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At least 253 records · Page 14

Radiation Hydrodynamics in the Lagrangian Application Project’s LUMOS code

Starting in 2019, the Lagrangian Applications Project (LAP) and the Transport Project set out to develop a new ALE/Lagrangian radiation-hydrodynamics (RH) capability in a new code product named LUMOS. This work was done under the guidance of the Advanced Simulation and Computing (ASC) program with the goal of producing software capable of leveraging the high-order thermal radiative transfer (TRT) solvers provided by the Jayenne and Capsaicin software projects. This capability supplements the existing gray diffusion solver that is currently available in LAP’s FLAG code [1, 2, 3] for RH. The remainder of this memo describes the coupling of the radiation and hydrodynamics solvers within LAP’s LUMOS code. Initially delivered in 2020 as part of an L2 milestone [4], this capability continues to mature in FY21 with more efficient and robust algorithms, new support for ALE, and support for mixed materials per cell. Today, LUMOS is provided as a standard end-user product in the suite of LAP tools provided in each release cycle. Code access can be requested at https://asc.lanl.gov.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ARPA-E Grid Optimization (GO) Competition Challenge 1

The ARPA-E Grid Optimization (GO) Competition Challenge 1, from 2018 to 2019, focused on the basic Security Constrained AC Optimal Power Flow problem (SCOPF) for a single time period. The Challenge utilized sets of unique datasets generated by the ARPA-E GRID DATA program. Each dataset consisted of a collection of power system network models of different sizes with associated operating scenarios (snapshots in time defining instantaneous power demand, renewable generation, generator and line availability, etc.). The datasets were of two types: Real-Time, which included starting-point information, and Online, which did not. Week-Ahead data is also provided for some cases but was not used in the Competition. Although most datasets were synthetic and generated by GRIDDATA, a few came from industry and were only used in the Final Event. All synthetic Input Data and Team Results for the GO Competition Challenge 1 for the Sandbox, Trial Events 1 to 3, and the Final Event along with problem, format, scoring and rules descriptions are available here. Data for industry scenarios will not be made public. Challenge 1, a minimization problem, required two computational steps. Solver 1 or Code 1 solved the base SCOPF problem under a strict wall clock time limit, as would be the case in industry, and reported the base case operating point as output, which was used to compute the Objective Function value that was used as the scenario score. The feasibility of the solution was provided by the Solver 2 or Code 2, which solves the power flow problem for all contingencies based on the results from Solver 1. This is not normally done in industry, so the time limits were relaxed. In fact, there were no time limits for Trial Event 1. This proved to be a mistake, with some codes running for more than 90 hours, and a time limit of 2 seconds per contingency was imposed for all other events. Entrants were free to use their own Solver 2 or use an open-source version provided by the Competition. Containers, such as Docker, were considered to improve the portability of codes, but none that could reliably support a multi-node parallel computing environment, e.g., MPI, could be found. For more information on the competition and challenge see the "GO Competition Challenge 1 Information" and "GO Competition Challenge 1 Additional Information" resources below.

ACOPF↗

ICARUS: new voyage to sterile neutrino search in the Short Baseline Program

The ICARUS collaboration operated the 760-ton T600 detector in a successful three-year physics run at the underground LNGS laboratories studying neutrino oscillations with the CNGS neutrino beam from CERN, and searching for atmospheric neutrino interactions. ICARUS performed a sensitive search for LSND-like anomalous νe appearance in the CNGS beam, which contributed to the constraints on the allowed parameters to a narrow region around $Δm^2=1 e\text{V}^2$, where all the experimental results can be coherently accommodated at 90% C.L. After a significant overhaul at CERN, the T600 detector has been installed at Fermilab. In 2020 cryogenic commissioning began with detector cool down, liquid Argon filling and recirculation. ICARUS has started operations and is presently in its commissioning phase with the aim of collecting its first neutrino events from the Booster Neutrino Beam and the NuMI off-axis beam. The main goal of the first year of ICARUS data taking will then be the definitive verification of the recent claim by NEUTRINO-4 short baseline reactor experiment both in the $ν_μ$ channel with the BNB and in the $ν_e$ with NuMI. After the first year of operations, ICARUS will commence its search for evidence of a sterile neutrino jointly with the SBND near detector, within the Short Baseline Neutrino (SBN) program. The ICARUS exposure to the NuMI beam will also give the possibility for other physics studies such as light dark matter searches and neutrino-Argon cross section measurements. The proposed contribution addresses ICARUS achievements, its status and plans for the new run at Fermilab and the ongoing developments of the analysis tools needed to fulfill its physics program.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Neutron Source Facility of the National Science Center “Kharkiv Institute of Physics and Technology” at Kharkiv, Ukraine

