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The Industry Energy Tool (IET): Documentation

Studies of industrial energy use typically mention the sector's heterogeneity and complexity as modelling barriers. One of the more significant impediments to analyzing and building models of U.S. industrial energy use is the lack of current, disaggregated data. The Industry Energy Tool (IET) and its foundational data addresses some of these barriers. The IET uses county-level energy data with stock turnover, energy efficiency, fuel switching, and emissions functionalities to calculate energy use and emissions from agriculture, construction, mining, and manufacturing industries from 2014 to 2050. The IET is an open-source, transparent, and flexible tool for exploring industrial sector energy and emissions scenarios. The IET takes a simplified approach to developing scenario projections of energy and emissions by allowing users to modify pre-populated inputs for achieved energy efficiency, rate of equipment stock turnover, and future penetration renewable electricity. In addition to its transparency and flexibility, the strengths of the IET lie in its geographically- and operationally-disaggregated data set. The IET's foundational data is built on energy data first calculated at the facility- and technology-level for many of the largest energy-using industries. These data are then aggregated to the county and end-use level with other publicly-available data for use in scenarios estimated by the IET.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Commercial Research and Development: Power to Explore, Opportunities from Discovery

The technical and economic goals of commercial use of space are laudable, and are addressed as a high priority by almost every national space program and most major aerospace companies the world over. Yet, the focus of most organizational agendas and discussions tends to focus on one or two very narrow enabling aspects of this potentially large technological and economic opportunity. While government sponsored commercial launch activities and private space platforms are an integral part of efforts to leverage the commercial use of space, these activities are possibly one of the smallest parts of creating, a viable and sustainable market for the commercial use of space. Most of the current programs usually do not appropriately address some of the critical issues of the current, already interested, potential space user communities. Current programs place the focus of the majority of the user requirements on the vehicle payload weight and mass performance considerations as the primary payload economical factor in providing a commercial market with a stimulating price for gaining access to the space environment. The larger user challenges of transformation from Earth-based research and development approaches to space environment approaches are not addressed early enough in programs to impact the new business considerations of potential users. Currently, space-based research and development user activities require a large user investment in time, in development of new areas of support expertise, in development of new systems, in risk of schedule to completion, and in long term capital positioning. The larger opportunities for stimulating a strong market driven interest in commercial use of space that could result from the development of vehicle payload "leap ahead technologies" for users are being missed, and there is a real risk of limiting the potentially broader market base to support a more technologically advanced and economically lucrative outcome. A major driving force for strengthening the commercial space activities is not only the technological advances in launch vehicle, or newer satellites, but the myriad of enabling payloads technologies that could, as a goal, result in an almost transparent facilitation to regular CD a, -n access to space and microgravity environments by the future users from the existing Earth-based research and development organizations market segments. Rather than focusing only on developing high lift performance launch vehicles and then developing payloads to fit them, the real focus from a business model perspective should to be on the customer payloads requirements, and on designing launch vehicles and platforms systems for a space transportation and facility infrastructure to support all aspects of the business model for the user market. To harness the full potential of space commercialization, new efforts need to be made to comprehensively examine all the critical business model areas for commercial research, development, and manufacturing in space so as to identify specific products and efforts; to determine how such operations must be both similar to and different from current Earth-based activities; to evaluate the enabling technological devices, processes and efforts so that like efforts can be addressed in a synergistic fashion for maximum user cost effectiveness; to delineate the services that are both needed and can be provided by such activities; and to use this information to drive design and development of space commercialization efforts and policy.

Casas, Joseph C.↗

Atmospheric Radiation Measurement Climate Research Facility Operations Quarterly Report July 1–September 30, 2011

Individual raw datastreams from instrumentation at the Atmospheric Radiation Measurement (ARM) Climate Research Facility fixed and mobile sites are collected and sent to the Data Management Facility (DMF) at Pacific Northwest National Laboratory (PNNL) for processing in near real-time. Raw and processed data are then sent approximately daily to the ARM Archive, where they are made available to users. For each instrument, we calculate the ratio of the actual number of processed data records received daily at the Archive to the expected number of data records. The results are tabulated by (1) individual datastream, site, and month for the current year and (2) site and fiscal year (FY) dating back to 1998.

