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DOE OSTI2020

Studying impacts of communication system performance on dynamic stability of networked microgrid

The development of smart grid technologies has resulted in increased interdependence between power and communication systems. Many of the operations in the existing power system rely on a stable and secured communication system. For electrically weak systems and time‐critical applications, this reliance can be even greater, where a small degradation in communication performance can degrade system stability. However, despite inter‐dependencies between power and communication systems, only a few studies have investigated the impacts of communication system performance on power system dynamics. This study investigates the dependencies of power system dynamics operations on a communication system performance. First, a detailed, dynamic networked microgrid model is developed in the GridLAB‐D simulation environment, along with a representative multi‐traffic, multi‐channel, multi‐protocol communication system model, developed in the network simulator (ns‐3). Second, a hierarchical engine for large‐scale infrastructure co‐simulation framework is developed to co‐simulate microgrid dynamics, its communication system, and a microgrid control system. The impact of communication system delays on the dynamic stability of networked microgrids is evaluated for the loss of generation using three use‐cases. While the example use‐cases examine microgrid applications and the impact to resiliency, the framework can be applied to all levels of power system operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

A group finder algorithm optimised for the study of local galaxy environments

Context. The majority of galaxy group catalogues available in the literature use the popular friends-of-friends algorithm which links galaxies using a linking length. One potential drawback to this approach is that clusters of points can be linked with thin bridges which may not be desirable. In order to study galaxy groups, it is important to obtain realistic group structures. Aim. Here, in this study, we present a new simple group finder algorithm, TD-ENCLOSER, that finds the group that encloses a target galaxy of interest. Methods. TD-ENCLOSER is based on the kernel density estimation method which treats each galaxy, represented by a zero-dimensional particle, as a two-dimensional circular Gaussian. The algorithm assigns galaxies to peaks in the density field in order of density in descending order (‘top down’) so that galaxy groups ‘grow’ around the density peaks. Outliers in under-dense regions are prevented from joining groups by a specified hard threshold, while outliers at the group edges are clipped below a soft (blurred) interior density level. Results. The group assignments are largely insensitive to all free parameter variations apart from the hard density threshold and the kernel standard deviation, although this is a known feature of density-based group finder algorithms and it operates with a computing speed that increases linearly with the size of the input sample. In preparation for a companion paper, we also present a simple algorithm to select unique representative groups when duplicates occur. Conclusions. TD-ENCLOSER is tested on a mock galaxy catalogue using a smoothing scale of 0.3 Mpc and is found to be able to recover the input group distribution with sufficient accuracy to be applied to observed galaxy distributions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Study of the GeV to TeV morphology of the γ Cygni SNR (G 78.2+2.1) with MAGIC and Fermi-LAT

Context: Diffusive shock acceleration (DSA) is the most promising mechanism that accelerates Galactic cosmic rays (CRs) in the shocks of supernova remnants (SNRs). It is based on particles scattering caused by turbulence ahead and behind the shock. The turbulence upstream is supposedly generated by the CRs, but this process is not well understood. The dominant mechanism may depend on the evolutionary state of the shock and can be studied via the CRs escaping upstream into the interstellar medium (ISM). Aims: Previous observations of the γ Cygni SNR showed a difference in morphology between GeV and TeV energies. Since this SNR has the right age and is at the evolutionary stage for a significant fraction of CRs to escape, our aim is to understand γ-ray emission in the vicinity of the γ Cygni SNR. Methods: We observed the region of the γ Cygni SNR with the MAGIC Imaging Atmospheric Cherenkov telescopes between 2015 May and 2017 September recording 87 h of good-quality data. Additionally, we analysed Fermi-LAT data to study the energy dependence of the morphology as well as the energy spectrum in the GeV to TeV range. The energy spectra and morphology were compared against theoretical predictions, which include a detailed derivation of the CR escape process and their γ-ray generation. Results: The MAGIC and Fermi-LAT data allowed us to identify three emission regions that can be associated with the SNR and that dominate at different energies. Our hadronic emission model accounts well for the morphology and energy spectrum of all source components. It constrains the time-dependence of the maximum energy of the CRs at the shock, the time-dependence of the level of turbulence, and the diffusion coefficient immediately outside the SNR shock. Further, while in agreement with the standard picture of DSA, the time-dependence of the maximum energy was found to be steeper than predicted, and the level of turbulence was found to change over the lifetime of the SNR.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

