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Packaged CHP eCatalog

This fact sheet introduces DOE’s open-source Packaged Combined Heat and Power (CHP) eCatalog, which allows users and consulting engineers to view DOE-recognized Packaged CHP systems based on their needs. It was developed as part of DOE’s Packaged CHP Accelerator.

CHP, Combined Heat and Power, State Government, Lo↗

Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing (Final Report)

This project assembles a strong U.S. industry and national laboratory team to complete scope of work. Kairos Power (KP), headquartered in Alameda, CA, is the leader of this effort and has built an internal team of highly competent engineers and managers with extensive combined experience in nuclear power, conventional power, product development, and licensing. INL, ANL, and LANL bring unique capabilities in advanced reactor R&D and licensing. The project funding source is the result of FOA No. 0001817, U. S. Industry Opportunities for Advanced Nuclear Technology Development. There has been on-going work and this Access Cooperative Research and Development Agreement (CRADA) will cover the remaining work scope of FOA 0001817. KP is implementing innovative strategies that can reduce the cost and accelerate the initial demonstration of the Kairos Power Fluoride-salt-cooled, High-temperature Reactor (KP-FHR) to meet the needs of the U.S. electricity market by 2030. Licensing of the KP-FHR could be significantly accelerated using advanced computing methods with sufficient predictive capabilities to be able to extrapolate potential response of the structure in different scenarios. However, currently used computational methods heavily rely on empirical fits and cannot be used for extrapolation. The scope focuses on improving the modeling capability in the NEAMS Grizzly structural mechanics code and the NEAMS BISON fuel performance code and the NEAMS SAM systems analysis code. This work leverages the expertise and know-how gathered in three DOE National Laboratories – INL, ANL, and LANL.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Advanced Simulation and Computing: ASC FY24 Implementation Plan

The DOE National Nuclear Security Administration (NNSA) Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, security, and reliability of the U.S. nuclear stockpile. The SSP incorporates nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. The suite of data analyzed comes from activities including previous nuclear tests, stockpile surveillance, experimental research, and development and engineering programs. This integrated national program requires the continued use of experimental facilities and the computational capabilities to support the SSP missions. These component parts, in addition to an appropriately scaled production capability, enable NNSA to support stockpile requirements. The ultimate goal of the SSP, and thus of the Advanced Simulation and Computing (ASC) program, is to ensure that the U.S. maintains a safe, secure, and effective strategic deterrent. The ASC program is a cornerstone of the SSP, providing simulation capabilities and computational resources to support the annual stockpile assessment and certification process, study advanced nuclear weapons design and manufacturing processes, analyze accident scenarios and weapons aging, and provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This work requires a balance of resources, including technical staff, hardware, simulation software, and computer science solutions. The ASC program focuses on increasing the predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The Program continues to improve its unique tools for understanding and solving progressively more difficult stockpile problems (sufficient resolution, dimensionality, and scientific details), and quantifying critical margins and uncertainties. Resolving each issue requires increasingly difficult analyses because the aging process has progressively moved the stockpile further from the original test base. While the focus remains on the U.S. nuclear weapons program, where possible, the Program also enables the use of high-performance computing (HPC) and simulation tools to address broader national security needs, such as foreign nuclear weapon assessments and nuclear counterterrorism. The 2022 Nuclear Posture Review (NPR) calls for NNSA to “deliver a modern, adaptive nuclear security enterprise based on an integrated strategy for risk management, production-based resilience, science and technology innovation, and workforce initiatives.” Furthermore, “NNSA will establish a Science and Technology Innovation Initiative to accelerate the integration of science and technology (S&T) throughout its activities.” Executing this strategy necessitates the continued emphasis on developing and sustaining high-quality scientific and engineering staff, as well as supporting computational and experimental capabilities. These components constitute the foundation of the nuclear weapons program. The continued success of the SSP and LEPs is predicated upon the ability to credibly certify the stockpile, without a return to underground nuclear tests (UGTs). Shortly after the nuclear test moratorium entered into force in 1992, the Accelerated Strategic Computing Initiative (ASCI) was established to provide an extensive simulation capability to underpin stockpile certification. While computing and simulation have always been essential to the success of the nuclear weapons program, the program goal of ASCI was to execute NNSA’s vision of using these tools in support of the stockpile stewardship mission. The ASCI program was essential to the successful demonstration of the SSP, providing critical nuclear weapons simulation and modeling capabilities. ASCI officially evolved into the ASC program in fiscal year (FY) 2005, but the mission remains essentially the same: provide the simulation and computational capabilities that underpin the ability to maintain a safe, secure, effective nuclear weapon stockpile, without returning to underground nuclear testing. The capabilities that the ASC program provides at the national laboratories play a vital role in the nuclear security enterprise and are necessary for fulfilling the stockpile stewardship and life extension requirements outlined for NNSA. The Program develops modern simulation tools that provide insights into stockpile aging issues, provide the computational and simulation tools that enable designers and analysts to certify the current stockpile and life-extended nuclear weapons, and inform the decision-making process when any modifications in nuclear warheads or the associated manufacturing processes are deemed necessary. Furthermore, ASC is enhancing the predictive simulation capabilities that are essential to evaluate weapons effects, design experiments, and ensure test readiness. The ASC program continues to improve its unique tools to solve stockpile problems— with a focus on sufficient resolution, dimensionality, and scientific detail—to enable Quantification of Margins and Uncertainties (QMU) and to resolve the increasingly difficult analyses needed for stockpile stewardship. The needs of the Stockpile Management and Production Modernization programs (formerly Directed Stockpile Work) also drive the requirements for simulation and computational resources. These requirements include planned LEPs, stockpile support activities, and mitigation efforts against the potential for technical surprise. All of the weapons within the current stockpile are in some stage of the life extension process. The simulation and computational capabilities are crucial for successful execution of these life extensions and for ensuring NNSA can certify these life-extended weapons without conducting a UGT.