54 ENVIRONMENTAL SCIENCES↗

DORCA computer program. Volume 1: User's guide

The Dynamic Operational Requirements and Cost Analysis Program (DORCA) was written to provide a top level analysis tool for NASA. DORCA relies on a man-machine interaction to optimize results based on external criteria. DORCA relies heavily on outside sources to provide cost information and vehicle performance parameters as the program does not determine these quantities but rather uses them. Given data describing missions, vehicles, payloads, containers, space facilities, schedules, cost values and costing procedures, the program computes flight schedules, cargo manifests, vehicle fleet requirements, acquisition schedules and cost summaries. The program is designed to consider the Earth Orbit, Lunar, Interplanetary and Automated Satellite Programs. A general outline of the capabilities of the program are provided.

Wray, S. T., Jr.↗

Agentic artificial intelligence for multistage physics experiments at a large-scale user facility particle accelerator

We present a language-model-driven agentic artificial intelligence (AI) system to autonomously execute multistage physics experiments on a production synchrotron light source. Implemented at the Advanced Light Source particle accelerator, the system translates natural language user prompts into structured execution plans that combine archive data retrieval, control-system channel resolution, automated script generation, controlled machine interaction, and analysis. In a representative machine physics task, we show that preparation time was reduced by 2 orders of magnitude relative to manual scripting even for a system expert, while operator-standard safety constraints were strictly upheld. Core architectural features, plan-first orchestration, bounded tool access, and dynamic capability selection, enable transparent, auditable execution with fully reproducible artifacts. These results establish a blueprint for the safe integration of agentic AI into accelerator experiments and demanding machine physics studies, as well as routine operations, with direct portability across accelerators worldwide and, more broadly, to other large-scale scientific infrastructures.

Accelerator/storage ring control systems↗

DFT+U Study on the Localized Electronic States and Their Potential Role During H2O Dissociation and CO Oxidation Processes on CeO2(111) Surface

We present the results of an extensive density functional theory based electronic structure study of the role of 4f-state localized electron states in the surface chemistry of a partially reduced CeO2(111) surface. These electrons exist as polaronic states, residing of Ce3+ sites, which can be created by either the formation of oxygen vacancies, OV, or other surface defects. Via ab initio molecular dynamics these localized electrons are found to be able to move freely within the upper surface layer but penetration into the bulk is prohibited as a result of the higher elastic strain induced by creating a subsurface Ce3+ defect. We found that water molecules can be easily dissociated into two surface bound hydroxyls at the Ce4+ site associated with OV sites and the dissociation process does not significantly affect the electronic structure of the reduced surface. In the presence of water, a proton-mediated Mars-van Krevelen mechanism for CO oxidation via the formation of bicarbonate species is identified. Overall we find that surface hydroxyls formed via water dissociation at CeO2 surface lead to inhabitation of the CO oxidation reaction. This is consistent with the experimental observation of requisite elevated temperatures, on the order of 600K, for this reaction to occur. Part of this work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences and performed at the Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for DOE by Battelle. J. Li and Y.-G. Wang were also financially supported by NKBRSF (2011CB932400) and NSFC (91026003, 21101098) of China. Y.-G. Wang acknowledges the fellowship from China Scholarship Council and the PNNL-ASF fellowship program. Computational resources were provided at W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at PNNL and the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory.

Environmental Molecular Sciences Laboratory↗

A new, low temperature long-pass cell for mid-infrared to terahertz spectroscopy and synchrotron radiation use

A new cell has been designed for accurate spectroscopic measurements in the 80–400 K temperature range with variable path lengths from 3 to more than 141 m. The spectral coverage at these temperatures ranges from the visible to less than 10 cm{sup −1}, thanks to the use of diamond windows. The design of the cryostat and vacuum setups allows vibration-free operation. The equipment provides temperature homogeneity and pressure control to better than 2% over the 100–400 K and the 0.1–1000 mbar ranges. Remote-controlled opto-mechanical systems enable in situ adjustments as well as changes of the optical path length within half an hour, in order to optimize measurement time in an open user facility. It allows then to meet the specific requirements of high resolution measurements on the Far-Infrared AILES beamline at SOLEIL as well at the LISA facility, in Créteil, in the mid-IR. This new instrument opens up the way for many experiments in the field of high-resolution gas-phase IR spectroscopy, in particular, in quantitative spectroscopy for atmospheric applications: measurements of absorption line parameters (absolute intensities, cross sections, and pressure-induced widths) using Fourier transform spectroscopy. The design and performance of the equipment are briefly presented and illustrated on spectroscopic examples.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

