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At least 757 records · Page 42

Electroproduction of the neutral pion off 4He

Deeply virtual exclusive processes offer a unique opportunity to study the internal structure of the nucleon and nuclei. The goal of this work is to extract the beam-spin asymmetry in deeply virtual coherent neutral pion electroproduction, e^4He to e'^4He'pi^0, using the CLAS detector in the experimental Hall B at Thomas Jefferson National Accelerator Facility. The data were collected in 2009 with a 6 GeV longitudinally polarized electron beam impinging on a 30 cm long, 6 atm Helium-4 gaseous target. In order to ensure that the process is coherent, a new Radial Time Projection Chamber was used to detect and identify low energy recoil a-particles. The Beam Spin Asymmetry in the coherent deep exclusive regime was measured at Q^2 = 1.50 GeV^2, xB = 0.18 and -t = 0.14 GeV^2. The measured asymmetry has an amplitude of 10%+/-5% and has the opposite sign compared the asymmetry measured for pi^0 production on the proton.

Torayev, Bayram↗

Deciphering a removed text on a 16th c. centrepiece: The benefits of using AGLAEMap and AXSIA to process PIXE maps.

In the field of archaeometry, it is not uncommon to be presented with art objects that contain inscriptions, signatures and other writings that are nearly impossible to read. Scanned microbeam PIXE offers an attractive approach to attack this problem, but even then the distribution of characteristic X-rays of the element(s) used in these writings can remain illegible. We show in this paper that two methods were used to reveal the inscription: first the use of a GUPIXWin, TRAUPIXE and AGLAEMap software suite enables to make quantitative analysis of each pixel, to visualize the results and to select X-ray peaks that could enable to distinguish letters. Then, the Automated eXpert Spectral Image Analysis (AXSIA) program developed at Sandia, which analyzes the x-ray intensity vs. Energy and (X, Y) position “datacubes”, was used to factor the datacube into 1) principle component spectral shapes and 2) the weighting images of these components. The specimen selected for this study was a silver plaque representing a scroll from the so-called “MerkelscheTafelaufsatz,” a centrepiece made by the Nuremberg goldsmith Wenzel Jamnitzer in 1549. X-ray radiography of the plaque shows lines of different silver thicknesses, meaning that a text has been removed. The PIXE analysis used a 3-MeV proton beam focused to 50μm and scanned across the sample on different areas of interest of several cm². This analysis showed major elements of Cu and Ag, and minor elements such as Pb, Au, Hg. X-ray intensity maps were then made by setting windows on the various x-ray peaks but the writing on the centrepiece was not revealed even if the map of Cu after data treatment at AGLAE enabled to distinguish some letters. The AXSIA program enabled to factor two main spectral shapes from the datacube that were quite similar and involved virtually all of the X-rays being generated. Nevertheless, small differences between these factors were observed for the Cu K X-rays, Pb, Bi and Au L X-rays. The plot of the factor with the highest Au signal gave also information on the shape of some letters. The comparison of the results obtained by the two methods shows that they both drastically improve the resolution and contrast of such writings and that each of the method can also bring different information on the composition and thus the techniques used for the writing.

AGLAEMap↗

Digital Engineering Ecosystem for Innovative Nuclear Technologies

The construction, aerospace, and automotive industries have achieved considerable cost and schedule savings by utilizing virtual design. This program will develop a connected ecosystem of tools to support the design of innovative nuclear technologies. This ecosystem will develop a formal representation of information (data ontology) and systems software to facilitate digital engineering.

42 ENGINEERING↗

Nextracker bifacial webinar in partnership with PV Evolution Labs

This presentation for a Nextracker-sponsored virtual symposium and webinar series leveraged PVEL's DOE-funded outdoor bifacial field study to explain potential for bifacial gain in dual-axis tracker mounting configurations. Data from PVEL's study also informed the modeling findings presented by Nextracker.

Meydbray, Jenya↗

The 2021 Annual CSEWG Meeting at Nuclear Data Week(s)

From November 15-19, 2021, CSEWG held its annual meeting during Brookhaven National Laboratory’s Nuclear Data Week(s)1. The combined event was held via zoom (due to COVID travel restrictions) and there were 175 registered attendees. This was CSEWG’s 3rd fully virtual meeting and, by all accounts, it was a success. The timetable and talks are available at https://indico.bnl.gov/event/13121/overview for registered participants. This meeting began with the welcoming of the new ENDF Library Manager, Gustavo Nobre, the announcement that ENDF/B-VIII.1’s release will be delayed until February 2024 due to COVID induced delays, and the adoption of a draft Code of Conduct. This last point is notable since CSEWG is known for its lively physics and engineering discussions. However, as professionals, we must endeavor to keep our discussions civil, collegial, and inclusive.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Direct observation of 3D topological spin textures and their interactions using soft x-ray vector ptychography

