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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.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Neutron resonance transmission analysis prototype system for thorium fuel cycle safeguards

Emerging thorium-based reactor designs and fuel cycles present challenges to traditional non-destructive assay techniques used in international safeguards. Specifically, assaying the masses of 233 U and 235 U when they are present together in samples with high gamma ray backgrounds is difficult because of similar passive neutron signatures and relatively weak gamma-ray emissions of 233 U. The Pacific Northwest National Laboratory (PNNL) and the Massachusetts Institute of Technology (MIT) are developing a compact neutron resonance transmission analysis (NRTA) system as one potential solution to these challenges. The NRTA technique provides isotopic information for a sample via neutron time-of-flight (TOF) measurements that exploit a sample’s epithermal neutron resonance cross-sections. A recently developed portable NRTA system uses a commercially available, pulsed deuterium-tritium neutron generator with a ~2 m flight path and a GS20 lithium glass scintillator detector. Finally, this paper describes the prototype NRTA system design, a refined radiation transport model of the system, preliminary measurements with thorium and uranium sources, and demonstration of a quantitative isotopic estimation algorithm.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

The Vacuum Cherenkov Detector (VCD) for γ-ray measurements in inertial confinement fusion experiments

Inertial confinement fusion experiments at both the National Ignition Facility (NIF) and the Laboratory for Laser Energetics OMEGA laser facility currently utilize Cherenkov detectors, with fused silica as the Cherenkov medium. At the NIF, the Quartz Cherenkov Detectors improve the precision of neutron time-of-flight measurements; and at OMEGA, the Diagnostic for Areal Density provides measurements of capsule shell areal densities. An inherent property of fused silica is the radiator’s relatively low energy threshold for Cherenkov photon production (E threshold < 1 MeV), making it advantageous over gas-based Cherenkov detectors for experiments requiring low-energy γ detection. The Vacuum Cherenkov Detector (VCD) has been specifically designed for efficient detection of low energy γ’s. Its primary use is in implosion experiments, which will study reactions relevant to stellar and big-bang nucleosynthesis, such as T( 4 He,γ) 7 Li, 4 He( 3 He,γ) 7 Be, and 12 C(p,γ) 13 N. Further, the VCD is compatible with LLE’s standard Ten-Inch Manipulator diagnostic insertion module. This work will outline the design and characterization of the VCD as well as provide results from recent experiments conducted at the OMEGA laser facility.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Accelerating Low-Income Financing and Transactions (LIFT) for Solar Access Everywhere (Final Technical Report)

The Accelerating Low-Income Financing and Transactions (LIFT) for Solar Access Everywhere project’s goal was to expand Low-to-Moderate Income (LMI) solar access for homeowners and renters. The LIFT project researched and gathered data on 453 LMI community solar project across the country. Following three years of research, the project delivered three groundbreaking research papers in June 2022, focused on 1) customer experience, 2) the growth of community solar programs, and 3) project-level financial best practices for serving LMI communities. These were followed by a user-friendly web-based Toolkit allowing users to interact with project data and key findings in November 2022. The customer experience research examined community solar subscribers’ primary motivations to join and remain satisfied with projects. Our research identified 453 projects across the country that dedicated some portion of the system capacity to LMI households. Seventeen of these projects participated in the LIFT customer experience research, allowing the project team to survey their customers and gain insight into how LMI subscribers feel about community solar and the programs that serve them. Subscribers in our sample indicated that the most critical issue that motivated them to participate in their program, however, was not savings but helping the environment. This was true for both LMI and non-LMI subscribers. Helping the environment was also the most important issue for LMI subscribers to measure how well their program was working for them. LIFT also explored how rapidly community solar has grown since its inception in 2006, publishing results in the Growth of U.S. Community Solar Serving LMI Households report. The results showed that community solar projects serving LMI households are one of the fastest growing segments of the solar industry. The report identifies and recommends ways developers should overcome real or perceived risks to LMI customer acquisition and subscriber management. Through the analysis of community solar project finance research, LIFT showed that most community solar projects serving LMI households are financed in the same ways mainstream community solar projects are financed. The value stacks and financial returns are no different, although LMI inclusion and participation rate varied across programs in our sample, ranging from between 10% and 100%. Based on the findings from the LIFT research, the team built a web-based user-friendly Toolkit, consisting of case studies, project finance best practices, and several tools built around the national dataset of 453 community solar projects that serve LMI households. These allow users to engage with the dataset in multiple ways; to explore the landscape of LMI community solar in the U.S., and to design community solar projects to optimize LMI inclusion, equity, and savings levels. The Toolkit also includes a library of LIFT-generated and LIFT-curated resources for users to learn more about how to best serve LMI communities through community solar. LIFT officially published the Toolkit on October 31, 2022, followed by a launch event (public webinar) on November 17, 2022. The core LIFT partners continue to engage in outreach and dissemination efforts to promote the LIFT Toolkit and research publications. Our driving motivation is to continue enabling solar developers to leverage the findings of this three-year research effort. By implication, the LIFT Toolkit is designed for use by utilities, energy service providers, and financiers or investors as a learning and decision-making tool to rapidly scale project models that optimize LMI inclusion and maximize real household savings.