A pair of early- and late-forming galaxy cluster samples: A novel way of studying halo assembly bias assisted by a constrained simulation

The halo assembly bias, a phenomenon referring to dependencies of the large-scale bias of a dark matter halo other than its mass, is a fundamental property of the standard cosmological model. First discovered in 2005 from the Millennium Run simulation, it has been proven very difficult to be detected observationally, with only a few convincing claims of detection so far. The main obstacle lies in finding an accurate proxy of the halo formation time. In this study, by utilizing a constrained simulation that can faithfully reproduce the observed structures larger than 2 Mpc in the local universe, for a sample of 634 massive clusters at z ≤ 0.12, we found their counterpart halos in the simulation and used the mass growth history of the matched halos to estimate the formation time of the observed clusters. This allowed us to construct a pair of early- and late-forming clusters, with a similar mass as measured via weak gravitational lensing, and large-scale biases differing at the ≈3σ level, suggestive of the signature of assembly bias, which is further corroborated by the properties of cluster galaxies, including the brightest cluster galaxy and the spatial distribution and number of member galaxies. Our study paves a way to further detect assembly bias based on cluster samples constructed purely on observed quantities.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Disturbed, diffuse, or just missing? A global study of the H I content of Hickson compact groups

Hickson compact groups (HCGs) are dense configurations of four to ten galaxies, whose H I morphology appears to follow an evolutionary sequence of three phases, with gas initially confined to galaxies, then significant amounts spread throughout the intra-group medium, and finally with almost no gas remaining in the galaxies themselves. It has also been suggested that several groups may harbour a diffuse H I component that is resolved out by interferometric observations. The H I deficiency of HCGs is expected to increase as the H I morphological phase progresses along the evolutionary sequence. If this is the case, H I deficiency would be a rough proxy for the age and evolutionary state of a HCG. We aim to test this hypothesis for the first time using a large sample of HCGs and to investigate the evidence for diffuse H I in HCGs. We performed a uniform reduction of all publicly available VLA H I observations (38 HCGs) with a purpose-built pipeline that also maximises the reproducibility of this study. The resulting H I data cubes were then analysed with the latest software tools to perform a manual separation of emission features into those belonging to galaxies and those extending into the intra-group medium. We thereby classified the H I morphological phase of each group as well as quantified their H I deficiency compared to galaxies in isolation. We find little evidence that H I deficiency can be used as a proxy for the evolutionary phase of a compact group in either of the first two phases, with the distribution of H I deficiency being consistent in both. However, for the final phase, the distribution clearly shifts to high H I deficiencies, with more than 90% of the expected H I content typically missing. Across all HCGs studied, we identify a few cases where there is strong evidence for a diffuse gas component in the intra-group medium, which might be detectable with improved observations. We also classify a new sub-phase where groups contain a lone H I -bearing galaxy, but are otherwise devoid of gas. The new morphological phase we have identified is likely the result of an evolved, gas-poor group acquiring a new, gas-rich member. The large spread of H I deficiencies in the first two morphological phases suggests that there is a broad range of initial H I content in HCGs, which is perhaps influenced by large-scale environment, and that the timescale for morphological changes is, in general, considerably shorter than the timescale for the destruction or consumption of neutral gas in these systems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Studying baryon acoustic oscillations using photometric redshifts from the DESI Legacy Imaging survey DR9

