although, while MWR shows a wet bias, SP exhibits a dry one. In addition, a dependence of mean bias error (MBE) and standard deviation (SD) on IWV has been observed, increasing (larger discrepancies) both indices as IWV increases. The solar zenith angle (SZA) dependence is also studied, finding slightly larger discrepancies for the MWR than for SP in comparison with GNSS for very high values of SZA. Finally, a marked seasonal dependence is observed for SP-GNSS differences, modulated by the IWV dependence explained above. In contrast, the seasonal dependence for MWR is quite weaker than it is for SP. Therefore, in spite of the excellent agreement found among the different instruments, it is recommended that: i) the dependence with IWV be studied and corrected to further increase the performance of the instruments, and ii) metadata be used to filter out situations in which the instrument cannot operate properly.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Designing Pay-As-You-Throw schemes in municipal waste management services: A holistic approach

Highlights: • Pay-As-You-Throw (PAYT) schemes are becoming widespread in several countries. • Economic, organizational and technological issues have to be integrated in an efficient PAYT model design. • Efficiency refers to a PAYT system which support high citizen participation rates as well as economic sustainability. • Different steps and constraints have to be evaluated from collection services to type technologies. • An holistic approach is discussed to support PAYT systems diffusion. - Abstract: Pay-As-You-Throw (PAYT) strategies are becoming widely applied in solid waste management systems; the main purpose is to support a more sustainable – from economic, environmental and social points of view – management of waste flows. Adopting PAYT charging models increases the complexity level of the waste management service as new organizational issues have to be evaluated compared to flat charging models. In addition, innovative technological solutions could also be adopted to increase the overall efficiency of the service. Unit pricing, user identification and waste measurement represent the three most important processes to be defined in a PAYT system. The paper proposes a holistic framework to support an effective design and management process. The framework defines most critical processes and effective organizational and technological solutions for supporting waste managers as well as researchers.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Predicting and understanding the chemical bond is one of the major challenges of computational quantum chemistry. Kohn–Sham density functional theory (KS-DFT) is the most common method, but approximate density functionals may not be able to describe systems where multiple electronic configurations are equally important. Multiconfigurational wave functions, on the other hand, can provide a detailed understanding of the electronic structures and chemical bonds of such systems. In the complete active space self-consistent field (CASSCF) method, one performs a full configuration interaction calculation in an active space consisting of active electrons and active orbitals. However, CASSCF and its variants require the selection of these active spaces. This choice is not black box; it requires significant experience and testing by the user, and thus active space methods are not considered particularly user-friendly and are employed only by a minority of quantum chemists. Our goal is to popularize these methods by making it easier to make good active space choices. Here, we present a machine learning protocol that performs an automated selection of active spaces for chemical bond dissociation calculations of main group diatomic molecules. The protocol shows high prediction performance for a given target system as long as a properly correlated system is chosen for training. Good active spaces are correctly predicted with a considerably better success rate than random guess (larger than 80% precision for most systems studied). Our automated machine learning protocol shows that a “black-box” mode is possible for facilitating and accelerating the large-scale calculations on multireference systems where single-reference methods such as KS-DFT cannot be applied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

When Photoelectrons Meet Gas Molecules: Determining the Role of Inelastic Scattering in Ambient Pressure X-ray Photoelectron Spectroscopy

Inelastic photoelectron scattering (IPES) by gas molecules, a critical phenomenon observed in ambient pressure X-ray photoelectron spectroscopy (APXPS), complicates spectral interpretation due to kinetic energy loss in the primary spectrum and the appearance of additional features at higher binding energies. In this study, we systematically investigate IPES in various gas environments using APXPS, providing detailed insights into interactions between photoelectrons emitted from solid surfaces and surrounding gas molecules. Corelevel XPS spectra of Au, Ag, Zn, and Cu metals were recorded over a wide kinetic energy range in the presence of CO 2 , N 2 , Ar, and H 2 gases, demonstrating the universal nature of IPES across different systems. Additionally, we analyzed spectra of scattering effects induced by gas-phase interactions without metal solids. In two reported CO 2 -reduction systems (p-GaN/ Au/Cu and p-Si/TaO x /Cu), we elucidated that IPES is independent of the composition, structure, or size of the solid materials. Using metal foil platforms, we further developed an analytical model to extract electron excitation cross sections of gas molecules. These findings enhance our understanding of IPES mechanisms and enable the predictions of IPES structures in other solid–gas systems, providing a valuable reference for future APXPS studies and improving the accuracy of spectral analysis in gas-rich catalytic interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Assembly and commissioning of a new SRF cryomodule for the ATLAS intensity upgrade