HPC Annual Report 2017

Sandia National Laboratories has a long history of significant contributions to the high performance community and industry. Our innovative computer architectures allowed the United States to become the first to break the teraFLOP barrier—propelling us to the international spotlight. Our advanced simulation and modeling capabilities have been integral in high consequence US operations such as Operation Burnt Frost. Strong partnerships with industry leaders, such as Cray, Inc. and Goodyear, have enabled them to leverage our high performance computing (HPC) capabilities to gain a tremendous competitive edge in the marketplace. As part of our continuing commitment to providing modern computing infrastructure and systems in support of Sandia missions, we made a major investment in expanding Building 725 to serve as the new home of HPC systems at Sandia. Work is expected to be completed in 2018 and will result in a modern facility of approximately 15,000 square feet of computer center space. The facility will be ready to house the newest National Nuclear Security Administration/Advanced Simulation and Computing (NNSA/ASC) Prototype platform being acquired by Sandia, with delivery in late 2019 or early 2020. This new system will enable continuing advances by Sandia science and engineering staff in the areas of operating system R&D, operation cost effectiveness (power and innovative cooling technologies), user environment and application code performance.

97 MATHEMATICS AND COMPUTING↗

High Pressure Hydrogen Nozzle Assembly and Dispenser for Heavy Duty Vehicles (Final Technical Report)

Electricore, Inc. along with partners Bennett Pump Company (Bennett), WEH Technologies, Inc. (WEH), National Renewable Energy Laboratory (NREL), and Quong & Associates, Inc. (QAI) have developed a high-pressure hydrogen nozzle assembly and dispenser for heavy-duty (HD) vehicles. The system was installed, tested and demonstrated at NREL’s Hydrogen Infrastructure Testing and Research Facility (HITRF). The system was designed to have a maximum operating pressure of 87.5 MPa and an approximate average flow rate of 10 kg/min over 10 minutes at fuel temperatures of -40°C. To further develop the specifications and design of the system, the team performed an industry survey to ensure the system met the needs of potential users.

08 HYDROGEN↗

2025 Atmospheric Radiation Measurement (ARM) Annual Report

ARM is a multi-laboratory, U.S. Department of Energy (DOE) Office of Science user facility and a key contributor to atmospheric research efforts. For more than 30 years, ARM has supported the DOE and Office of Science missions by providing atmospheric observations to enable scientific discovery, transform our understanding of the atmosphere, and evaluate and improve the accuracy of atmospheric models. ARM’s cutting-edge capabilities for scientists include continuously operating ground-based observatories, aerial observation platforms, and high performance computing.

54 ENVIRONMENTAL SCIENCES↗

Fluid Physical and Transport Phenomena Studies aboard the International Space Station: Planned Experiments

This paper provides an overview of the microgravity fluid physics and transport phenomena experiments planned for the International Spare Station. NASA's Office of Life and Microgravity Science and Applications has established a world-class research program in fluid physics and transport phenomena. This program combines the vast expertise of the world research community with NASA's unique microgravity facilities with the objectives of gaining new insight into fluid phenomena by removing the confounding effect of gravity. Due to its criticality to many terrestrial and space-based processes and phenomena, fluid physics and transport phenomena play a central role in the NASA's Microgravity Program. Through widely publicized research announcement and well established peer-reviews, the program has been able to attract a number of world-class researchers and acquired a critical mass of investigations that is now adding rapidly to this field. Currently there arc a total of 106 ground-based and 20 candidate flight principal investigators conducting research in four major thrust areas in the program: complex flows, multiphase flow and phase change, interfacial phenomena, and dynamics and instabilities. The International Space Station (ISS) to be launched in 1998, provides the microgravity research community with a unprecedented opportunity to conduct long-duration microgravity experiments which can be controlled and operated from the Principal Investigators' own laboratory. Frequent planned shuttle flights to the Station will provide opportunities to conduct many more experiments than were previously possible. NASA Lewis Research Center is in the process of designing a Fluids and Combustion Facility (FCF) to be located in the Laboratory Module of the ISS that will not only accommodate multiple users but, allow a broad range of fluid physics and transport phenomena experiments to be conducted in a cost effective manner.