14 SOLAR ENERGY↗
DOE OSTI2021

Enabling particle applications for exascale computing platforms

The Exascale Computing Project (ECP) is invested in co-design to assure that key applications are ready for exascale computing. Within ECP, the Co-design Center for Particle Applications (CoPA) is addressing challenges faced by particle-based applications across four “sub-motifs”: short-range particle–particle interactions (e.g., those which often dominate molecular dynamics (MD) and smoothed particle hydrodynamics (SPH) methods), long-range particle–particle interactions (e.g., electrostatic MD and gravitational N-body), particle-in-cell (PIC) methods, and linear-scaling electronic structure and quantum molecular dynamics (QMD) algorithms. Our crosscutting co-designed technologies fall into two categories: proxy applications (or “apps”) and libraries. Proxy apps are vehicles used to evaluate the viability of incorporating various types of algorithms, data structures, and architecture-specific optimizations and the associated trade-offs; examples include ExaMiniMD, CabanaMD, CabanaPIC, and ExaSP2. Libraries are modular instantiations that multiple applications can utilize or be built upon; CoPA has developed the Cabana particle library, PROGRESS/BML libraries for QMD, and the SWFFT and fftMPI parallel FFT libraries. Success is measured by identifiable “lessons learned” that are translated either directly into parent production application codes or into libraries, with demonstrated performance and/or productivity improvement. The libraries and their use in CoPA’s ECP application partner codes are also addressed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Active Learning Guided Computational Discovery of Plant-Based Redoxmers for Organic Nonaqueous Redox Flow Batteries

Organic nonaqueous redox flow batteries (ONRFBs) are promising energy storage devices due to their scalability and reliance on sourceable materials. However, finding suitable redox-active organic molecules (redoxmers) for these batteries remains a challenge. Using plant-based compounds as precursors for these redoxmers can decrease their costs and environmental toxicity. In this computational study, flavonoid molecules have been examined as potential redoxmers for ONRFBs. Flavone and isoflavone derivatives were selected as catholyte (positive charge carrier) and anolyte (negative charge carrier) molecules, respectively. To drive their redox potentials to the opposite extremes, in silico derivatization was performed using a novel algorithm to generate a library of > 40000 candidate molecules that penalizes overly complex structures. A multiobjective Bayesian optimization based active learning algorithm was then used to identify best redoxmer candidates in these search spaces. Furthermore, our study provides methodologies for molecular design and optimization of natural scaffolds and highlights the need of incorporating expert chemistry awareness of the natural products and the basic rules of synthetic chemistry in machine learning.