The Argonne National Laboratory Physics Division is in the final stages of a major upgrade to the Argonne Tandem Linear Accelerator System national user facility, referred to as the intensity upgrade. The intensity upgrade project will substantially increase beam currents for experimenters working with the existing ATLAS stable and in-flight rare isotope beams and for the neutron-rich beams from the Californium Rare Isotope Breeder Upgrade. This project includes the replacement of three existing cryomodules, containing 18 superconducting accelerator cavities and 9 superconducting solenoids, with a single cryomodule with seven SC 72.75 MHz accelerator cavities optimized for ion velocities of 7.7% the speed of light and 4 SC solenoids all operating at 4.5 K. This presentation will report: how we minimized the heat load into the 4 K and 80 K coolant streams feeding the cryomodule, a comparison of the calculated and measured static heat loads at 80 K and the mechanical design of the vacuum vessel.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

Improved density profile measurements in the C-2U advanced beam-driven Field-Reversed Configuration (FRC) plasmas

In the prior C-2 experiment, electron density was measured using a two-color 6-chord CO{sub 2}/HeNe interferometer. Analysis shows that high-frequency common mode phase noise can be reduced by a factor of 3 by constructing a reference chord. In the system upgrade from C-2 to C-2U a 4-chord far-infrared laser interferometer was developed, which demonstrated superior sensitivity (1 × 10{sup 16} m{sup −2} at >1 MHz bandwidth) and solved the under spatial sampling issue of the C-2 interferometer system. Improved density-profile measurement results are presented in this paper, including evidence of fast-ion modified density profile and stabilization of the n = 1 plasma wobble mode.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Prediction of correlation energies using variational subspace valence bond

In the variational subspace valence bond (VSVB) [G. D. Fletcher, J. Chem. Phys. 142, 134112 (2015)] method, the electronic orbitals comprising the wave function correspond to chemically meaningful objects, such as bonds, lone pairs, atomic cores, and so on. Selected regions of a molecule (for example, a single chemical bond, as opposed to all the bonds) can be modeled with different levels of basis set and possible methods for modeling correlation from the other regions. The interactions between the components of a molecule (say, a bond and a neighboring orbital) can then be studied in detail for their impact on a chemical phenomenon while avoiding the expense of necessarily applying the higher levels and methods to the entire molecule. Here, this work presents the theoretical basis for modeling correlation effects between specific electron pairs by incorporating terms in the inter-electronic coordinates (“r 12 ”) into VSVB. The approach is validated with calculations on small systems using single-reference wave functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

THE ORBITAL PERIOD OF SCORPIUS X-1

The orbital period of Sco X-1 was first identified by Gottlieb et al. While this has been confirmed on multiple occasions, this work, based on nearly a century of photographic data, has remained the reference in defining the system ephemeris ever since. It was, however, called into question when Vanderlinde et al. claimed to find the one-year alias of the historical period in RXTE/All-Sky Monitor data and suggested that this was the true period rather than that of Gottlieb et al. We examine data from the All Sky Automated Survey (ASAS) spanning 2001-2009. We confirm that the period of Gottlieb et al. is in fact the correct one, at least in the optical, with the one-year alias strongly rejected by these data. We also provide a modern time of minimum light based on the ASAS data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

ULTRAVIOLET SPECTROSCOPY OF PQ Gem AND V405 Aur FROM THE HST AND IUE SATELLITES

Ultraviolet spectra of two intermediate polars (IPs), PQ Gem and V405 Aur, observed with Hubble Space Telescope (HST) Space Telescope Imaging Spectrograph and Faint Object Spectrograph and International Ultraviolet Explorer (IUE) satellites were analyzed during the period between 1994–2000. We estimated the reddening of the two systems from the 2200 Å feature. Six spectra of the two systems revealing modulations of line fluxes at different times are presented. PQ Gem and V405 Aur are featured by spectral lines in different ionization states. This paper focuses on the third ionized carbon emission line at 1550 Å and the first ionized helium emission line at 1640 Å produced in the optically thin outer region of the accretion curtain for the two systems by calculating spectral line fluxes. From HST and IUE data, we deduced ultraviolet luminosities and ultraviolet accretion rates for the two binary stars. The average temperature of the accretion streams for PQ Gem and V405 Aur are ∼4500 K and 4100 K, respectively. The results reveal that there are modulations in fluxes of spectral lines, ultraviolet luminosities, and ultraviolet accretion rates with time for both systems. These modulations are referred to the changes of both density and temperature as a result of the variations of mass transfer rate from the secondary star to the primary star. The current results are consistent with an accretion curtain model for IPs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Angle Droop Design for Grid-Forming Inverters Considering Impacts of Virtual Impedance Control