Magnetic topological defects are energetically stable spin configurations characterized by symmetry breaking. Vortices and skyrmions are two well-known examples of 2D spin textures that have been actively studied for both fundamental interest and practical applications. However, experimental evidence of the 3D spin textures has been largely indirect or qualitative to date, due to the difficulty of quantitively characterizing them within nanoscale volumes. Here, we develop soft x-ray vector ptychography to quantitatively image the 3D magnetization vector field in a frustrated superlattice with 10 nm spatial resolution. By applying homotopy theory to the experimental data, we quantify the topological charge of hedgehogs and anti-hedgehogs as emergent magnetic monopoles and probe their interactions inside the frustrated superlattice. We also directly observe virtual hedgehogs and anti-hedgehogs created by magnetically inert voids. We expect that this new quantitative imaging method will open the door to study 3D topological spin textures in a broad class of magnetic materials. Our work also demonstrates that magnetically frustrated superlattices could be used as a new platform to investigate hedgehog interactions and dynamics and to exploit optimized geometries for information storage and transport applications.

Rana, A↗

Analyzing reliability of virtual machine instances with dynamic pricing in the public cloud

This study presents reliability analysis of virtual machine instances in public cloud environments in the face of dynamic pricing. Different from traditional fixed pricing, dynamic pricing allows price to dynamically fluctuate over arbitrary period of time according to external factors such as supply and demand, excess capacity, etc. This pricing option introduces a new type of fault: virtual machine instances may be unexpectedly terminated due to conflicts in the original bid price and the current offered price. This new class of fault under dynamic pricing may be more dominant than traditional faults in cloud computing environments, where resource availability associated with traditional faults is often above 99.9%. To address and understand this new type of fault, we translated two classic reliability metrics, mean time between failures and availability, to the Amazon Web Services spot market using historical price data. We also validated our findings by submitting actual bids in the spot market. We found that overall, our historical analysis and experimental validation lined up well. Based upon these experimental results, we also provided suggestions and techniques to maximize overall reliability of virtual machine instances under dynamic pricing.

Cloud computing↗

Measurement of differential t-channel single top (anti)quark production cross-sections at 13 TeV with the ATLAS detector

The production of single top quarks and top antiquarks via the t-channel exchange of a virtual W boson is measured in proton-proton collisions at a centre-of-mass energy of 13 TeV at the Large Hadron Collider. The full Run 2 data sample recorded with the ATLAS detector in the years 2015–2018 is used, corresponding to an integrated luminosity of 140 fb−1. The absolute and normalised production cross-sections are measured differentially as a function of the transverse momentum and absolute rapidity of the top quark and top antiquark. In addition, the ratio of top quark to top antiquark production cross-sections is measured. The measured distributions are compared with next-to-leading-order quantum chromodynamics predictions obtained with different combinations of matrix-element generators, parton-shower programs and proton parton distribution functions, as well as to next-to-next-to-leading-order calculations. Overall, good agreement is observed between the measurements and the theoretical predictions. For most measured distributions, the sensitivity to differences between the predictions is limited by the systematic uncertainties in the measurement. The measured differential distributions are also interpreted in an effective field theory approach to constrain the Wilson-Coefficient CQq3,1$$ {C}_{Qq}^{3,1} $$ associated with a four-quark operator. The interpretation accounts for the effect of the selection efficiency, which is altered significantly by non-zero contributions from CQq3,1$$ {C}_{Qq}^{3,1} $$.

Aad, G↗

Orientational Dependence of Cofacial Porphyrin–Quinone Electronic Interactions within the Strong Coupling Regime

We examine the relative magnitudes of electronic coupling HDA in two face-to-face rigid and diastereomeric (porphinato)zinc(II)–quinone (PZn–Q) as-semblies, 1β-ZnA and 1β-ZnB, in which the six quinonyl carbon atoms lie in virtually identical arrangements relative to the PZn plane at sub-van der Waals donor–acceptor (D–A) interplanar separations. Steady-state and time-resolved transient optical data and computational studies show that minor differences in relative D–A cofacial orientation give rise to disparate H DA magnitudes for both photoinduced charge separation (CS) and thermal charge recombination (CR). Here, time-dependent density functional theory (TDDFT) computations illuminate the nature of direct charge transfer states and the electronic structural factors that give rise to these differential H DA s. These data show more extensive mixing of locally excited (LE) and CS states in 1β-ZnA relative to 1β-ZnB and that these H DA differences track the magnitudes of electronic coupling matrix elements determined from steady-state electronic spectral data and thermal CR rate constants measured via pump–probe spectroscopy. Collectively, this work shows that electron transfer dynamics may be manipulated in cofacial D–A systems, even at sub-van der Waals contact, provided that conformational rigidity precludes structural fluctuations that modulate D–A interactions on the charge transfer time scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tagged deep inelastic scattering measurement on deuterium with the LAD experiment