97 MATHEMATICS AND COMPUTING↗

Mass-driver reaction engine as Shuttle upper-stage

Optimization has been carried out on the design of a mass-driver intended for upgrading the Shuttle to geosynchronous and lunar-orbit capability. The machine accelerates 2,100 tons/yr of external tankage, in 14-gram segments, to exhaust velocities of 8,000-10,000 m/s. The resulting reaction force raises 1,700 tons/yr. of Shuttle payloads to high orbit, in two round trips. Exhaust velocity and thrust can be optimized for each mission segment. For a mission requiring an exhaust velocity of 8,000 m/sec, thrust is 560 newtons, power is 2.9 megawatts, and efficiency is 75%. Total electrical component mass including power supplies and waste-heat radiators is 89 tons. To insure that reaction mass does not constitute a hazard, segments may be in the form of powder, electrostatically dispersed after acceleration, and/or thrust may be vectored.

Oneill, G. K.↗

Propellant Flow Actuated Piezoelectric Igniter for Combustion Engines

A propellant flow actuated piezoelectric igniter device using one or more hammer balls retained by one or more magnets, or other retaining method, until sufficient fluid pressure is achieved to release and accelerate the hammer ball, such that it impacts a piezoelectric crystal to produce an ignition spark. Certain preferred embodiments provide a means for repetitively capturing and releasing the hammer ball after it impacts one or more piezoelectric crystals, thereby oscillating and producing multiple, repetitive ignition sparks. Furthermore, an embodiment is presented for which oscillation of the hammer ball and repetitive impact to the piezoelectric crystal is maintained without the need for a magnet or other retaining mechanism to achieve this oscillating impact process.

Wollen, Mark A.↗

Experimental and Computational Insights into the Structural Dynamics of the Fc Fragment of IgG1 Subtype from Biosimilar VEGF‐Trap

The constant fragment (Fc) of the immunoglobulin G1 (IgG1) subtype is increasingly recognized as a crucial scaffold in the development of advanced therapeutics due to its enhanced specificity, efficacy, and extended half‐life. A prime example is VEGF‐Trap (Aflibercept), a recombinant fusion protein that merges the Fc region of the IgG1 subtype with the binding domains of vascular endothelial growth factor receptors (VEGFR)‐1 and VEGFR‐2. The Fc region's role in N‐glycosylation is particularly important, as it significantly influences protein stability. Herein, the first near‐physiological temperature structures of the N‐glycan‐bound Fc fragment of IgG1 subtype from a biosimilar VEGF‐Trap are presented, determined using the SPring‐8 Angstrom Compact free electron LAser (SACLA) and the Turkish Light Source (Turkish DeLight). Comparative analysis with cryogenic structures, including existing data, reveals alternate conformations within the glycan‐binding pocket. Furthermore, molecular dynamics simulations indicate the presence of a high degree of structural plasticity, explaining how the protein adapts its structure through conformational changes. The observed structural fluctuations/conformational changes demonstrate the effect of N‐glycans on protein stability. These findings offer new insights into the molecular basis of Fc‐mediated functions and provide valuable information for the design of next‐generation therapeutics.