25 ENERGY STORAGE↗
DOE OSTI2025

A comprehensive approach for elucidating the interplay between 4f n +1 and 4f n 5d 1 configurations in Ln 2+ complexes

Lanthanides (Ln) are typically found in the +3 oxidation state. However, in recent decades, their chemistry has been expanded to include the less stable +2 oxidation state across the entire series except promethium (Pm), facilitated by the coordination of ligands such as trimethylsilylcyclopentadienyl, C 5 H 4 SiMe 3 (Cp'). The [LnCp' 3 ] complexes have been the workhorse for the synthesis and theoretical study of the fundamental aspects of divalent lanthanide chemistry, where experimental and computational evidence have suggested the existence of different ground state (GS) configurations, 4f n+1 or 4f n 5d 1 , depending on the specific metal. Standard reduction potentials and 4f n+1 to 4f n 5d 1 promotion energies have been two factors usually considered to rationalize the occurrence of these variable GS configurations, however the driving force behind this phenomenon is still not clear. In this work we present a comprehensive theoretical approach to shed light on this matter using the [LnCp 3 ] - model systems. We begin by calculating 4f n+1 to 4f n 5d 1 promotion energies and successfully correlate them with existing experimental data. Furthermore, we analyze how changes in the GS charge distribution between the Ln ions, LnCp 3 and the reduced [LnCp 3 ] - complexes (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) correlate with experimental trends in redox potentials and the calculated promotion energies. For this purpose, a comprehensive theoretical work that includes relativistic ligand field density functional theory (LFDFT) and relativistic ab initio wavefunction methods was performed. This study will help the rational design of suitable environments to tune the different GS configurations as well as modulating the spectroscopic properties of new Ln 2+ complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Role of Intact Hydrogen-Bond Networks in Multiproton-Coupled Electron Transfer

The essential role of a well-defined hydrogen-bond network in achieving chemically reversible multiproton translocations triggered by one-electron electrochemical oxidation/reduction is investigated by using pyridylbenzimidazole–phenol models. The two molecular architectures designed for these studies differ with respect to the position of the N atom on the pyridyl ring. In one of the structures, a hydrogen-bond network extends uninterrupted across the molecule from the phenol to the pyridyl group. Experimental and theoretical evidence indicates that an overall chemically reversible two-protoncoupled electron-transfer process (E2PT) takes place upon electrochemical oxidation of the phenol. This E2PT process yields the pyridinium cation and is observed regardless of the cyclic voltammogram scan rate. In contrast, when the hydrogen-bond network is disrupted, as seen in the isomer, at high scan rates (~1000 mV s –1 ) a chemically reversible process is observed with an E 1/2 characteristic of a one-proton-coupled electron-transfer process (E1PT). At slow cyclic voltammetric scan rates (<1000 mV s –1 ) oxidation of the phenol results in an overall chemically irreversible two-proton-coupled electron-transfer process in which the second proton-transfer step yields the pyridinium cation detected by infrared spectroelectrochemistry. In this case, we postulate an initial intramolecular proton-coupled electron-transfer step yielding the E1PT product followed by a slow, likely intermolecular chemical step involving a second proton transfer to give the E2PT product. Insights into the electrochemical behavior of these systems are provided by theoretical calculations of the electrostatic potentials and electric fields at the site of the transferring protons for the forward and reverse processes. Furthermore, this work addresses a fundamental design principle for constructing molecular wires where protons are translocated over varied distances by a Grotthuss-type mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Validation of simulated wave energy converter responses to focused waves

Focused waves are increasingly used as a design method to predict extreme loads for offshore structures, such as wave energy converters (WECs). However, the ability of computational methods to accurately simulate the prescribed focused waves and resulting wave structure interactions is not well validated. This study uses two computational fluid dynamic methods, WEC-Sim and STAR-CCM+, to evaluate the responses of two taut-moored WEC-like buoys to three different focused waves. WEC-Sim is a computationally efficient, mid-fidelity model, based on linearised potential flow theory. In contrast, STAR-CCM+ is a high-fidelity, three-dimensional, unsteady, Reynolds-averaged Navier–Stokes-based model. The two buoy geometries considered are a hemispherical-bottom cylinder and a truncated cylinder with a cylindrical moon pool. Three prescribed focused waves are generated in both codes, and the simulated displacements and mooring loads are obtained for each of the hydrodynamic bodies. The resulting STAR-CCM+ generated focused waves have approximately the same accuracy, in comparison with the analytic solution, as experimentally generated focused waves. The WEC-Sim simulated responses, when using viscous coefficients tuned to the measured displacements, are, on average, within 11.5% of experimentally measured values, whereas the STAR-CCM+ simulated responses are, on average, within 14.2% of the experimental values.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