Argonne National Laboratory developed, designed, and supported the construction of a state-of-the-art Neutron Source Facility (NSF) at the Kharkov Institute of Physics and Technology (KIPT) in Kharkov Ukraine, under the U.S. DOE NNSA Russian Research Reactor Fuel Return (RRRFR) program. Ukraine approved the return of all highly enriched uranium in the country to Russia prior to the 2012 Nuclear Security Summit in return for the RRRFR program to fund the development, the design, and the construction of the NSF. The facility is designed to produce medical isotopes, train nuclear professionals, support the Ukrainian nuclear industry, and provide experimental capabilities for performing reactor physics, materials, and basic science research. The NSF was successfully started and operated in August 2021. The NSF is the first facility of this type in the world, and it will be used to understand the physics of driven systems for energy production and the disposal of spent nuclear fuels. The NSF consists of a subcritical assembly using low enriched uranium (LEU) fuel driven with an electron accelerator. The NSF target design utilizes tungsten or natural uranium for producing neutrons through photonuclear reactions using 100-MeV electrons. The accelerator power is 100 KW, which produces 3x10 14 neutrons per second from the uranium target. The subcritical assembly is designed to obtain the highest possible neutron flux intensity with an effective neutron multiplication factor of less than 0.98. Passive safety, reliability, and environmental considerations were included in the NSF design. The NSF utilization study shows that this neutron source has the capability of producing different medical isotopes. Several horizontal neutron channels are incorporated for performing applied and basic research. The NSF is configured to accommodate future design upgrades and new missions. The facility design was approved by the Ukraine Academy of Sciences before starting the NSF construction. The construction, the equipment installation, and the operation of the different systems of the NSF were completed and approved by the Ukrainian regulators. In July 2020, the State Nuclear Regulatory Inspectorate of Ukraine (SNRIU) issued a license for the physical startup of the NSF. The construction of facility was completed in early 2021.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Up up down down left right left right B A Start for the catalytic hackers of programmable materials

Catalysts have advanced over the last century to accelerate and control reactions based on static active sites. More effective catalysis can be achieved using catalysts that change with time over the course of a reaction, providing a dynamic free energy landscape that is tailored to each step in the reaction sequence. Here, the catalyst is modulated via an input program that directs the surface to change physically or electronically with time, providing information regarding the extent and duration of change optimized for specific combinations of chemistry and programmable catalyst surfaces. While in its infancy, programmable catalysis is advancing with parallel efforts to establish fundamental principles of dynamic catalysts, design of programmable materials, and strategies to design input programs that will control catalysis for faster and more selective reactions.

catalyst↗

Developing an Undergraduate Research Laboratory for Experimental Physical Chemistry [Book Chapter]

Embarking on a faculty career in physical chemistry at a primarily undergraduate institution (PUI) is exciting, but also overwhelming. Becoming both an effective teacher and a productive researcher requires a good plan, hard work and support from others who understand what it takes to be successful. The phrase, “building a laboratory,” calls to mind the physical construction of a research instrument, but beginning a career at a PUI involves much more than assembling equipment. Funding for the lab must be secured, students must be recruited and mentored, and the lab must be overseen to keep things running on a daily basis. While many of these tasks would also be part of starting a career at a doctoral level institution, there are many special considerations that must be taken into account when working with undergraduate students because their laboratory experience and chemical knowledge are still within those beautiful but nascent stages. Here, this unique aspect makes building a research program challenging, but also very rewarding. Exposing young minds to the wonders of physical chemistry and building personal relationships through the mentoring process can be immensely gratifying. This chapter is a compilation of holistic advice for building an experimental physical chemistry research laboratory for undergraduates, reflecting a typical experience found in the United States.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

LANL ASC FY23 L2 Milestone Description and Completion Criteria [Slides]