Context. The Dark Energy Spectroscopic Instrument (DESI) Legacy Imaging Survey DR9 (DR9 hereafter), with its extensive dataset of galaxy locations and photometric redshifts, presents an opportunity to study baryon acoustic oscillations (BAOs) in the region covered by the ongoing spectroscopic survey with DESI. Aims. We aim to investigate differences between different parts of the DR9 footprint. Furthermore, we want to measure the BAO scale for luminous red galaxies within them. Our selected redshift range of 0.6–0.8 corresponds to the bin in which a tension between DESI Y1 and eBOSS was found. Methods. We calculated the anisotropic two-point correlation function in a modified binning scheme to detect the BAOs in DR9 data. We then used template fits based on simulations to measure the BAO scale in the imaging data. Results. Our analysis reveals the expected correlation function shape in most of the footprint areas, showing a BAO scale consistent with Planck’s observations. Aside from identified mask-related data issues in the southern region of the South Galactic Cap, we find a notable variance between the different footprints. Conclusions. We find that this variance is consistent with the difference between the DESI Y1 and eBOSS data, and it supports the argument that that tension is caused by sample variance. Additionally, we also uncovered systematic biases not previously accounted for in photometric BAO studies. We emphasize the necessity of adjusting for the systematic shift in the BAO scale associated with typical photometric redshift uncertainties to ensure accurate measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Scaling studies for deep learning in Liquid Argon Time Projection Chamber event classification

Measurements in Liquid Argon Time Projection Chamber neutrino detectors feature large, high fidelity event images. Deep learning techniques have been extremely successful in classification tasks of photographs, but their application to these event images is challenging, due to the large size of the events, more two orders of magnitude larger than images found in classical chal- lenges like MNIST or ImageNet. This leads to extremely long training cycles, which slow down the exploration of new network architectures and hyperpa- rameter scans to improve the classification performance. We present studies of scaling an LArTPC classification problem on multiple architectures, spanning multiple nodes. The studies are carried out in simulated events in the MicroBooNE detector.

Strube, Jan F.↗

DOE OSTI2023

A technique for studying (n,p) reactions of astrophysical interest using radioactive beams with SECAR

The formation of nuclei in slightly proton-rich regions of the neutrino-driven wind of core-collapse supernovae could be attributed to the neutrino-p process (νp-process). As it proceeds via a sequence of (p,γ) and (n,p) reactions, it may produce elements in the range of Ni and Sn, considering adequate conditions. Recent studies identify a number of decisive (n,p) reactions that control the efficiency of the νp-process. The study of one such (n,p) reaction via the measurement of the reverse (p,n) in inverse kinematics was performed with SECAR at NSCL/FRIB. Proton-induced reaction measurements, especially at the mass region of interest, are notably difficult since the recoils have nearly identical masses as the unreacted projectiles. Such measurements are feasible with the adequate separation level achieved with SECAR, and the in-coincidence neutron detection. Adjustments of the SECAR system for the first (p,n) reaction measurement included the development of new ion beam optics, and the installation of the neutron detection system. The aforementioned developments along with a discussion on the preliminary results of the p(58Fe,n)58Co reaction measurement are presented.

Tsintari, P↗

DOE OSTI2024

Operational Analytics Studies for ATLAS Distributed Computing: Data Popularity Forecast and Utilization of the WLCG Centers

Operational analytics is the direction of research related to the analysis of the current state of computing processes and the prediction of future states in order to anticipate imbalances and take timely measures to stabilize a complex system. There are two relevant areas in ATLAS Distributed Computing that are currently the focus of studies: user physics analysis including the forecast of popularity of data samples among users, and evaluating WLCG centers for their readiness to process user analysis payloads. Studying these areas is challenging due to the complexity involved, as it requires a comprehensive understanding of numerous boundary conditions typically found in large-scale distributed computing infrastructures. Forecasts of data popularity are problematic without the categorization of user tasks by their types (data transformation or physics analysis), which do not always appear on the surface but may induce noise, which introduces significant distortions for predictive analysis. Evaluating the WLCG resources by their analysis workloads is also a challenging task as it is necessary to find a balance between the workload of the resource, its performance, the waiting time for jobs on it, as well as the volume of jobs that it processes. This is especially difficult in a heterogeneous computing environment, where legacy resources are used along with modern high-performance machines. We will look at these areas of research in detail and discuss what tools and methods are used in our work, demonstrating results already obtained.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