Here, the origin of the modification of the quark structure of nucleons in the nuclear medium can be tested with tagged recoil nucleon measurements from deep inelastic scattering off electrons on deuterium. The LAD experiment at the Thomas Jefferson National Laboratory (JLab) will measure the modification of the neutron structure function for high-momentum, highly-virtual neutrons by measuring the spectator recoil protons in coincidence with the scattered electron. An update on the experimental setup and projected results is presented. The experiment will collect data in Fall 2024.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Emergent Concepts from a Community Ideation on AI4ESP

This AI4ESP white paper is the outcome of an open ideation session led by PNNL that numerous institutions participated in. The leadership team included Amy Goldman, Huiying Ren, Tim Scheibe, and James Stegen. The white paper is broken into two sections: (1) A summary of the ideation session, and (2) a short summary of a ‘meta idea’ that emerged from combining multiple ideas spanning the three primary focal area themes articulated in BER’s AI4ESP guidance: A - Data Acquisition and Assimilation, B - Predictive Modeling, and C - Insight from Complex Data. The white paper, therefore, has two goals. The first section is meant to be a resource for innovating around how to pursue open, community-based ideation in virtual environments. The second section is meant as an example of the kinds of ‘meta ideas’ that can emerge from bringing diverse ideas together in a single shared space. We consider the second section to be a submission to BER’s request for white papers around AI4ESP.

54 ENVIRONMENTAL SCIENCES↗

Assessing the accuracy of microwave radiometers and radio acoustic sounding systems for wind energy applications

To assess current remote-sensing capabilities for wind energy applications, a remote-sensing system evaluation study, called XPIA (eXperimental Planetary boundary layer Instrument Assessment), was held in the spring of 2015 at NOAA's Boulder Atmospheric Observatory (BAO) facility. Several remote-sensing platforms were evaluated to determine their suitability for the verification and validation processes used to test the accuracy of numerical weather prediction models. The evaluation of these platforms was performed with respect to well-defined reference systems: the BAO's 300 m tower equipped at six levels (50, 100, 150, 200, 250, and 300 m) with 12 sonic anemometers and six temperature ( T ) and relative humidity (RH) sensors; and approximately 60 radiosonde launches. In this study we first employ these reference measurements to validate temperature profiles retrieved by two co-located microwave radiometers (MWRs) as well as virtual temperature ( T v ) measured by co-located wind profiling radars equipped with radio acoustic sounding systems (RASSs). Results indicate a mean absolute error (MAE) in the temperature retrieved by the microwave radiometers below 1.5 K in the lowest 5?km of the atmosphere and a mean absolute error in the virtual temperature measured by the radio acoustic sounding systems below 0.8 K in the layer of the atmosphere covered by these measurements (up to approximately 1.6-2 km). We also investigated the benefit of the vertical velocity correction applied to the speed of sound before computing the virtual temperature by the radio acoustic sounding systems. We find that using this correction frequently increases the RASS error, and that it should not be routinely applied to all data. Water vapor density (WVD) profiles measured by the MWRs were also compared with similar measurements from the soundings, showing the capability of MWRs to follow the vertical profile measured by the sounding and finding a mean absolute error below 0.5 g m -3 in the lowest 5 km of the atmosphere. However, the relative humidity profiles measured by the microwave radiometer lack the high-resolution details available from radiosonde profiles. Furthermore, an encouraging and significant finding of this study was that the coefficient of determination between the lapse rate measured by the microwave radiometer and the tower measurements over the tower levels between 50 and 300 m ranged from 0.76 to 0.91, proving that these remote-sensing instruments can provide accurate information on atmospheric stability conditions in the lower boundary layer.