OpenSNAPI: Toward a Unified API for SmartNICs

The end of Moore’s Law and Dennard Scaling has produced a renaissance in the field of computer architecture. Unable to continue leveraging silicon-level processor improvements to further enhance performance and scalability, system architects have been forced to explore other options. In this new era of heterogeneous architectures and hardware/software codesign, a new class of devices known as “accelerators” has emerged. Independently designed for optimized execution of distinct workloads, these devices have proven critical to the continued advancement of application performance. SmartNICs, accelerator devices integrated with a network controller, have conventionally been utilized to offload low-level networking functionality. However, newer SmartNIC variants, which incorporate a system-on-chip (SoC) with traditional designs, are challenging this precedent. Leveraging significantly augmented resources, these new devices offer increased versatility and the potential to more effectively complement a given architecture’s CPU. In this talk, we introduce the motivation underlying acceleration, explore the fundamentals of SmartNICs, and discuss traditional use cases. We also detail our initial efforts to investigate the feasibility and benefits of SmartNICs as general-purpose accelerators. We present the OpenSNAPI project created to define a uniform application programming interface (API) for this emerging class of devices. Finally, we provide a brief tutorial regarding development of SmartNIC-accelerated applications on Los Alamos National Laboratory’s SmartNIC-enabled platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Preliminary Workforce Development and Environmental and Co-use Management Plans for a Floating Offshore Wind Platform - CRADA 609 (Final Report)

Pacific Northwest National Laboratory (PNNL) provided technical assistance to Glosten, Inc. and its affiliate, PelaStar, LLC to advance the development of their floating offshore wind (FOSW) platform. PNNL provided guidance and assessment in two areas that are important to address in the development of FOSW platforms: (1) workforce development and (2) environmental impacts and ocean co-use considerations. This work was funded by the U.S. Department of Energy’s (DOE) Wind Energy Technologies Office (WETO) through Phase 2 of the FLoating Offshore Wind ReadINess (FLOWIN) Prize. It should be noted that the Plans presented in this report are specific to the PelaStar tension-leg platform (TLP) and may not be applicable to all FOSW platforms. Workforce development and environmental/co-use impacts are highly dependent on the geographical region in which activities take place. At the request of PelaStar, PNNL focused on two regions where development may take place: the Gulf of Maine and Northern California. PNNL generated a preliminary Workforce Development Plan for PelaStar, which includes estimated job numbers and skillsets required to establish a workforce to manufacture, install, and operate their platform as part of FOSW projects. The Plan offers methods to increase diversity, equity, and inclusion practices when developing a new workforce and includes colleges and training centers for potential recruitment. Both positive and negative impacts to communities are evaluated, with potential mitigation strategies for reducing negative impacts. The structure of Community Benefit Agreements and Project Labor Agreements are discussed, noting the limitations of the role of a platform manufacturer versus the offshore wind developer. PNNL also drafted a preliminary Environmental and Co-Use Management Plan that serves as a guide to preparing an environmental assessment related to the installation and operation of PelaStar’s unique TLP design, including its potential ecological, socioeconomic, and emissions impacts. The Plan summarizes information on relevant regulatory requirements, potential impact producing factors, monitoring and mitigation measures, and physical and biological resources in the Gulf of Maine and Northern California. One of the primary perceived benefits of the PelaStar TLP is its reduced footprint due to its tensioned tendons versus catenary or taut moorings, but more research must be done as there are no studies on PelaStar’s TLP system to-date. The section also highlights ocean co-use considerations for PelaStar’s TLP system, specifically for fisheries, including existing perspectives, methods, examples, and limitations. The PNNL team established through this preliminary work and review of available literature and resources that there is not yet much research or planning around FOSW. With FOSW being a new industry, many of the findings and planning are adapted from fixed bottom offshore wind, which itself is only just taking off in the United States. More research is needed to establish best practices for workforce development and to assess environmental and ocean co-use impacts and mitigation approaches.