60 APPLIED LIFE SCIENCES↗

Overview of NASA's Solar Electric Propulsion Project

NASA is continuing to develop and qualify a state of the art 13 kW-class Advanced Electric Propulsion System (AEPS) for NASA exploration missions through a contract with Aerojet Rocketdyne. An objective of the AEPS project is to empower the US space industry to accelerate the adoption of high power electric propulsion technologies by reducing the risk and uncertainty of integrating Solar Electric Propulsion (SEP) technologies into space flight systems. NASA and AEPS contract has recently initiated engineering hardware testing of the Hall Current Thruster (HCT), Power Processing Unit (PPU), and Xenon Flow Controller (XFC) at both the component and system levels. The successful completion of these tests will provide the required information to advance the AEPS system towards Critical Design Review. In support of the AEPS contract, NASA and JPL have been performing risk reduction activities to address specific concerns of the state of the art higher power Hall thruster propulsion system. These risk reduction activities have included long duration wear testing of the Technology Demonstration Unit (TDU) Hall thruster and cathode hardware, thermal cycling testing of TDU cathode heaters and coils, plasma plume measurements, and investigating PPU design. In addition to NASA propulsion development, the SEP project is developing the Plasma Diagnostic Package (PDP) and the SEP Testbed. The PDP is designed for use in conjunction with a high powered EP system to characterize in-space operation. The SEP Testbed system is developed for demonstration of Abstract: NASA is continuing to develop and qualify a state of the art 13 kW-class Advanced Electric Propulsion System (AEPS) for NASA exploration missions through a contract with Aerojet Rocketdyne. An objective of the AEPS project is to empower the US space industry to accelerate the adoption of high power electric propulsion technologies by reducing the risk and uncertainty of integrating Solar Electric Propulsion (SEP) technologies into space flight systems. NASA and AEPS contract has recently initiated engineering hardware testing of the Hall Current Thruster (HCT), Power Processing Unit (PPU), and Xenon Flow Controller (XFC) at both the component and system levels. The successful completion of these tests will provide the required information to advance the AEPS system towards Critical Design Review. In support of the AEPS contract, NASA and JPL have been performing risk reduction activities to address specific concerns of the state of the art higher power Hall thruster propulsion system. These risk reduction activities have included long duration wear testing of the Technology Demonstration Unit (TDU) Hall thruster and cathode hardware, thermal cycling testing of TDU cathode heaters and coils, plasma plume measurements, and investigating PPU design. In addition to NASA propulsion development, the SEP project is developing the Plasma Diagnostic Package (PDP) and the SEP Testbed. The PDP is designed for use in conjunction with a high powered EP system to characterize in-space operation. The SEP Testbed system is developed for demonstration of an integrated SEP end-to-end system performance. The paper will present an overview of the NASA and the AEPS contract activities and a summary of the associated NASA in-house activities.

Plasma Diagnostics Package↗

Grain engineering for efficient near-infrared perovskite light-emitting diodes

Metal halide perovskites show promise for next-generation light-emitting diodes, particularly in the near-infrared range, where they outperform organic and quantum-dot counterparts. However, they still fall short of costly III-V semiconductor devices, which achieve external quantum efficiencies above 30% with high brightness. Among several factors, controlling grain growth and nanoscale morphology is crucial for further enhancing device performance. This study presents a grain engineering methodology that combines solvent engineering and heterostructure construction to improve light outcoupling efficiency and defect passivation. Solvent engineering enables precise control over grain size and distribution, increasing light outcoupling to ~40%. Constructing 2D/3D heterostructures with a conjugated cation reduces defect densities and accelerates radiative recombination. The resulting near-infrared perovskite light-emitting diodes achieve a peak external quantum efficiency of 31.4% and demonstrate a maximum brightness of 929 W sr -1 m -2 . These findings indicate that perovskite light-emitting diodes have potential as cost-effective, high-performance near-infrared light sources for practical applications.

