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DOE OSTI2024

Controlled skyrmion ratchet in linear protrusion defects

Using atomistic simulations, we investigate the dynamical behavior of a single skyrmion interacting with an asymmetric linear protrusion array under external ac driving. The linear protrusion array is placed in the xy plane and is composed of magnetic walls near the edge of the nanotrack that have angled linear protrusions into the nanotrack. The structure forms a hard axis for –x direction motion and an easy axis for +x direction motion. When the ac drive is applied along the x direction, the skyrmion moves along the hard direction of the substrate asymmetry in three phases: a pinned phase with localized skyrmion orbits, a constant velocity phase where the orbits become delocalized, and a reentrant pinned phase with larger localized orbits. We measure the dependence of the skyrmion velocity on the frequency and amplitude of the ac drive. All three phases appear for all frequency values simulated here, and in the constant velocity phase the skyrmion velocity depends only on the frequency and not on the amplitude of the ac drive. When ac driving is applied in the y direction, the skyrmion moves along the easy direction of the substrate asymmetry and exhibits the same three phases as for x-direction driving along with a fourth phase which, at high driving frequencies, consists of a series of constant velocity phases, each with different average skyrmion velocities. For low frequencies, the constant velocity phase is lost and the skyrmion speed increases linearly with increasing ac drive amplitude due to a Magnus boost effect. Finally, our findings suggest new ways to create reliable data transport for spintronic devices using skyrmions as information carriers, where the skyrmion direction and speed can be controlled by varying only the ac drive amplitude and frequency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Theoretical analysis of the extraction of neutron skin thickness from coherent π 0 photoproduction off nuclei

Background: Coherent π⁢ 0 photoproduction on heavy nuclei has been suggested as a reliable tool to infer neutron skin thicknesses. To this aim, various experiments have been performed, especially on 208 Pb. Purpose: Here, we analyze the sensitivity of that reaction process to the nucleonic density, and especially to the neutron skin thickness, for 12 C, 40 Ca, and 208 Pb, for which reliable data exist, and on 116,124 Sn, for which measurements have been performed in Mainz. We study also the role played by the π 0 -nucleus final-state interaction. Methods: A model of the reaction is developed at the impulse approximation considering either plane waves or distorted waves to describe the π 0 -nucleus scattering in the outgoing channel. Results: Our calculations are in good agreement with existing data, especially for 208 Pb. The sensitivity of the theoretical cross sections to the choice of the nucleonic density is small and below the experimental resolution. Conclusions: Coherent π 0 photoproduction is mostly an isoscalar observable that bares no practical sensitivity to the neutron skin thickness. To infer that structure observable it should be coupled to other reaction measurements, such as electron scattering, or by comparing experiments performed on isotopes of the same chemical element.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Mass measurements of neutron-rich nuclei near $N = 70$

The astrophysical origin for the chemical elements between the first and second r-process peaks is a matter of intense debate, with a number of nucleosynthesis processes at explosive stellar environments possibly contributing to their production. Reliable data on the trends of neutron separation energies of neutron-rich isotopes are required to model neutron-capture processes that would produce these elements. Masses of 104 Y, 106 Zr, 112 Mo, and 115 Tc have been measured with the time-of-flight-magnetic-rigidity (ToF–Bρ) technique at the National Superconducting Cyclotron Laboratory at Michigan State University. The experiment is the first application of the ToF–Bρ technique at the S800 spectrograph that reached the mass region relevant to heavy-element nucleosynthesis. Finally, the two-neutron separation energy deduced from the measured masses exhibits a smooth trend consistent with the theoretical predictions within the range of experimental uncertainty, indicating that there is no sudden shape transition in these isotopes as hinted at by previous data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

A versatile X-ray phase retarder for lock-in XMCD measurements

X-ray magnetic circular dichroism (XMCD) is a technique commonly used to probe magnetic properties of materials with element and orbital selectivity, which requires the use of circularly polarized (CP) X-rays. It is possible to accomplish XMCD experiments with fixed CP and alternating the magnetic field orientation, but most reliable data are obtained when alternating the magnetization orientation and the polarization between right and left helicities. A versatile strategy has been developed to perform XMCD experiments using a hard X-ray quarter-wave plate, at both polychromatic dispersive and conventional monochromatic optics, in combination with synchronous data acquisition. The switching frequency waveform is fed into a lock-in amplifier to detect and amplify the XMCD signal. The results on a reference sample demonstrate an improvement in data quality and acquisition time. The instrumentation successfully generated 98% of CP X-rays switching the beam helicity at 13 Hz, with the possibility of faster helicity switching once it is installed at the new Brazilian fourth-generation source, SIRIUS.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

