Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “#science”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 685 records · Page 38

LANL ASC Vision for Computer Science R&D: "Business-as-usual will not be adequate" [Slides]

Key Messages: ASC has a strong legacy of mission contribution. Looking ahead, strategic drivers continuously push us to be faster, better, and smarter; Evolving mission drivers and technology markets mean that business-as-usual will not be adequate for the ASC Program; Call to action: How will our computer science R&D portfolio evolve to meet these challenges and opportunities?

97 MATHEMATICS AND COMPUTING↗

DOE Support for the 8th International Conference on Attosecond Science (Final Technical Report)

The 8th International Conference on Attosecond Science and Technology (ATTO VIII) was held on the campus of the University of Central Florida in Orlando, FL from July 10-16, 2022. The main objectives of the conference were (i) to outline the state of the art of attosecond research; (ii) to jump-start national and international collaborations that had been hindered by the pandemic; (iii) to promote recruiting and training of postdocs and tenure-track candidates; and (iv) to consolidate the global and diverse identity of the attosecond community.

74 ATOMIC AND MOLECULAR PHYSICS↗

Growth of Well-Defined Model Catalysts for Electrochemistry: From Surface Science Studies to Electrocatalytic CO2 Conversion

We combined ultrahigh vacuum (UHV) surface science techniques, electrochemical measurements, and computational modeling to investigate electrocatalytic systems that are crucial components of the carbon management effort, including oxygen evolution reactions (OER) and CO2 reduction reactions (CO2RR). Well-defined Model catalysts were grown on substrates in the UHV chamber and characterized with X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM). Selected model electrocatalysts were then tested in electrochemical cells to establish the structure-property relationships in OER and CO2RR. Our results showed that the edge sites of Fe2O3 grown on Au(111) were the most active toward OER and incorporation of Ni at the edge sites (NiFeOx) further boosted their OER activity. We also resolved the size-dependent electrocatalytic CO2-to-CO conversion of the Ag nanoparticle electrocatalysts with average particle diameter between 2 to 6 nm: smaller diameter (< 3 nm) particles favored H2 evolution reaction (HER) due to a high population of Ag edge sites, whereas larger diameter particles favored CO2RR as the population of Ag(100) surface sites grew. We further discovered that electronic interactions between small diameter Ag particles and highly defective carbon supports could break the size-dependent CO2RR selectivity, resulting in highly selective (CO Faradaic Efficiency > 90%) and active Ag nanoparticle electrocatalysts with sizes < 2 nm diameter.

Deng, Xingyi↗

Outcomes of HPC User Support using a Science Gateway AI Assistant

High Performance Computing (HPC) is a vital resource for nuclear energy research, facilitating advanced simulations and complex modeling of the quantification and qualification of advanced reactor technology. However, a common gap in knowledge exists around utilizing HPC systems, particularly for nuclear energy researchers unfamiliar with specific HPC systems. A researcher may be well-versed in using one HPC system and understanding its associated processes. Yet, they might struggle when faced with a different HPC system and its unique processes. HPC support staff play a crucial role in addressing these challenges by providing educational resources and assisting users. However, they also face the challenge of maintaining these systems and ensuring they run efficiently for all users, a responsibility that can be challenging to scale effectively with the increasing demand and expansion of HPC systems. This paper addresses this knowledge gap with an artificial intelligence (AI) assistant that offers on-demand, site-specific HPC support for researchers. Idaho National Laboratory (INL) has deployed an AI assistant that is intended to supplement expert HPC support staff and assist nuclear energy researchers. This paper reports on a four-and-a-half-month study evaluating the integration of an AI assistant within a science gateway, with the goal of enhancing existing HPC support.

97 MATHEMATICS AND COMPUTING↗

2023 High Energy Density Science Summer School

The University of California San Diego (UCSD) hosted the High Energy-Density Science (HEDS) Summer School from July 17 – 28, 2023 on the UCSD campus. The goal of the Summer School was to introduce new talent to the breadth of the U.S. HEDS community through lectures, engaging workshops, and discussion sessions with leaders in academia and the national laboratories. The objectives were to inspire young scientists to pursue graduate and professional careers in the fields of HEDS, teach them fundamental HEDS and critical skills, and grant them the opportunity to network with leading academic and national laboratory researchers. Our focus was to attract promising early-career students from across the country.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

2024 OES-Environmental 2024 State of the Science Report, Chapter 4: Social and Economic Effects of Marine Renewable Energy

While the 2024 State of the Science report primarily focuses on the interactions between marine renewable energy (MRE) and the environment, to fully account for the effects of MRE development, the social and economic aspects must also be considered. Incorporating how societal elements are altered related to the construction, operation, and maintenance of MRE projects and how MRE development may affect communities on a local, regional, and/or national scale is necessary to understand the suite of effects from the industry.