42 ENGINEERING↗

Evaluating and predicting molecular mechanisms of adhesive degradation during field and accelerated aging of photovoltaic modules

Extending photovoltaic (PV) module lifetimes beyond 30 years is a goal of significant priority. A challenge that must first be addressed, however, is the development of a predictive reliability model that captures the synergy of terrestrial stressors on module degradation, particularly at encapsulant interfaces. Using a metrology designed specifically for PV modules, a comprehensive study of the widely used ethylene vinyl acetate encapsulant was performed in which encapsulant adhesion was evaluated as a function of environmental stressors (UV exposure, temperature, and humidity) for modules aged both under accelerated lab and internationally located field conditions for months to nearly 3 decades. Mechanical and chemical characterization methods are combined with fundamental polymer reaction engineering to unravel the degradation processes active at the molecular scale that lead to encapsulant delamination. An analytical and modular model framework is put forward enabling the prediction of long-term PV module durability, starting from fundamental principles at the molecular level and explicitly accounting for bond rupture events in the bulk encapsulant and at the encapsulant interfaces. Successful parameter tuning to adhesion data indicates a dominant occurrence of deacetylation, β-scission, and hydrolytic depolymerization, respectively. The model contributes to the longstanding challenge of predicting module lifetimes in any geographic location while minimizing time-consuming and costly aging studies.

14 SOLAR ENERGY↗

Thermionic microwave gun for terahertz and synchrotron light sources

Conventional thermionic microwave and radiofrequency (RF) guns can offer high average beam current, which is important for synchrotron light and terahertz (THz) radiation source facilities, as well as for industrial applications. For example, the Advanced Photon Source at Argonne National Laboratory is a national synchrotron radiation light source research facility that utilizes thermionic RF guns. Yet, these existing thermionic guns are bulky, difficult to handle and install, easily detuned, very sensitive to thermal expansion, and are due for a major upgrade and replacement. Here, we present the design of a new, more stable and reliable gun with optimized electromagnetic performance, improved thermal engineering and a more robust cathode mounting technique, which is a critical step to improve the performance of existing and future light sources, industrial accelerators, and electron beam-driven terahertz sources. We will also present a fabricated gun prototype and show results of high-power and beam tests.

47 OTHER INSTRUMENTATION↗

Detailed simulations of the first deuterium-tritium-filled double shell implosions on the National Ignition Facility

The first indirectly driven, liquid DT-filled double shell inertial confinement fusion (ICF) implosions have recently been successfully performed on the National Ignition Facility (NIF). Double shells are a class of alternative designs that use a low-Z outer shell to compress a foam cushion that accelerates a high-Z inner shell to efficiently compress a liquid DT core. Double shells are challenging to fabricate, field, and model. Important engineering features enabling double shell fabrication include a fill-tube penetrating all shells and a carefully designed and very narrow (few μm) step-joint in the ablator. Due to the higher density materials involved, high Atwood number instabilities are also important at many material interfaces. In this paper, numerical simulations of double shell implosions using the Los Alamos National Laboratory multi-physics radiation-hydrodynamics code xRAGE will be discussed. An extensive effort has been under way for several years to develop the code capabilities for ICF simulations in a common modeling framework to allow ease of simulation setup and standardization of the computational methodology. This paper will present a wide range of simulation results capturing, quantifying, and comparing the impact of all these degradation mechanisms on implosion performance. Brief comparisons with recent experimental results and suggestions for future improvements will also be discussed. Our results suggest that capsule surface roughness and the step-joint gap have the largest impact on implosion performance. Initial experimental data may suggest that the sensitivity to the step-joint gap could provide the dominant explanation for DT-filled double shell experiments that have been fielded on NIF thus far.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Accelerating Scientific Workflows on HPC Platforms with In Situ Processing