In early 2021, the ASC Program decided that Ristra should provide a production code (Moya) for LANL’s mission in the Low Energy-Density Physics application space. At the same time, Ristra should design an environment for rapid development of new codes that can answer new questions on new hardware. We started FY22 by expanding upon our R&D efforts of high-order DG methods for hydrodynamics; Technical & staffing challenges caused us to abandon this for a traditional FV SGH approach, but leveraging modern techniques. Significant changes in FleCSI (v1.4→2.x) have us writing code anew, in a co-design effort with the FleCSI and FleCSI specialization projects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

State elimination for mixed‐integer optimal control of partial differential equations by semigroup theory

Abstract Mixed‐integer optimal control problems governed by partial differential equations (MIPDECOs) are powerful modeling tools but also challenging in terms of theory and computation. We propose a highly efficient state elimination approach for MIPDECOs that are governed by partial differential equations that have the structure of an abstract ordinary differential equation in function space. This allows us to avoid repeated calculations of the states for all time steps, and our approach is applied only once before starting the optimization. The presentation of theoretical results is complemented by numerical experiments.

97 MATHEMATICS AND COMPUTING↗

PACT Center: Perovskite PV Accelerator for Commercializing Technologies (Final Technical Report)

The Perovskite PV Accelerator for Commercializing Technologies (PACT) center was established in July 2021 as a national resource to accelerate the commercialization of perovskite photovoltaic (PV) technology in the United States. Since its inception, PACT has been led by Sandia National Laboratories (Sandia) in partnership with the National Laboratory of the Rockies (NLR), formerly known as NREL. From FY20-FY23, Los Alamos National Laboratory (LANL), CFV Labs, Black & Veatch (B&V), and the Electric Power Research Institute (EPRI) were part of the project team. LANL brought expertise in perovskite PV device designs and processing, CFV Labs (now GroundWork Renewables) provided initial indoor and outdoor measurement hardware technology, B&V led the initial effort on perovskite PV bankability, and EPRI worked on reviewing testing standards, identifying commercialization gaps, and helping to run PACT’s Industry Advisory Board, a group including representatives from commercial testing labs, independent engineering firms, insurance companies, state regulators, and electric utilities. To source perovskite PV module samples, PACT contracted with the University of North Carolina (UNC), the University of Toledo, the University of Washington, and SLAC/Stanford University to provide a steady stream of research-grade perovskite mini modules, enabling protocol development in advance of commercial module availability. The project period ran from July 1, 2021, through December 31, 2025, including a No Cost Extension. Starting in FY25, the project was continued as a Core Capability in the Lab Call portfolio and continues at a reduced budget with only Sandia and NLR as funded recipients. Notably, starting in FY25 PACT expanded its scope beyond MHP modules to accept all emerging PV mini module technologies for testing, including organic PV (OPV) and all-thin-film tandems, with the aim of supporting commercialization across the broader emerging PV ecosystem. With this change in scope the program was renamed the PV Accelerator for Commercializing Technologies, dropping perovskite from the name.

14 SOLAR ENERGY↗

Size and Distribution of Parr Produced from Natural‐ and Hatchery‐Origin Steelhead Spawning Naturally in a Small Pacific Northwest Coastal Stream

Abstract Recent studies suggest that steelhead Oncorhynchus mykiss produced from local hatchery‐origin (HOR) adults have lower lifetime fitness than their natural‐origin (NOR) counterparts. To increase our understanding of this pattern, we compared age‐1 parr size and distribution produced by a local integrated population of HOR and NOR adults spawning naturally across a range of environmental conditions. Across 8 years, we used genetic parentage assignments and field measurements of parr in conjunction with creek temperature and flow data to find small, nonbiologically significant differences in size between parr of different parent origins. This suggests that parr produced by HOR adults are acquiring enough resources to grow at a rate similar to that of parr produced by NOR adults. In contrast to origin, we found strong positive associations between mean size of parr and annual mean water temperature and summer flow. Additionally, the distribution of parr was similar and HOR‐produced parr were not skewed relative to the location of the hatchery. Parr occupying the full extent of accessible and suitable habitat might be a positive outcome for hatchery programs seeking to supplement an existing population or replace an extirpated population. However, these results also imply that HOR fish could be competing with NOR fish for food and space, which might be less desirable if the goal of the hatchery program is harvest and not supplementation. Our results highlight the importance of clearly articulated goals for the hatchery program, as the observed pattern could be deemed a benefit or a risk depending on the hatchery's purpose. Lastly, projections for higher water temperatures and reduced summer flows, when considered in the context of the correlations we observed for size of parr, imply that coastal steelhead populations could start experiencing negative climate impacts with respect to steelhead parr growth metrics during the summer in the next few decades.