A Survey on the Expanding Scope and Interdisciplinary Opportunities for Processing-in-Memory Techniques

Processing-in-Memory (PIM) is emerging as a practical path to overcome the limitations of traditional von Neumann architectures. At its core, PIM systems implement computing primitives such as logic operations and multiply-accumulate acceleration through compute-in-memory, near-memory processing, or hybrid designs. The role of memory cells varies widely across technologies, acting as inputs, outputs, or analog accumulators through bit-lines and sense amplifiers. This diversity creates trade-offs in precision, bandwidth, latency, and programmability, making it difficult to build a unified understanding on the progress of the field. In this survey, we organize recent advances of PIM into three areas. First, we discuss the progress on the architectural optimizations of PIM and its integration with both DRAM and emerging non-volatile memories. Second, we examine how PIM is being used to accelerate key computing domains, including generative AI workloads and high-performance kernels, along with new approaches. Third, we highlight the growing adoption of PIM in computational sciences, where it is being applied to solve interdisciplinary problems such as genome analysis, mRNA quantification, mass spectrometry, quantum circuit simulation, wave modeling, and secure computation. Finally, we synthesize the major challenges that continue to slow PIM adoption, including manufacturing constraints, power delivery, thermal reliability, data consistency, runtime and memory-management coordination, and the difficulty of building portable software abstractions without sacrificing commercial viability. This work provides an updated, structured perspective on PIM’s potential across computing and computational sciences and the barriers that must be solved for it to reach its full impact.

Asifuzzaman, Kazi [Oak Ridge National Laboratory (↗

DOE OSTI2025

Traffic Shaping to Traffic Engineering in Time-Sensitive OT Network

Modern industrial automation systems increasingly depend on network infrastructures for time-critical communication, driving the need for solutions that guarantee timely and reliable data delivery. IEEE 802.1 Time-Sensitive Networking (TSN) holds significant promise for converging Information Technology (IT) and Operational Technology (OT) networks, enabling interoperability and supporting the coexistence of mixed-critical traffic crucial for Industry 4.0 and IIoT. To achieve deterministic communication, TSN employs various traffic shapers such as the Time-Aware Shaper (TAS), Asynchronous Traffic Shaper (ATS), and Credit-Based Shaper (CBS). However, the effective deployment of TSN in industrial automation faces several challenges. These include the non-trivial mapping of diverse industrial traffic types to specific shapers, the complexity of optimizing shaper configurations. We present a model for effective traffic engineering within TSN enabled OT Network. Our experiments also demonstrate how shaping of certain traffic types get affected in absence of precise time synchronization and propose possible solutions based on experiment results. Based on our experimental results we provide recommendations on how traffic type assignments should be done and which traffic shaping mechanisms should be used for a particular traffic type.

Sarker, Taposh Kumer [University of Texas at El Pa↗

DOE OSTI2020

Electrochemical Dilatometry of Si-Bearing Electrodes: Dimensional Changes and Experiment Design

The severe volumetric changes in Si particles during the Li (de)alloying process cause expansion and contraction of the electrodes, which along with excessive electrolyte reduction and solid electrolyte interphase formation brings about rapid decay in cell capacity. In this work, we use operando electrochemical dilatometry to quantify the (de)lithiation-induced expansion/contraction of Si-based and graphite-rich electrodes during electrochemical cycling. We evaluate the relationship between electrode capacity and dilation and observe that by increasing the Si contribution to the electrode capacity, the swelling is aggravated upon lithiation. For silicon-rich anodes, the electrode dilation can be higher than 300%, and the expansion profile consists of a combination of slow swelling at low lithiation followed by an accelerated increase at higher lithium contents. We investigate how electrode properties, such as porosity, affect the dilation profile and quantify the irreversible expansion of the electrodes. Finally, we discuss some of the challenges associated with the dilatometry technique and suggest experimental approaches for obtaining consistent and reliable data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Transit Rider/Travel Behavior Inventory Survey - Minneapolis-St. Paul Metro - 2010

The Metropolitan Council administered a system-wide transit on-board survey between September and November 2010 as part of the 2010 Travel Behavior Inventory to provide detailed transit usage patterns and rider information to support modeling and planning efforts. The study’s focus was to capture only the most current and reliable data necessary to determine future public transportation needs in the Minneapolis region. The study was structured to collect detailed transit ridership data for different routes during different times of day to develop a disaggregate transit trip table that will support advanced travel demand modeling. The study was designed to leverage existing data sources, such as the 2005 on-board survey, to provide the best quality data to update the Travel Behavior Inventory in the Minneapolis-Saint Paul metropolitan area.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Nuclear Physics Network Requirements Review Report