Grid-forming inverters (GFMs) based on active power-frequency droop control and reactive power-voltage droop control have been developed in recent years, which can generate voltage and frequency references for islanded power systems or microgrids to improve system-wide synchronization and power-sharing capability. It is known that the control delays in GFMs may cause system harmonic instability. To eliminate this issue, virtual impedance techniques are normally adopted. This paper gives a comprehensive examination of the impacts of virtual impedance control block Z v in GFMs on system stability. It is revealed that although Z v is effective in eliminating system harmonic stability, it may ruin system synchronization stability as a side effect. To compensate for the negative impacts caused by Z v , an active power-angle control block is added into the conventional droop control. Design criteria are also proposed accordingly to ensure system stability over the entire frequency range. Simulations and experimental testing are conducted to validate the analysis and the proposed design guidelines. It can be concluded that the Z v control-caused grid-synchronization instability issues can be eliminated with an appropriate active power-angle droop design.

Kong, Le↗

DOE OSTI2016

A Novel Method for Phasor Measurement Unit Sampling Time Error Compensation

This paper focuses on a novel method for successive approximation register analog to digital converter control in synchronized phasor measurement units (PMUs). To compensate for the sampling time error caused by the division remainder between the desirable sampling rate and the oscillator frequency, a variable sampling interval control method is presented by interlacing two integers under a proposed criterion. The frequency of the onboard oscillator is monitored in real-time using the pulse per second (PPS) timing reference from global positioning system. The sampling control is adaptively adjusted each second according to the latest estimated oscillator frequency. The “saw tooth” in phasor angle error and DC offset and spikes in frequency error can be effectively eliminated by applying the proposed method. The simulation and experiment results validate the effectiveness and accuracy of the proposed method, which is believed to be able to greatly improve the performance of PPS-disciplined synchronous sampling methods in PMUs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2014

SU-E-T-254: Optimization of GATE and PHITS Monte Carlo Code Parameters for Uniform Scanning Proton Beam Based On Simulation with FLUKA General-Purpose Code

Purpose: Monte Carlo codes are becoming important tools for proton beam dosimetry. However, the relationships between the customizing parameters and percentage depth dose (PDD) of GATE and PHITS codes have not been reported which are studied for PDD and proton range compared to the FLUKA code and the experimental data. Methods: The beam delivery system of the Indiana University Health Proton Therapy Center was modeled for the uniform scanning beam in FLUKA and transferred identically into GATE and PHITS. This computational model was built from the blue print and validated with the commissioning data. Three parameters evaluated are the maximum step size, cut off energy and physical and transport model. The dependence of the PDDs on the customizing parameters was compared with the published results of previous studies. Results: The optimal parameters for the simulation of the whole beam delivery system were defined by referring to the calculation results obtained with each parameter. Although the PDDs from FLUKA and the experimental data show a good agreement, those of GATE and PHITS obtained with our optimal parameters show a minor discrepancy. The measured proton range R90 was 269.37 mm, compared to the calculated range of 269.63 mm, 268.96 mm, and 270.85 mm with FLUKA, GATE and PHITS, respectively. Conclusion: We evaluated the dependence of the results for PDDs obtained with GATE and PHITS Monte Carlo generalpurpose codes on the customizing parameters by using the whole computational model of the treatment nozzle. The optimal parameters for the simulation were then defined by referring to the calculation results. The physical model, particle transport mechanics and the different geometrybased descriptions need accurate customization in three simulation codes to agree with experimental data for artifact-free Monte Carlo simulation. This study was supported by Grants-in Aid for Cancer Research (H22-3rd Term Cancer Control-General-043) from the Ministry of Health, Labor and Welfare of Japan, Grants-in-Aid for Scientific Research (No. 23791419), and JSPS Core-to-Core program (No. 23003). The authors have no conflict of interest.

60 APPLIED LIFE SCIENCES↗