Kennedy, Benjamen M.↗

A survey of software implementations used by application codes in the Exascale Computing Project

The US Department of Energy Office of Science and the National Nuclear Security Administration initiated the Exascale Computing Project (ECP) in 2016 to prepare mission-relevant applications and scientific software for the delivery of the exascale computers starting in 2023. The ECP currently supports 24 efforts directed at specific applications and six supporting co-design projects. These 24 application projects contain 62 application codes that are implemented in three high-level languages—C, C++, and Fortran—and use 22 combinations of graphical processing unit programming models. The most common implementation language is C++, which is used in 53 different application codes. The most common programming models across ECP applications are CUDA and Kokkos, which are employed in 15 and 14 applications, respectively. This article provides a survey of the programming languages and models used in the ECP applications codebase that will be used to achieve performance on the future exascale hardware platforms.

97 MATHEMATICS AND COMPUTING↗

U.S. Department of Energy Collegiate Wind Competition 2024: Rules - Phase 2 and 3

The U.S. Department of Energy (DOE) Wind Energy Technologies Office's (WETO) Collegiate Wind Competition (CWC, also referred to as the "Competition" in this rules document) invites interdisciplinary teams of undergraduate students from a variety of academic programs to solve complex wind energy challenges. Through the competition, WETO intends to offer students direct industry experience, valuable exposure to wind energy career pathways, and greater knowledge of wind energy's potential to contribute to a clean energy future. The competition will select up to 35 teams to start, making them eligible to compete for a cash prize pool of up to $280,000.

Collegiate Wind Competition↗

U.S. Department of Energy Collegiate Wind Competition 2025 Rules - Phase 1

The U.S. Department of Energy (DOE) Wind Energy Technologies Office's (WETO) Collegiate Wind Competition (CWC, also referred to as the "Competition" in this rules document) invites interdisciplinary teams of undergraduate students from a variety of academic programs to solve complex wind energy challenges. Through the competition, WETO intends to offer students direct industry experience, valuable exposure to wind energy career pathways, and greater knowledge of wind energy's potential to contribute to a clean energy future. The competition will select up to 35 teams to start, making them eligible to compete for a cash prize pool of up to $280,000 . Each year, the competition identifies a new challenge and set of activities that address real-world research questions, thus demonstrating skills that students will need to work in the wind or wider renewable energy industries. The Collegiate Wind Competition 2025 challenge requires participants to compete simultaneously in four contests: 1) Turbine Prototype Contest: Design, build, and present a unique, wind-driven power system based on market research; 2) Turbine Testing Contest: Test the wind turbine in a competition wind tunnel at the final event; 3) Project Development Contest: Research wind resource data, transmission infrastructure, and environmental factors to create a site plan and financial analysis for a hypothetical wind farm; and Connection Creation Contest: Partner with wind industry professionals, raise awareness of wind energy in your local community, and work with local media to promote your team's accomplishments. The competition does not prescribe a power system market or wind regime. It is expected that each team will participate in all four contests.

collegiate wind competition↗

U.S. Department of Energy Collegiate Wind Competition 2025: Rules - Phases 2 and 3

The U.S. Department of Energy (DOE) Wind Energy Technologies Office's (WETO) Collegiate Wind Competition (CWC, also referred to as the "competition" in this rules document) invites interdisciplinary teams of undergraduate students from a variety of academic programs to solve complex wind energy challenges. Through the competition, WETO intends to offer students direct industry experience, valuable exposure to wind energy career pathways, and greater knowledge of wind energy's potential to contribute to a clean energy future. The competition will select up to 35 teams to start, making them eligible to compete for a cash prize pool of up to $280,000. Each year, the competition identifies a new challenge and set of activities that address real-world research questions, thus demonstrating skills that students will need to work in the wind or wider renewable energy industries. The Collegiate Wind Competition 2025 challenge requires participants to compete simultaneously in four contests: 1) Turbine Design Contest: Design, build, and present a unique, wind-driven power system. 2) Turbine Testing Contest: Test the wind turbine in a competition wind tunnel at the final event. 3) Project Development Contest: Research wind resource data, transmission infrastructure, and environmental factors to create a site plan and financial analysis for a hypothetical wind farm. 4) Connection Creation Contest: Partner with wind industry professionals, raise awareness of wind energy in your local community, and work with local media to promote your team's accomplishments. The competition does not prescribe a power system market or wind regime. It is expected that each team will participate in all four contests.