Singh, Bhim S.↗

Telescience Support Center Data System Software

The Telescience Support Center (TSC) team has developed a databasedriven, increment-specific Data Require - ment Document (DRD) generation tool that automates much of the work required for generating and formatting the DRD. It creates a database to load the required changes to configure the TSC data system, thus eliminating a substantial amount of labor in database entry and formatting. The TSC database contains the TSC systems configuration, along with the experimental data, in which human physiological data must be de-commutated in real time. The data for each experiment also must be cataloged and archived for future retrieval. TSC software provides tools and resources for ground operation and data distribution to remote users consisting of PIs (principal investigators), bio-medical engineers, scientists, engineers, payload specialists, and computer scientists. Operations support is provided for computer systems access, detailed networking, and mathematical and computational problems of the International Space Station telemetry data. User training is provided for on-site staff and biomedical researchers and other remote personnel in the usage of the space-bound services via the Internet, which enables significant resource savings for the physical facility along with the time savings versus traveling to NASA sites. The software used in support of the TSC could easily be adapted to other Control Center applications. This would include not only other NASA payload monitoring facilities, but also other types of control activities, such as monitoring and control of the electric grid, chemical, or nuclear plant processes, air traffic control, and the like.

Rahman, Hasan↗

Key Decision Record Creation and Approval Module

Retaining good key decision records is critical to ensuring the success of a project or operation. Having adequately documented decisions with supporting documents and rationale can greatly reduce the amount of rework or reinvention over a project's, vehicle's, or facility's lifecycle. Stennis Space Center developed and uses a software tool that automates the Key Decision Record (KDR) process for its engineering and test projects. It provides the ability for a user to log key decisions that are made during the course of a project. By customizing Parametric Technology Corporation's (PTC) Windchill product, the team was able to log all information about a decision, and electronically route that information for approval. Customizing the Windchill product allowed the team to directly connect these decisions to the engineering data that it might affect and notify data owners of the decision. The user interface was created in JSP and Javascript, within the OOTB (Out of the Box) Windchill product, allowing users to create KDRs. Not only does this interface allow users to create and track KDRs, but it also plugs directly into the OOTB ability to associate these decision records with other relevant engineering data such as drawings, designs, models, requirements, or specifications

Hebert, Barrt↗

Microstructure of In-Core Molten Salt Corrosion Hastelloy N{sup R} and 316 Stainless Steel

Since 2011, many materials have been discussed for potential application in Fluoride salt-cooled High-temperature nuclear Reactors (FHRs), which are emerging as leading reactor concept for the next generation of nuclear reactors thanks to the benefits of a high degree of passive safety, high thermal efficiency, and low spent fuel volume. Among these discussed materials, Hastelloy N{sup R} and 316L stainless steel have been selected as the most likely candidate alloys for FHRs. To provide direct experience in integrating a real system using molten FLiBe salt for reactor operation, these two candidate alloys were experimentally tested in Li-7 enriched Li{sub 2}BeF{sub 4} (FLiBe) molten salt in the core of MIT Research Reactor (MITR) at 700 deg. C for 1000 hours. After in-core corrosion testing, some basic post-irradiation examinations (PIE) including weight change per unit area and surface profile as well as surface morphology were conducted in the MIT Nuclear Reactor Laboratory (NRL) and compared with out-of-reactor corrosion samples. The deep understanding of these alloys in high-temperature molten salt with strong neutron irradiation requires further microstructural analysis such as electron microscopy and energy dispersive spectroscopy on the surface and cross-section of the in-core corrosion tested samples. The challenge in the microstructural analysis is due to the high radioactivity from the gamma emitting isotopes formed in alloys during neutron irradiation. Additionally, the facilities that are authorized for radioactive materials are very limited on campus. In this study, the microstructure of the in-core corrosion tested Hastelloy N{sup R} and 316L stainless steel specimen was analyzed by using the facilities at the Center for Advanced Energy Studies (CAES) at Idaho National Laboratory (INL) through the Nuclear Science User Facilities (NSUF) Rapid Turnaround Experiment (RTE) program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Technology to Establish a Factory for High QE Alkali Antimonide Photocathodes