I/O performance studies of analysis workloads on production and dedicated resources at CERN

The recent evolutions of the analysis frameworks and physics data formats of the LHC experiments provide the opportunity of using central analysis facilities with a strong focus on interactivity and short turnaround times, to complement the more common distributed analysis on the Grid. In order to plan for such facilities, it is essential to know in detail the performance of the combination of a given analysis framework, of a specific analysis and of the installed computing and storage resources. This contribution describes performance studies performed at CERN, using the EOS disk-based storage, either directly or through an XCache instance, from both batch resources and highperformance compute nodes which could be used to build an analysis facility. A variety of benchmarks, both synthetic and based on real-world physics analyses and their corresponding input datasets, are utilized. In particular, the RNTuple format from the ROOT project is put to the test and compared to the latest version of the TTree format, and the impact of caches is assessed. In addition, we assessed the difference in performance between the use of storage system specific protocols, like XRootd, and FUSE. The results of this study are intended to be a valuable input in the design of analysis facilities, at CERN and elsewhere.

Sciabà, Andrea↗

DOE OSTI2026

Initial electron cyclotron heating/current drive scoping study for the SMall Aspect Ratio Tokamak (SMART)

In this work an initial electron cyclotron heating/current drive (EC H&CD) scoping study is presented for the SMall Aspect Ratio Tokamak (SMART), constructed and operated by the Plasma Science and Fusion Technology (PSFT) Laboratory of the University of Seville. We consider two planned phases of operation with different magnitude of magnetic field (B 0.4, and 1 T). This EC H&CD scoping study is carried out by using the ray tracing code TRAVIS, which allows to quickly perform a series of scans on the main SMART plasma scenarios. A scan in the poloidal and toroidal launching angles is performed for the B 0.4 T plasma scenario assuming three launching locations (mid-plane, off-mid-plane, and top-launcher) and the extraordinary (X-) mode polarization. The absorption occurs at the second harmonic and, overall, the highest power absorption is obtained launching the EC beam from the top of the machine. A numerical analysis of the fundamental X-mode EC H&CD start-up regime for the B 1.0 T plasma scenario with two different wave frequencies (28 and 35 GHz) is presented showing a very high current drive efficiency.

Bertelli, Nicola [Princeton Plasma Physics Laborat↗

DOE OSTI2023

Mobility Gaps between Low-Income and Not Low-Income Households: A Case Study in New York State

Understanding the travel challenges faced by low-income residents has always been and continues to be one of the most important transportation equity topics. This study aims to explore the mobility gaps between low-income households (HHs) and not low-income HHs, and how the gaps vary within different socio-demographic population groups in New York State (NYS). The latest National Household Travel Survey data was used as the primary data source for the analysis. The study first employed the K-prototype clustering algorithm to categorize the HHs in NYS based on their socio-demographic attributes. Five population groups were identified based on nine different household (HH) features such as HH size, vehicle ownership, and elderly status of its members. Then, the mobility differences, measured by trip frequency, trip distance, travel time, and person miles traveled, were examined among the five population groups. Results suggest that the individuals in low-income HHs consistently took fewer trips and made shorter trips compared to their not low-income counterparts in NYS. The travel distance gaps were most obvious among white HHs with more vehicles than drivers. In addition, while the population from low-income HHs made shorter trips on average (2.7 mi shorter per trip), they experienced longer travel time than those from not low-income HHs (1.8 min longer per trip). These key findings provide a deeper understanding of the travel behavior disparities between low-income and not low-income households. The findings could also support policymakers and transportation planners in addressing the critical needs of residents in low-income households in NYS and provide inputs for designing a more equitable transportation system.