17 WIND ENERGY↗

Knowledge management information tool Web analytics - 15182

The Knowledge Management Information Tool (KM-IT) is a web-based [01] system developed to maintain and preserve the Department of Energy's (DOE's) D and D knowledge base. The system was developed by Florida International University's Applied Research Center (FIU-ARC) with the support of the D and D community including the DOE Office of Environmental Management, and with the active collaboration and support of the DOE's Energy Facility Contractors Group (EFCOG). The KM-IT system is a D and D community driven system tailored to serve the technical issues faced by the D and D workforce across the DOE Complex. The D and D KM-IT is an interactive web-based system operational and available for free access at www.dndkm.org. [02] The D and D KM-IT is currently composed of the following tailored D and D modules: Web Crawler, Hotline, Technology, Document Library (including Hanford's and Savannah River Sites' ALARA Center Reports), Specialist Directory, Lessons Learned, Best Practices, Video/Picture Library, Vendors, Collaboration Tools, Training, and Mobile Systems. The Web Crawler dynamically searches through the D and D KM-IT repository as well as the web and displays search results based on the search criteria. The Hotline allows registered users to post questions/problems related to D and D and to receive solutions from a subject-matter specialist. The Technology module serves as repository of D and D technologies and contains technology/ demonstration fact sheets and vendor information. D and D community members can add Lessons Learned, Best Practices, Documents, and Pictures/Videos to the D and D KM-IT repository, after a formal approval process. The Vendor module provides a directory of commercial vendors who provide D and D related technologies, supplies, and services. D and D KM-IT makes excellent use of the knowledge that exists within the D and D community by allowing D and D project managers around the DOE complex to collaborate by sharing innovative ideas, past experiences, and practices and by maintaining a directory of subject matter specialists. The mobile version of the KM-IT can be accessed from m.dndkm.org [03] and currently has six active modules: Vendor, Technology, Picture/Video Library, Hotline, Lessons Learned and Specialist Directory. Web analytics is a key tool being implemented by the D and D KM-IT project team in an effort to enhance the system to better meet users' needs. The D and D KM-IT project team incorporates web analytics as part of its operational elements to analyze information and key data points on how the system is being used. Web analytics is the measurement, collection, analysis and reporting of internet data for the purposes of understanding and optimizing web usage. The use of web analytics retains or attracts D and D community members to access and share knowledge through virtual collaboration on the KM-IT platform. D and D KM-IT web analytics measures details on the overall usage of the system without tracking personal information or specific user behavior: how many users visited the application, how many of those users were unique visitors, how visitors come to the system (i.e., by following a link to the system or by using the web site URL via bookmark or directly typing the address), what keywords were used to perform searches with the search engine, how long the average user stayed on a given screen or on the entire system and what links were clicked on. This information is used to identify which areas of the system are more popular than the others and provides information that can be used to streamline the application for a better user experience. (authors)

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Data Projection of the High Temperature Electrolysis System in the Dynamic Energy Transport and Integration Laboratory using Dynamic System Scaling

For nuclear power to be flexible in a functioning Integrated Energy System (IES), excess produced heat must be stored or utilized during times of low power demand to ensure a load factor of 1 while load balancing. The Dynamic Energy Transport and Integration Laboratory (DETAIL) is one facility that is under development to emulate IES conditions on the engineering-scale, planned to conduct virtual real time operations with industry-scale facilities, and is currently testing thermal storage and high temperature electrolysis. As part of the study to develop a method to preprocess input signals or postprocess output signals between systems of different scales via Dynamical System Scaling (DSS), the current research is one of the continued efforts branching from the data projection activity conducted for the Thermal Energy Distribution System and currently engages the High Temperature Electrolysis (HTE) System in DETAIL. The HTE SOEC electrical, fluid, and thermal dynamics Figure of Merits (FOM) were identified, governing equations and closure relations were successfully scaled, and relations between FOM scaling ratios were determined. Setting the scaling objectives to reform existing data to project a data set that doubly accelerated the electrolysis process while preserving the produced amount of hydrogen was generated for the full transient. The calculated boundary conditions were inlet temperature, stack current, and inlet steam mass flow rate at 1470 K, 121.1 A, and 1.886 g/s, respectively. The research outcomes demonstrated an output signal postprocessing case accelerating the hydrogen production without changing geometry, number of cells, and partial pressures.

08 HYDROGEN↗

Position Papers for the ASCR Workshop on Cybersecurity and Privacy for Scientific Computing Ecosystems