The Energy Sciences Network (ESnet) is the Office of Science’s high-performance network user facility, delivering highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the U.S. Department of Energy (DOE) science mission by connecting each and every DOE lab and its user facilities. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) Program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. ESnet connects DOE national laboratories, user facilities, and major experiments so scientists can use remote instruments and computing resources as well as share data with collaborators, transfer large data sets, and access distributed data repositories. While ESnet provides network connectivity, it cannot be characterized as an internet service provider as it is specifically built to provide a range of network services that are tailored to meet the unique requirements of DOE’s data-intensive science.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Opportunities for Using the Industrial Assessment Center Database for Industrial Water Use Analysis

The manufacturing sector accounted for approximately 5–6% of total U.S. water use in 2015. Of that amount, 75–80% is self supplied withdrawal from surface-water and groundwater sources and the remainder is from public water supplies. Although manufacturing facilities commonly locate in water-scarce areas, water scarcity still poses a great risk to the manufacturing sector. Reliable water is necessary for any facility that relies on it for process and comfort cooling, cleaning, employee use, and steam generation. One of these barriers to water efficiency is the lack of reliable data on overall U.S. industrial water use—how it is used and the quantities required for each sector. If a facility cannot be easily compared with a facility of similar size and sector, knowing if it is effectively using water conservation best practices is difficult. One potential source of industrial water use data is the U.S. Department of Energy (DOE)–sponsored Industrial Assessment Centers (IACs). IACs are university-based organizations that provide free audits to small- and medium-sized manufacturing facilities to identify productivity improvement and waste and energy reduction opportunities. The IACs also maintain a database of all the audits conducted, which currently holds more than 19,267 assessments and 145,000 recommendations (as of July 24, 2020). This database also contains energy utility (electricity, natural gas, and other fuels) and water utility data, making it a potential data source for industrial water use. This report attempts to create regression models to predict a small- or medium-sized industrial facility’s annual water use or cost based on its industrial subsector and several possible relevant variables. Using data collected by IAC assessments, models for several industrial subsectors were generated via stepwise regression techniques to determine which variables (annual sales, number of employees, facility/plant area, annual production hours, and a water stress metric) are relevant.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

LLNL Response to the DOE ASCR RFI, "Stewardship of Software for Scientific and High-Performance Computing"

For decades, Lawrence Livermore National Laboratory (LLNL) has been engaged in significant research, development, and support for software to enable scientific computing and, particularly, the use of high performance computing (HPC) in the NNSA mission space. In particular, the move in the mid-1990’s to simulation as a leading component of stockpile stewardship through the ASCI and the successor ASC programs, as well as the need for reliable data acquisition and control software for the National Ignition Facility, have been important drivers in building expertise in production-quality software development at LLNL. LLNL has also been a leader in the DOE SciDAC FASTMath Institute and the DOE Exascale Computing Project (ECP), both of which have striven to make scientific computing software – in particular, the enabling technologies underpinning simulation capabilities – more widely adopted and sustainable. As such, we believe that our experience can inform the broader goal of software stewardship for scientific and high-performance computing. LLNL strongly supports the formation of a new DOE ASCR program element in software stewardship and sustainment. Historically, DOE ASCR has funded applied mathematics and computer science research that has led to the development of important new capabilities and algorithms that are expressed as artifacts in research software. Such frameworks, libraries, and tools have seldom been directly funded to address the important issues of code maintenance, documentation, robustness, and community building. Software engineering and support have typically been done on the side in support of the ASCR-driven research products. DOE funding priorities have been slow to recognize that good software engineering, the kind that ensures research investments have more adoption and longevity, requires significant resources. Based upon our experiences, we have prepared this response to highlight the concerns and issues we believe to be important as DOE ASCR considers its role in scientific software stewardship. We believe that role is important and will require a significant investment of new funding to legitimately support the technologies past and future DOE ASCR investments have and will produce to facilitate their uptake and adoption in the broader scientific computing community. Following a summary of our involvement in scientific software development, the remainder our response is organized around the nine topics specifically identified in the RFI.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Operation Tumbler-Snapper

Operation Tumbler-Snapper began on April 1, 1952, when Able, a low-yield nuclear device, detonated 793 feet over the Frenchman Flat area of the Nevada Proving Ground. Able, the first of four airdrops conducted as the Tumbler phase of the Operation, provided the Department of Defense with reliable data on the relationship between height of burst and blast overpressure. Such information was vital to establishing the battlefield use of nuclear weapons. A final set of four tower detonations, the Snapper phase, provided the AEC and Los Alamos with diagnostic data on new weapon designs. Although the test series was nominally divided between the AEC and the DOD, this distinction held little meaning because two of the Tumbler effects tests, Charlie and Dog, employed experimental devices and all four of the Snapper tests involved effects experiments, including military troop maneuvers.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2021