16 TIDAL AND WAVE POWER↗

Brochure on the 2024 ASCR Workshop on Energy-Efficient Computing for Science

Large-scale computing has enabled numerous scientific discoveries, including ground-breaking achievements facilitated by the US Department of Energy (DOE) supercomputers and advances in applied mathematics and computer science. While important advances were made in energy efficiency to enable exascale computing, continued efforts are needed to dramatically improve the energy efficiency of the next generation of high-performance computing (HPC) systems and, more broadly, AI data centers. Without substantial improvements in energy efficiency, the energy consumption associated with computing could become a limiting factor for future scientific discovery, national security, and technological advancement.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Report for the 2024 ASCR Workshop on Energy-Efficient Computing for Science

In September 2024, the US Department of Energy’s Advanced Scientific Computing Research pro gram convened a Workshop on Energy-Efficient Computing for Science to address the critical research challenges and opportunities in this field. The workshop brought together experts from academia, government, and industry to explore innovative approaches to improve energy efficiency across the computing stack over the next two decades. Participants identified five priority research directions (PRDs) that emphasize the need for a holistic approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Implications of new Reasoning Capabilities for Science and Security: Results from a Quick Initial Study

On Thursday, September 12 OpenAI released “a new series of models designed to spend more time thinking… they can reason through complex tasks and solve harder problems than previous models in science, coding, and math.” These models are referred to as o1-preview and o1-mini and appear to be first results of what had been a closely held project called Strawberry within OpenAI. The models are not described as successors in the earlier GPT series because they provide a qualitatively different type of capability, especially step-by-step reasoning.

97 MATHEMATICS AND COMPUTING↗

Justice Underpinning Science and Technology Research (JUST-R) Offline Tool: A Tool for Guiding Researchers in Addressing Energy Justice Considerations in Early-Stage Research

The Justice Underpinning Science and Technology Research (JUST-R) Metrics Framework is a set of metrics for assessing the energy justice implications of technologies that are currently under research and development (R&D). The JUST-R Metrics Framework guides researchers through an analysis of the many facets of their research processes, from material inputs to knowledge sources, that may contribute to energy injustice both during the research period and when the technology is scaled. This JUST-R Offline Tool consists of an Excel file and PDF guide to aid researchers, engineers, and project managers in their application of the JUST-R Metrics Framework. This tool enables researchers to 1) evaluate the baseline energy justice implications of their research; 2) develop justice-oriented changes to the research process; and 3) track the implementation of proposed changes. The metrics included in the framework are sorted into five aspects of research: Team Dynamics, Sources & Inputs, Processes & Protocols, Waste & Hazards, and Results & Dissemination. The JUST-R Tool can be found here: https://www.nrel.gov/analysis/just-r.html.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Quantum Information for Fusion Energy Sciences (Final Technical Report)

The simulation of plasma dynamics is a critical area of Fusion Energy Sciences (FES) due to it’s usefulness in predicting, controlling, and confining plasmas in the context of potential fusion reactors. The simulation of plasmas is a computationally difficult problem in both classical and quantum physics, motivating investigation into the potential of quantum computers to simulate these systems. This project took several concrete steps towards this goal by developing tools for improving the control, characterization, and calibration of quantum gates on a superconducting quantum computer, developing error suppression and mitigation tools to reduce errors on the quantum computer, and utilizing these advancements to simulate reduced models of plasma dynamics on the quantum computer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Quantum Information for Fusion Energy Sciences (Final Technical Report)