Intense electron beams are key to a large number of scientific endeavors, including electron cooling of hadron beams, electron-positron colliders, secondary-particle beams such as photons and positrons, sub-picosecond ultrafast electron diffraction (UED), and new high gradient accelerators that use electron-driven plasmas. The last decade has seen a considerable interest in pursuit and realization of novel light sources such as Free Electron Lasers [1] and Energy Recovery Linacs [2] that promise to deliver unprecedented quality x-ray beams. Many applications for high-intensity electron beams have arisen in recent years in high-energy physics, nuclear physics and energy sciences, such as recent designs for an electron-hadron collider at CERN (LHeC) [3], and beam coolers for hadron beams at LHC and eRHIC [4,5]. Photoinjectors are used at the majority of high-brightness electron linacs today, due to their efficiency, timing structure flexibility and ability to produce high power, high brightness beams. The performance of light source machines is strongly related to the brightness of the electron beam used for generating the x-rays. The brightness of the electron beam itself is mainly limited by the physical processes by which electrons are generated. For laser based photoemission sources this limit is ultimately related to the properties of photocathodes [6]. Most facilities are required to expend significant manpower and money to achieve a workable, albeit often non-ideal, compromise photocathode solution. If entirely fabricated in-house, the photocathode growth process itself is laborious and not always reproducible: it involves the human element while requiring close adherence to recipes and extremely strict control of deposition parameters. Lack of growth reliability and as a consequence, slow adoption of viable photoemitter types, can be partly attributed to the absence of any centralized facility or commercial entity to routinely provide high peak current capable, low emittance, visible-light sensitive photocathodes to the myriad of source systems in use and under development. Successful adoption of photocathodes requires strict adherence to proper fabrication, operation, and maintenance methodologies, necessitating specialized knowledge and skills. Key issues include the choice of photoemitter material, development of a more streamlined growth process to minimize human operator uncertainties, accommodation of varying photoemitter substrate materials and geometries, efficient transport and insertion mechanisms preserving the photo-yield, and properly conveyed photoemitter operational and maintenance methodologies. AES, in collaboration with Cornell University in a Phase I STTR, developed an on-demand industrialized growth and centralized delivery system for high-brightness photocathodes focused upon the alkali antimonide photoemitters. To the end user, future photoemitter sourcing will become as simple as other readily available consumables, rather than a research project requiring large investments in time and personnel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Materials, processes, and environmental engineering network

The Materials, Processes, and Environmental Engineering Network (MPEEN) was developed as a central holding facility for materials testing information generated by the Materials and Processes Laboratory. It contains information from other NASA centers and outside agencies, and also includes the NASA Environmental Information System (NEIS) and Failure Analysis Information System (FAIS) data. Environmental replacement materials information is a newly developed focus of MPEEN. This database is the NASA Environmental Information System, NEIS, which is accessible through MPEEN. Environmental concerns are addressed regarding materials identified by the NASA Operational Environment Team, NOET, to be hazardous to the environment. An environmental replacement technology database is contained within NEIS. Environmental concerns about materials are identified by NOET, and control or replacement strategies are formed. This database also contains the usage and performance characteristics of these hazardous materials. In addition to addressing environmental concerns, MPEEN contains one of the largest materials databases in the world. Over 600 users access this network on a daily basis. There is information available on failure analysis, metals and nonmetals testing, materials properties, standard and commercial parts, foreign alloy cross-reference, Long Duration Exposure Facility (LDEF) data, and Materials and Processes Selection List data.

White, Margo M.↗

Application of deep learning methods for beam size control during user operation at the Advanced Light Source

Past research at the Advanced Light Source (ALS) provided a proof-of-principle demonstration that deep learning methods could be effectively employed to compensate for the significant perturbations to the transverse electron beam size induced by user-controlled adjustments of the insertion devices. However, incorporating these methods into the ALS’ daily operations has faced notable challenges. The complexity of the system’s operational requirements and the significant upkeep demands has restricted their sustained application during user operation. Here, we introduce the development of a more robust neural network (NN)-based algorithm that utilizes a novel online fine-tuning approach and its systematic integration into the day-to-day machine operations. Our analysis emphasizes the process of NN model selection, demonstrates the superior performance of the NN-based method over traditional feedback methods, and examines the effectiveness and resilience of the new algorithm during user-operation scenarios. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

Selecting a Control Strategy for Plug and Process Loads

Plug and Process Loads (PPLs) are building loads that are not related to general lighting, heating, ventilation, cooling, and water heating, and typically do not provide comfort to the building occupants. PPLs in commercial buildings account for almost 5% of U.S. primary energy consumption. On an individual building level, they account for approximately 25% of the total electrical load in a minimally code-compliant commercial building, and can exceed 50% in an ultra-high efficiency building such as the National Renewable Energy Laboratory's (NREL) Research Support Facility (RSF) (Lobato et al. 2010). Minimizing these loads is a primary challenge in the design and operation of an energy-efficient building. A complex array of technologies that measure and manage PPLs has emerged in the marketplace. Some fall short of manufacturer performance claims, however. NREL has been actively engaged in developing an evaluation and selection process for PPLs control, and is using this process to evaluate a range of technologies for active PPLs management that will cap RSF plug loads. Using a control strategy to match plug load use to users' required job functions is a huge untapped potential for energy savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