Blockchain for Fault-Tolerant Grid Operations

Distribution system fault/failure has a direct impact on customers. Distribution systems are not designed with the contingency of one or more elements failing as the transmission system, however, distribution systems are more likely to have faults in comparison to transmission and generation systems. Most of the distribution systems have a radial design with the protection system assumption of unidirectional power flow. The radial design results in the disconnection of customers for any given component failure. The rapid deployment of distributed energy resources conflicts with the assumption of unidirectional power flow. To maintain/improve the distribution system fault tolerance for a grid with high penetration of distributed energy resources requires improvement. Blockchain can add value to improve fault-tolerant grid operations. That can be achieved using blockchain’s core features of distributed consensus-based decision-making process and immutability. In the process of preparing for an event or system restoration, there is a need for reliable data and system situational awareness. The system situational awareness enables accurate planning for possible scenarios and system restoration after an event, an area where blockchain’s distributed architecture can help. The value of blockchain for a fault-tolerant grid operation is elaborated with three use cases: 1) fault location, isolation, and service restoration; 2) topology identification; and 3) data configuration. These use cases demonstrate how blockchain-based architecture can facilitate bridging the vulnerabilities of the existing implementation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Fusion Energy Sciences Network Requirements Review. Final Report, April - October 2021

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all of its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. Throughout 2021, ESnet and the Office of Fusion Energy Sciences (FES) of the DOE SC organized an ESnet requirements review of FES-supported activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about their relationship to the FES program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

ARIES Network Requirements Review

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all of its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. On May 1, 2021, ESnet and the DOE Office of Energy Efficiency and Renewable Energy (EERE), organized an ESnet requirements review of the ARIES (Advanced Research on Integrated Energy Systems) platform. Preparation for this event included identification of key stakeholders to the process: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents in order to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2022

Basic Energy Sciences Network Requirements Review (Final Report)

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all of its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. Between March and September 2022, ESnet and the Office of Basic Energy Sciences (BES) of the DOE SC organized an ESnet requirements review of BES-supported activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about its relationship to the BES program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Outdoor Test Bed Performance of a Power Line Sensor Using a Real-Time Event Simulator

This report summarizes the design and application of an outdoor power line sensor testbed (OPLST) with a real-time simulator and power meter to compare a potential transformer (PT) and current transformer (CT) versus an advanced line-post sensor. The OPLST was created to validate advanced medium-voltage (20/34.5 kV) outdoor power line sensors used in electrical distribution systems. Electrical utilities have installed metering and relay-protection transformers like PTs and CTs for several decades. The PTs/CTs are iron core measurement transformers based on the electromagnetic induction principle and provide reliable data in normal grid operation. However, new outdoor power line sensors (OPLS) using other technologies like voltage divider, Rogowski coil and optical principles have become available and may have favorable performance and costs compared to PTs/CTs. Therefore, the importance of testing these technologies with the PT/CT, to compare the measured phase voltage/current at different power grid scenarios is crucial to understand the performance of these new OPLS. For this study a G&W Electric Model CVS-36-O power line sensor was chosen as the OPLS to test with voltage/current signals. An OPAL-RT Technologies Model OP4510 real-time simulator and Schweitzer Engineering Laboratories Model SEL-735 power meter were installed with the 20/34.5 kV OPLST to compare the measured transient events collected from an advanced OPLS and the PT/CT. This system is installed at the Distributed Energy Communications and Control (DECC) lab, Oak Ridge National Laboratory (ORNL). The simulator generated different power grid scenarios (electrical faults, capacitor bank operation, service restoration, etc.), and its analog-output signals were connected to the voltage/current amplifiers that feed the 20/34.5 kV aerial cable loop through the PT/CT devices. Additional PT/CT devices were also wired with the medium voltage aerial cable loop to measure the phase current/voltage signals and server as references. After each test, common format for transient data exchange (COMTRADE) files were collected from the SEL-735 power meter and used to compare the performance of the OPLS with the PT/CT. The behavior of analog signals, harmonic components, total harmonic distortion and crest factors were assessed and found favorable for the G&W sensor as compared to the reference PT/CT.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

High Energy Physics Network Requirements Review: One-Year Update

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education (R&E) networking community. In April 2022, ESnet and the Office of High Energy Physics (HEP) of the DOE SC organized an ESnet requirements review of HEP-supported activities. Preparation for the review included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about the group’s relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

97 MATHEMATICS AND COMPUTING↗