17 WIND ENERGY↗
DOE OSTI2020

Thermal dissipation sensors enter a new age: Navigating frontiers in transpiration and hydrologic function

Thermal dissipation (TD) sensors have been used extensively for a wide array of sap flow applications, and yet recently several limitations of this approach have been identified, including a tendency to underestimate absolute flows, especially in small stems with very high flows. However, when used properly, the TD method remains the most cost effective and reliable approach for determining relative flows in comparison studies. Major advantages of this method include the ability to replicate maximally within trees, across trees of different sizes, and across multiple species to capture the full range of natural variation in the study system. From early studies, such variation has been deemed a major challenge for representing stand-level dynamics. In a series of recent comparison studies, we determined mean sap flux density dynamics within and among groups of trees. These studies were conducted within temperate coniferous forest (n=46), temperate oak savanna (n=36), temperate pine forest (n=49), temperate bottomland hardwood forest (n=23), tropical premontane rainforest (n=43), semiarid subtropical shrubland (n=25), and tropical dry forest (n=15), with a total of 237 sensors. Two study sites were also equipped with eddy covariance systems for determination of stand-level evapotranspiration. Sites subject to high background thermal gradients used the transient thermal dissipation method. Comparisons varied between studies but tended to focus on relative flow differences between species, between wetter and drier microsites, between understory and overstory components, or between wetter and drier periods of the growing season. Except for the shrubland sites, study trees tended to be at least 15-cm diameter and frequently exceeded 50-cm diameter. Results of this cross-site comparison highlight the inherent variation in natural stands and the importance of using large sample sizes. The TD approach remains a valuable and preferred method for the future determination of water use in trees. However, sensor replication can fundamentally impact a study's outcomes and should be more carefully considered in study design. Customized error mitigation strategies are best to address the sources of variation most problematic for a particular study. In conclusion, the development of “smart” calibration approaches that correct for fundamental effects of radial variation inherent in thermal dissipation studies is discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Sensitivity analysis of numerical modeling input parameters on floating offshore wind turbine loads in extreme idling conditions

Abstract. Floating offshore wind turbine (FOWT) systems are subject to complex environmental loads, with significant potential for damage in extreme storm conditions. Design simulations in these conditions are required to assess the survivability of the device with some level of confidence. Aero-hydro-servo-elastic engineering tools can be used with a reasonable balance of accuracy and computational efficiency. The models require many input parameters to describe the air and water conditions, the system properties, and the load calculations. Each of these parameters has some possible range, due to either statistical uncertainty or variations with time. Variation in the input parameters can have important effects on the uncertainty in the resulting loads, but it is not practical to perform detailed assessments of the impact of this uncertainty for every input parameter. This work demonstrates a method to identify the input parameters that have the most impact on the loads to focus further inspection. The process is done specifically for extreme storm load cases defined in the International Electrotechnical Commission design requirements for floating offshore wind turbines. The analysis was performed using the International Energy Agency Wind 15 MW offshore reference wind turbine atop the University of Maine VolturnUS-S reference platform in two US offshore wind regions, the Gulf of Maine and Humboldt Bay. It was found that the direction of incident waves and current, yaw misalignment, and the length of mooring line sections were among the primary sensitivities.

17 WIND ENERGY↗
DOE OSTI2021

Aerosol–Ice Formation Closure: A Southern Great Plains Field Campaign

Prediction of ice formation in clouds presents one of the grand challenges in the atmospheric sciences. Immersion freezing initiated by ice-nucleating particles (INPs) is the dominant pathway of primary ice crystal formation in mixed-phase clouds, where supercooled water droplets and ice crystals coexist, with important implications for the hydrological cycle and climate. However, derivation of INP number concentrations from an ambient aerosol population in cloud-resolving and climate models remains highly uncertain. We conducted an aerosol–ice formation closure pilot study using a field-observational approach to evaluate the predictive capability of immersion freezing INPs. The closure study relies on collocated measurements of the ambient size-resolved and single-particle composition and INP number concentrations. The acquired particle data serve as input in several immersion freezing parameterizations, which are employed in cloud-resolving and climate models, for prediction of INP number concentrations. We discuss in detail one closure case study in which a front passed through the measurement site, resulting in a change of ambient particle and INP populations. We achieved closure in some circumstances within uncertainties, but we emphasize the need for freezing parameterization of potentially missing INP types and evaluation of the choice of parameterization to be employed. Overall, this closure pilot study aims to assess the level of parameter details and measurement strategies needed to achieve aerosol–ice formation closure. Furthermore, the closure approach is designed to accurately guide immersion freezing schemes in models, and ultimately identify the leading causes for climate model bias in INP predictions.