At the request of the Department of Energy's (DOE) Office of Advanced Scientific Computing Research (ASCR), this program committee has been tasked with organizing a workshop to identify basic research needs in cybersecurity and privacy to better support DOE's science and energy mission. As part of the process, the program committee is soliciting community input in the form of position papers to help identify significant use cases, facility issues, and other barriers to enabling verifiably trustworthy computational science while preserving data confidentiality as appropriate for scientific workflows of interest to DOE. The program committee will review these position papers and based on the fit of their area of expertise and interest, selected contributors will have the opportunity to participate in the workshop currently planned as a virtual event November 3-5th, 2021. The thrust areas that will be explored by this workshop are the following: (1) Algorithms for secure, scalable, privacy-enhancing technologies and frameworks, including: Federated AI/ML, Differential privacy, Randomized algorithms, Adversarial modeling & simulation, Graph algorithms, and Formal methods; (2) Platforms to support the entire scientific-computing ecosystem, including edge computing for large-scale experiments, focusing on heterogeneous systems and distributed systems, including: Heterogeneous computing systems, Distributed computing systems, and Secure data architectures; and (3) Data workflows to allow agile use of data while preserving integrity and privacy, making the important properties verifiable either at runtime or post-computation, including: Integrity and provenance and Data management infrastructure. Topics that are out-of-scope for the workshop include discussing specific proposed solutions or areas that are clearly out of DOE's fundamental and applied-sciences mission scope, e.g., cryptography, enterprise security, and general-operations technology.

97 MATHEMATICS AND COMPUTING↗

Data Driven Approach to Dislocation-Based Plasticity Models of Face-Centered Cubic Metals

Dislocation dynamics controls plastic deformation, mechanical strength, and failure of crystalline materials. It also governs fatigue resistance under cyclic loading, creep resistance at elevated-temperature, and radiation resistance for reactor applications. There is a compelling need for understanding fundamental dislocation mechanisms for deformation because virtually all structural metals used in energy systems are fabricated to desired forms and shapes by deformation processes. To date, the most outstanding problem in a physics-based multiscale model of crystal plasticity is the lack of quantitative connections between continuum plasticity (CP) models with the lower scale dislocation models. As a result, existing CP models used in engineering applications are still phenomenological, while evidence continues to mount that they can make inaccurate predictions under realistically complex scenarios. This project takes advantage of the recent advances in high-performance discrete dislocation dynamics (DDD) simulations and data science approaches to establish the first fully connected multiscale plasticity model for pure face-centered cubic (FCC) single crystals.

36 MATERIALS SCIENCE↗

Expediting field-effect transistor chemical sensor design with neuromorphic spiking graph neural networks

Improving the sensitive and selective detection of analytes in a variety of applications requires accelerating the rational design of field-effect transistor (FET) chemical sensors. Achieving high-performance detection relies on identifying optimal probe materials that can effectively interact with target analytes, a process traditionally driven by chemical intuition and time-consuming trial-and-error methods. To address the difficulties in probe screening for FET sensor development, this work presents a methodology that combines neuromorphic machine learning (ML) architectures, specifically a hybrid spiking graph neural network (SGNN), with an enriched dataset of physicochemical properties through semi-automated data extraction using large language models. Achieving a classification accuracy of 0.89 in predicting sensor sensitivity categories, the SGNN model outperformed traditional ML techniques by leveraging its ability to capture both global physicochemical properties and sparse topological features through a hybrid modeling framework. Next-generation sensor design was informed by the actionable insights into the connections between material properties and sensing performance offered by the SGNN framework. Through virtual screening for the detection of per- and polyfluoroalkyl substances (PFAS) as a use case, the effectiveness of the SGNN model was further validated. Density functional theory simulations confirmed graphene as a promising active material for PFAS detection as suggested by the SGNN framework. By bridging gaps in predictive modeling and data availability, this integrated approach provides a strong foundation for accelerating advancements in FET sensor design and innovation.

Ferreira, Rodrigo Pires [Univ. of Chicago, IL (Uni↗

Development of Efficient Process for Manufacturing of Thermoplastic Composites with Tailored Properties (CRADA 511)

This is a collaborative effort between Battelle Memorial Institute as manager and operator of Pacific Northwest National Laboratory (PNNL) and ESI North America Inc. (“ESI” or “Participant”) to apply computation and data analytics to the challenge of light weighting with a focus on the battery enclosures of electric vehicles (EVs). EVs use heavy batteries to increase range and power. A complex-shaped battery enclosure is required to meet a host of challenging performance requirements. The ability to virtually develop composite parts such as battery enclosure with tailored properties to meet required performance will be highly valuable to the automotive industry. However, efficient simulation of composite-manufacturing processes remains a challenging issue since simulation involves multiscale models in space and time, highly non-linear and anisotropic behavior, strongly coupled multi-physics, and complex geometries. This work will advance the state of the art by reducing the computational burden of composite optimization by using simulation data from a limited number of configurations off-line and then developing a reduced order model (ROM) using data analytics and machine learning (ML). Develop a data driven approach to link features of the material and manufacturing processes to the mechanical properties of thermoplastic composite parts.

42 ENGINEERING↗