Liu, Yuandong↗

DOE OSTI2025

Scenario Generation for Built Environment Decision Support under Uncertainty: Case Studies of Airflow Modeling and Climate-Resilient Infrastructure System Design

When confronted with unforeseen challenges, practicing informed decision making is crucial for enhancing resilience in the built environment. While scan-to-building information modeling (BIM) is a well-established approach for creating detailed digital representations of physical assets, its application in assessing and improving infrastructure resilience remains underexplored. This study addresses this gap by proposing a novel application of scan-to-BIM, namely, scan-to-BIM-to-digital twin (S-BIM-DT) workflow. By integrating reality capture and digital twin technologies, this workflow creates continuously updated and accurate digital representations of physical assets, enabling the generation of various scenarios. Unlike traditional methods, the S BIM-DT workflow facilitates continuous model refinement, supporting informed resilience strategies. By combining these technologies into a cohesive process, the workflow facilitates decision making under uncertainty, enabling stakeholders to evaluate and respond to various scenarios effectively. We demonstrate the implementation of the S-BIM-DT workflow through two use cases that highlight its capability to enhance resilience at different scales. The first use case involves the Combined Transportation, Emergency, and Communications Center (CTECC) in Austin, Texas. BIM-enriched computational fluid dynamics (CFD) modeling simulates airflow and develops alternative scenarios for optimizing the heating, ventilation, and air conditioning (HVAC) systems. This approach enhances resilience against airborne health threats in a postCOVID context. The second use case focuses on designated areas within Beaumont, Texas, as part of the Southeast Texas Urban Integrated Field Laboratory (SETx-UIFL) research. By developing inundation maps to assess extreme weather events, this modeling aids in preparedness efforts and informs the development of climate-resilient infrastructure in vulnerable neighborhoods. Results indicate that the S-BIM-DT workflow effectively generates scenarios that enhance resilience in the built environment by facilitating informed decision making. Furthermore, this study serves as a bridge between advanced scan-to-BIM methodologies and the practical strategies needed to improve built infrastructure resilience.

Built environment↗

DOE OSTI2019

In operando studies of CO oxidation on epitaxial SrCoO 2.5+δ thin films

The high abundance and fast kinetics of select transition metal oxide catalysts are attractive features for many chemical and electrochemical device applications. However, the activity of such catalysts can be accompanied by phase instabilities that prevent their widespread usage. Furthermore, complexities associated with variations in phase behavior and oxygen stoichiometry have hindered studies on the true origins of catalytic activity. Here, we explore the interactions between activity, phase stability, and microstructure using in operando synchrotron X-ray techniques and gas chromatography/mass spectroscopy (GCMS) to probe the behavior of model SrCoO 2.5+δ (SCO) catalysts. Pulsed laser deposition was used to prepare SCO thin films on (001) SrTiO 3 , (111) SrTiO 3 , and pseudocubic (001) DyScO 3 substrates. The GCMS catalytic measurements were performed with a custom-built microreactor compatible with a synchrotron X-ray diffractometer at the Advanced Photon Source. The activity for carbon monoxide oxidation was determined as a function of temperature from 500 °C to 800 °C. We show that the SrCoO 2.5+δ films are active for CO oxidation, most likely by direct reaction with lattice oxygen; consequently, the activity was observed to increase as the films become less stable, with the most active film being the one exhibiting the lowest surface and crystal quality. All films decompose at high temperatures, with in operando diffraction indicating the gradual formation of Sr-rich hexagonal and CoO phases. We find that real-time studies of model oxide systems with synchrotron X-rays is a powerful means of gaining insight into the varied processes taking place at catalytic surfaces.