Scientific workflows drive most modern large-scale science breakthroughs by allowing scientists to define their computations as a set of jobs executed in a given order based on their data dependencies. Workflow management systems (WMSs) have become key to automating scientific workflows-executing computational jobs and orchestrating data transfers between those jobs running on complex high-performance computing (HPC) platforms. Traditionally, WMSs use files to communicate between jobs: a job writes out files that are read by other jobs. However, HPC machines face a growing gap between their storage and compute capabilities. To address that concern, the scientific community has adopted a new approach called in situ, which bypasses costly parallel filesystem I/O operations with faster in-memory or in-network communications. When using in situ approaches, communication and computations can be interleaved. In this work, we leverage the Decaf in situ dataflow framework to accelerate task-based scientific workflows managed by the Pegasus WMS, by replacing file communications with faster MPI messaging. We propose a new execution engine that uses Decaf to manage communications within a sub-workflow (i.e., set of jobs) to optimize inter-job communications. We consider two workflows in this study: (i) a synthetic workflow that benchmarks and compares file- and MPI-based communication; and (ii) a realistic bioinformatics workflow that computes mu-tational overlaps in the human genome. Experiments show that in situ communication can improve the bioinformatics workflow execution time by 22% to 30% compared with file communication. Our results motivate further opportunities and challenges for bridging traditional WMSs with in situ frameworks.

Decaf↗

Effects of Water Contamination on Micropitting and Rolling Contact Fatigue of Bearing Steels

Abstract In this research, the effects of water contamination in oil were investigated on two kinds of failures that occur in bearing steel: micropitting and rolling contact fatigue. Whereas the presence of water in the oil had little effect on the generation of surface wear in these experiments, increases in the occurrences of micropitting and rolling contact fatigue were observed due to the presence of either dissolved or free water in lubricants. Additionally, the presence of white etching matter at crack interfaces was observed and evaluated. The experimental results showed that water content can be considered as a significant factor that accelerates the formation of micropitting and fatigue cracks in rolling bearings.

Engineering↗

Smart Manufacturing Pathways for Industrial Decarbonization and Thermal Process Intensification

Rapid decarbonization is fast becoming the primary environmental and sustainability initiative for many economic sectors. Industry consumes more than 30 % of all primary energy in the United States and accounts for nearly 25 % of all greenhouse gas (GHG) emissions. More than 70 % of energy consumed by the industrial sector is related to thermal processes, which are also the largest contributors of carbon emissions, overwhelmingly due to the combustion of fossil fuels. Thermal process intensification (TPI) seeks to dramatically improve the energy performance of thermal systems through technology pillars focusing on alternative energy sources and processes, supplemental technologies, and waste heat management. The impacts of TPI have significant overlap with the goals of industrial decarbonization (ID) that seeks to phase out all GHG emissions from industrial activities. Emerging supplemental technologies such as smart manufacturing (SM) and the industrial internet of things (IoT) enable significant opportunities for the optimization of manufacturing processes. Combining strategies for TPI and ID with SM and IoT can open and enhance existing opportunities for saving time and energy via approaches such as tighter control of temperature zones, better adjustment of thermal systems for variations in production levels and feedstock properties, and increased process throughput. Data collected by smart processes will also enable new advanced solutions such as digital twins and machine learning algorithms to further improve thermal system savings. Herein, this paper examines the individual pathways of TPI, ID, and SM and how the combination of all three can accelerate energy and GHG reductions.

42 ENGINEERING↗

Electrification FY2020 Annual Progress Report

The Electric Drive Technologies (EDT) program’s mission is to conduct early-stage research and development on transportation electrification technologies that accelerate the development of cost-effective and compact electric traction drive systems that meet or exceed performance and reliability requirements of internal combustion engine (ICE)-based vehicles, thereby enabling electrification across all light-duty vehicle types.

33 ADVANCED PROPULSION SYSTEMS↗

Modeling and Design of a Sub-Nyquist PDV Digitization System

Photon-Doppler Velocimetry (PDV) uses interferometry of a transmitted optical signal reflected from a fast-moving device under test (DUT) to generate a product signal at a doppler shifted frequency which is proportional to the velocity of the object being measured. The technique has applications in shock physics, where it is used to measure fast-moving objects over a short lifespan of travel, such as a bullet, shrapnel, or other shock accelerated object.

42 ENGINEERING↗

Electrification 2022 Annual Progress Report

The Electric Drive Technologies (EDT) program's mission is to conduct early-stage research and development on transportation electrification technologies that accelerate the development of cost-effective and compact electric traction drive systems that meet or exceed performance and reliability requirements of internal combustion engine (ICE)-based vehicles, thereby enabling electrification across all light-duty vehicle types. The Grid and Charging Infrastructure (G&I) program's mission is to conduct early-stage research and development on transportation electrification technologies that enable reduced petroleum consumption by light, medium, and heavy-duty vehicles. The program identifies and enables the role of vehicles in the future electrical grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