The simulation of plasma dynamics is a critical area of Fusion Energy Sciences (FES) due to it’s usefulness in predicting, controlling, and confining plasmas in the context of potential fusion reactors. The simulation of plasmas is a computationally difficult problem in both classical and quantum physics, motivating investigation into the potential of quantum computers to simulate these systems. This project took several concrete steps towards this goal by developing tools for improving the control, characterization, and calibration of quantum gates on a superconducting quantum computer, developing error suppression and mitigation tools to reduce errors on the quantum computer, and utilizing these advancements to simulate reduced models of plasma dynamics on the quantum computer. In order to efficiently simulate plasma physics, an optimal control method which synthesizes, directly at the pulse level, any quantum gate on qubit and qutrit systems was developed. Using four superconducting transmon quantum processors at Rigetti and LLNL, it was demonstrated that any arbitrary quantum gate on qubits and qutrits could be implemented with high fidelity, leading to a significantly reduced length of a gate sequence. A problem of interest in FES is the nonlinear optical process of laser pulse compression within a plasma. Since quantum physics is linear, simulating nonlinear operations is not naturally feasible on a quantum computer, however it is possible to simulated a quantized version of the nonlinear process. A quantization approach to convert nonlinear wave-wave interaction problems to Hamiltonian simulation problems was developed and demonstrated using two qubits on a Rigetti device. In this experiment, a number of error suppression and mitigation techniques were investigated to determine how best to utilize the finite quantum resources. This study provides an example of how plasma problems may be solved on near-term, noisy quantum computing platforms and identified a promising set of techniques. Building on the insights of these experiments, the investigation turned to linear electron-plasma wave physics. A connection was identified between a local one-dimensional lattice spin model and linear wave phenomena, allowing a plasma physics problem to be efficiently mapped to the quantum computer. In this framework, reflection and transmission of plasma waves at a sharp boundary was studied, as well as the propagation of waves through an inhomogeneous plasma medium. In addition to the suite of error suppression and mitigation techniques developed, this experiment introduced the use of a digital-analog gate scheme designed to efficiently simulate the plasma Hamiltonian. With hardware available at the conclusion of the project, simulation at the scale of 9 qubits and 15 timesteps (60 entangling layers) was achieved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Position Papers for the 2024 ASCR Workshop on Analog Computing for Science

Analog computing capabilities have existed since the dawn of science, but modern techniques potentially allow for the construction, verification, and characterization of complicated analog computing systems in a wide variety of contexts, from high-performance computational accelerators to nanorobotics and synthetic biology. In short, advances in analog computing can enable the creation of physical systems with complex behaviors that meet sophisticated requirements. Meeting our nation's needs, from needs in computing and modeling, to needs for advanced materials and energy technologies, continues to motivate pursuing novel kinds of complex systems, and thus analog computing techniques, in all of these spaces.

97 MATHEMATICS AND COMPUTING↗

Engineering Services in a Mission Critical Environment: Engineering Services - Science and Technology Operations’ Infrastructure Support at Los Alamos National Laboratory

As an engineering team within a facilities-driven organization, Engineering Services – Science and Technology Operations (ES-STO), supports Los Alamos National Laboratory (LANL), playing a pivotal role in the U.S. nuclear stockpile mission. This report outlines ES-STO’s contributions through the installation of crucial systems such as HVAC units, compressors, and scientific specialty equipment, as well as providing expert consultation to optimize laboratory operations. ES-STO’s goal is to ensure that LANL's infrastructure and research facilities are aligned with mission-critical needs, supporting both operational efficiency and safety in the nuclear stockpile management and maintenance. This report discusses the installation processes, ongoing consultations, and the significant impact of our efforts on national security objectives.

42 ENGINEERING↗

Common occupational classification system amendments for Accelerator Science and Engineering workforce

A common system to classify occupations and skills is essential to support accelerator workforce planning between the Department of Energy (DOE) National Laboratories. In 2025, ten DOE laboratories conducted a census of their accelerator science and engineering workforce and projected their accelerator workforce needs for the next ten years. To support this, revision 3 of the “Common Occupational Classification System” (COCS) was used as a common taxonomy. Modifications were made to include accelerator-specific skills and specialisms. COCS was originally developed for DOE Office of Environmental Restoration and Waste Management in 1996. The framework provides a high-level functional structure that can be expanded with further occupations and specialisms and remains well aligned to DOE laboratory roles nearly 30 years later. Accelerator occupations and specialisms were added to the framework for the 2025 effort to quantify the accelerator workforce. This document is a companion document to COCS and provides a definition for these new occupations and specialisms that do not appear in COCS. Proceeding with a stable taxonomy is seen as essential such that its use becomes easier each year; the taxonomy as used for the 2025 effort is recommended to be continued.

43 PARTICLE ACCELERATORS↗

Workflows for Science: A comprehensive guide for ensemble workflow tools usage with applications on OLCF systems

The growing demand for robust computational and workflow environments for scientific applications and user communities at the Oak Ridge Leadership Computing Facility (OLCF) has prompted collaboration with ensemble tools development teams and facility users to produce this technical paper. We connect science applications to the RADICAL-Pilot (RP) workflow tool to execute ensemble instantiations using the Frontier supercomputer. The documented installation, usage, and execution demonstrates how RP streamlines scientific workflows at OLCF. We outline the specific steps OLCF users can follow to integrate this tool with their applications and advance their research. This document stands as a comprehensive guide to OLCF users of ensemble workflow tools with examples on real applications using the Frontier supercomputer.

97 MATHEMATICS AND COMPUTING↗