36 MATERIALS SCIENCE↗

DOE OSTI2019

How carbon vacancies can affect the properties of group IV color centers in diamond: A study of thermodynamics and kinetics

Recently, there has been much interest in using Group IV elements from the periodic table to fabricate and study XV color centers in diamond, where X=Si, Ge, Sn, or Pb and V is a carbon vacancy. These Group IV color centers have a number of interesting spin and optical properties, which could potentially make them better candidates than NV− centers for important applications in quantum computing and quantum information processing. Unfortunately, the very same ion implantation process that is required to create these XV color centers in diamond necessarily also produces many carbon vacancies (VC), which can form complexes with these color centers (VC−XV) that can dramatically affect the properties of the isolated XV color centers. The main focus of this work is to use density-functional theory to study the thermodynamics and kinetics of the formation of these VC−XV complexes and to suggest experimental ways to impede this process such as varying the Fermi level of the host diamond material through chemical doping or applying an external electrical bias. We also include a discussion of how the simple presence of many VC can negatively impact the spin coherence times (T2) of Group IV color centers through the presence of acoustic phonons.

Kuate Defo, Rodrick↗

DOE OSTI2020

Design of target irradiation and diagnostic chamber to study ps-laser generated plasma as a source of singly charged ions for external injection into an electron beam ion source

High repetition-rate (~10 kHz) ps-lasers are becoming available on the market with reasonable cost and may offer several advantages compared to ns-lasers by generating nearly continuous beams of singly charged ions appropriate for the “slow” injection mode into the Electron Beam Ion Source (EBIS). To evaluate these advantages, we will perform studies of a ps-laser generated plasma using a laser with a pulse duration of 8 ps and energy up to 5 mJ per pulse. A vacuum chamber equipped with a 3D target positioner, a focusing lens, and a Faraday Cup has been designed and built for this study. Lens-to-target distance variations have been measured using a laser tracker over the whole range of horizontal and vertical translation for all five targets we will use. The variations were found to be within ±150 µm. This level of “target flatness” should be acceptable for our experimental conditions. Ion currents and ion pulse durations of various elements (from Al to Ta) will be measured for different target irradiation conditions (focal spot size and laser pulse energy). The results obtained will allow us to specify all parameters and geometry of a laser ion source based on a ps-laser to provide external ion injection into the relativistic heavy ion collider EBIS

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Asymptotic solutions and convergence studies of the resistive inner region equations

A recent publication presents a detailed prescription for constructing global eigenfunctions and complex growth rates for resistive instabilities in axisymmetric toroidal systems, using the method of matched asymptotic expansions. At each singular surface in the plasma, the small-x asymptotic solutions of the ideal MHD outer-region equations are matched to the large-x asymptotic solutions of the resistive inner-region equations, with x being the distance from the singular surface. The success of this method depends upon accurate asymptotic solutions of the resistive inner region equations. Extensive studies have shown that there are not only regimes of excellent agreement with straight-through methods, without asymptotic matching, but also regimes of strong disagreement. As such, in an effort to find the cause of this discrepancy, we present here a different method of constructing asymptotic solutions of the inner region equations and we study the convergence properties of the new and old solutions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

The unusual symmetry of hexafluoro-o-xylene—A microwave spectroscopy and computational study

The rotational constants and quartic centrifugal distortion coefficients of hexafluoro-o-xylene were precisely derived from the 8 GHz to 18 GHz gas phase microwave spectrum. In addition, the rotational constants of all singly substituted 13 C isotopologues were determined. Instead of the intuitively expected symmetry of C 2v , as in o-xylene, calculations with a variety of methods (B3LYP, CAM-B3LYP, ωB97XD, MP2, and coupled-cluster singles, doubles, and perturbative triples) predict a C 2 symmetry structure in which the two CF 3 groups rotate in opposite directions by about 16°. While the experimental results in this study are not capable of proving this unusual symmetry, they can support future microwave, gas phase electron diffraction or nuclear magnetic resonance studies. From the presented data, a preliminary r 0 structure was determined, reproducing the experimental rotational constants with deviations of no more than 15 kHz. Analysis of the interactions between the two CF 3 groups using an effective fragment potential approach identifies two major contributions to their interaction, due to exchange-repulsion and electrostatic repulsion, with electrostatic repulsion responsible for the barrier at the C 2v geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