Collegiate Wind Competition↗

Universal Passive Synchronization Method for Grid-Forming Inverters Without Mode Transition

Power systems are transforming with increasing levels of inverter-based resources (IBRs). This transformation requires critical roles of grid-forming (GFM) inverters replacing synchronous generators for bulk power system stabilization and ancillary services, also allowing flexible power system operation, such as microgrid that is operated by multiple GFM IBRs to achieve system resilience against contingencies. To realize the resilient power systems allowing flexible in-and-out operation of GFM IBRs potentially programmed with different primary controls, a synchronization method universally applicable, i.e., independent of control types, would be beneficial to ease the integration process, but it has not been actively studied. To fill the gap, this paper proposes a universal synchronization method that achieves a passive synchronization to enable a smooth transition in a grid with off-nominal system parameters, i.e., voltage and frequency. The logic proposed requires no modification on the primary control, thus applicable to any type of GFMs with a voltage reference input. To validate the concept, a simulation of an IEEE 13-bus benchmark system modified with 3 GFM inverters is presented. It simulates an inverter-driven black start scenario in which GFM inverters autonomously turn on and connect to the grid under heavy loading, using the synchronization logic. The case study demonstrates that GFM inverters can tune their voltage reference to smoothly synchronize without severe transients, and contribute to a seamless black start of the grid under unbalanced load conditions. Two GFM methods - Droop and dispatchable virtual oscillator control - are used for the demo to validate feasibility and interoperability of the passive synchronization.

black start↗

Early experiences evaluating the HPE/Cray ecosystem for AMD GPUs

Summary The Oak Ridge Leadership Computing Facility (OLCF) has a long history of supporting and promoting GPU‐accelerated computing starting with the deployment of the Titan supercomputer in 2021 and continuing with the Summit supercomputer which has a theoretical peak performance of approximately 200 petaflops. Because the majority of Summit's computational power comes from its 27,972 GPUs, users must port their applications to one of the supported programming models in order to make efficient use of the system. To prepare the transition to Frontier, the OLCF's exascale supercomputer, users will need to adapt to an entirely new ecosystem which will include new hardware and software technologies. First, users will need to familiarize themselves with the AMD Radeon GPU architecture. Furthermore, users who have been previously relying on CUDA will need to transition to the Heterogeneous‐Computing Interface for Portability (HIP) or one of the other supported programming models (e.g., OpenMP, OpenACC). In this work, we describe our initial experiences and lessons learned in porting three applications or proxy apps currently running on Summit to the HPE/Cray ecosystem to leverage the compute power from AMD GPUs: minisweep, GenASiS, and Sparkler. Each one is representative of current production workloads utilized at the OLCF, different programming languages, and different programming models.

Melesse Vergara, Verónica G.↗

Animal movement estimation and network-based epidemic modeling: Illustration for the swine industry in Iowa (US)

Animal movement plays a critical role in disease transmission between farms. However, in the United States, the lack of available animal shipment data, sometimes coupled with a lack of detailed information about farm demographics and characteristics, presents great challenges for epidemic modeling and prediction. In this study, we proposed a new method based on the maximum entropy to generate “synthetic” animal movement networks, considering available statistics about the premises operation type, operation size, and the distance between premises. We illustrated our method for the swine movement networks in Iowa and performed network analyses to gain insights into the swine industry. We then applied the generated networks to a network-based epidemic model to identify potential system vulnerabilities in terms of disease transmission. The model was parameterized for African Swine Fever (ASF) as the US swine industry is quite concerned about this disease. Results show that premises with a central role in the network are more vulnerable to disease outbreaks and play an important role in disease spread. Simulations with outbreaks starting from random farms reveal no significant large outbreaks, indicating the system’s relative robustness against arbitrary disease introductions. However, outbreaks originating from high out-degree farms can lead to large epidemic sizes. This underscores the importance for stakeholders and policymakers to continue improving animal movement records and traceability programs in the US and the value of making that data available to epidemiologists and modelers to better understand risk and inform strategies aimed to cost-effectively prevent and control disease transmission. Our approach could be easily adapted to estimate movement networks in other animal production systems and to inform disease spread models for various infectious diseases.

60 APPLIED LIFE SCIENCES↗