58 GEOSCIENCES↗
DOE OSTI2021

A semi-coupled aero-servo-hydro numerical model for floating vertical axis wind turbines operating on TLPs

Floating vertical axis wind turbines (VAWTs) have many advantages over floating horizontal axis wind turbines (HAWTs) at large scales in deep water; however, there are several key challenges to overcome as well. One of the challenges is accurate prediction of the dynamic motion and loads performance of a floating VAWT. Here, a new semi-coupled aero-servo-hydro method is developed to assess dynamic responses of a floating VAWT by modeling the system as a 7-degree-of-freedom (7-DOF) model: the supporting platform is considered as a 6-DOF rigid body; the rotation of the rotor is considered as the 7th DOF. Aerodynamic, hydrodynamic, and mooring loads and control of the rotor speed are fully considered. This model can predict performance of floating VAWTs with reasonable fidelity according to validation with OrcaFlex through static and dynamic responses of a floating VAWT with Darrieus rotor operating on a new tension-leg platform (TLP). Being a reduced complexity model, the 7-DOF model can be efficiently applied to assess performance of the newly designed floating VAWT. This model is used to examine the relative contributions of aerodynamic and wave loads imparted to the floating system and the benefits of a three-bladed VAWT over a two-bladed VAWT through dynamic and fatigue analysis.

17 WIND ENERGY↗
DOE OSTI2023

XCT System for Harvesting In-Current Hydrokinetic Energy from Low-Velocity Sites

The Project demonstrated the functionality of a cross cutting (XCT) type turbine in laboratory and open water testing. The fundamental design approach of locating small axial rotors near the ends of driving spars, which pull the rotors through the water at a multiple of the free-stream velocity eliminates the need (and thus the cost) for a gearbox and torque resisting structures. This configuration, however, introduces the complexity of transmitting electricity across a rotating interface. Even so, cost models indicate that depending on the anchoring and mooring system, LCOE less than $0.10/kWh should be possible in high capacity-factor sites with non-reversing currents.

13 HYDRO ENERGY↗
DOE OSTI2020

AMPPED LDRD: Advanced Models of the Physics & Phenomena of Electrical Discharge.

This Laboratory Directed Research and Development (LDRD) project aimed at addressing an unmet need for physics-based models that enable prediction of electrical breakdown in the presence of high voltage gradients and real-world environments. This project focused on understanding coupled plasma-surface feedback phenomena critical to electrical discharge processes and design of breakdown voltages, breakdown times, and breakdown paths. New secondary electron emission and coupled plasma-surface measurement methods and models were developed. Highly reproducible discharge experiments were developed to provide current-voltage data as a function of time, and methods were developed to condition electrodes for predictable discharge. To assess plasma-surface feedback mechanisms, new surface physics capabilities, including measurement systems for local and global photoemission yield and ion-induced secondary electron emission yield were developed. Discharge models were developed to incorporate these yields for predicting discharge behavior to understand influence of surface physics on discharge current and time evolution, and methods to accelerate these simulations were demonstrated. A key finding was that the initiation process of a non-vacuum discharge appears highly dependent on photoemission at the cathode. Advanced diagnostics were developed, including spatial electrical field imaging, spectroscopy of plasmas, and high-speed imaging of discharge event s in metal and dielectric environments. These diagnostics and improved electrical models are a step toward enabling quantitative design margins, assurance of safety architectures, and implementation of novel materials and technologies for wide ranging energy and electronics applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