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At least 1,549 records · Page 86

Extension of the sasCIF format and its applications for data processing and deposition

Recent advances in small-angle scattering (SAS) experimental facilities and data analysis methods have prompted a dramatic increase in the number of users and of projects conducted, causing an upsurge in the number of objects studied, experimental data available and structural models generated. To organize the data and models and make them accessible to the community, the Task Forces on SAS and hybrid methods for the International Union of Crystallography and the Worldwide Protein Data Bank envisage developing a federated approach to SAS data and model archiving. Within the framework of this approach, the existing databases may exchange information and provide independent but synchronized entries to users. At present, ways of exchanging information between the various SAS databases are not established, leading to possible duplication and incompatibility of entries, and limiting the opportunities for data-driven research for SAS users. In this work, a solution is developed to resolve these issues and provide a universal exchange format for the community, based on the use of the widely adopted crystallographic information framework (CIF). The previous version of the sasCIF format, implemented as an extension of the core CIF dictionary, has been available since 2000 to facilitate SAS data exchange between laboratories. The sasCIF format has now been extended to describe comprehensively the necessary experimental information, results and models, including relevant metadata for SAS data analysis and for deposition into a database. Processing tools for these files ( sasCIFtools ) have been developed, and these are available both as standalone open-source programs and integrated into the SAS Biological Data Bank, allowing the export and import of data entries as sasCIF files. Software modules to save the relevant information directly from beamline data-processing pipelines in sasCIF format are also developed. Lastly, this update of sasCIF and the relevant tools are an important step in the standardization of the way SAS data are presented and exchanged, to make the results easily accessible to users and to promote further the application of SAS in the structural biology community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

A general Bayesian algorithm for the autonomous alignment of beamlines

Autonomous methods to align beamlines can decrease the amount of time spent on diagnostics, and also uncover better global optima leading to better beam quality. The alignment of these beamlines is a high-dimensional expensive-to-sample optimization problem involving the simultaneous treatment of many optical elements with correlated and nonlinear dynamics. Bayesian optimization is a strategy of efficient global optimization that has proved successful in similar regimes in a wide variety of beamline alignment applications, though it has typically been implemented for particular beamlines and optimization tasks. In this paper, we present a basic formulation of Bayesian inference and Gaussian process models as they relate to multi-objective Bayesian optimization, as well as the practical challenges presented by beamline alignment. We show that the same general implementation of Bayesian optimization with special consideration for beamline alignment can quickly learn the dynamics of particular beamlines in an online fashion through hyperparameter fitting with no prior information. We present the implementation of a concise software framework for beamline alignment and test it on four different optimization problems for experiments on X-ray beamlines at the National Synchrotron Light Source II and the Advanced Light Source, and an electron beam at the Accelerator Test Facility, along with benchmarking on a simulated digital twin. We discuss new applications of the framework, and the potential for a unified approach to beamline alignment at synchrotron facilities.

47 OTHER INSTRUMENTATION↗

Scaling Automatic Vector Data Alignment to Satellite Imagery

Given the tremendous volume of accessible Earth Observation (EO) data, there is a need to develop scalable Geospatial Artificial Intelligence (GeoAI) solutions for time-sensitive applications. Scalability in this context refers to rapidly processing large-scale EO data using high performance computing resources. Accurate mapping of the built environment from remote sensing (RS) imagery has been one of the crucial components in GeoAI workflows for a wide spectrum of humanitarian applications. Derived vector data of built environment is often leveraged for disaster preparedness and response activities. However, factors such as differences in ortho-rectification, atmospheric conditions and human error, results in spatial misalignment between vector data and the timely available RS imagery. Model training for downstream tasks such as object detection, change analysis, etc., is negatively impacted due to such spatial misalignment. Although there has been progress towards automatic alignment of vector data, the lack of scalability remains an open research challenge. This paper proposes to leverage parallel computing to optimize an automatic vector data alignment workflow. It further employs CPU-level multi-core parallelism for improving the performance of the workflow for scalable built environment mapping. We report observations and discuss findings from the preliminary experiments performed on the Summit Supercomputer.

Potnis, Abhishek↗

Characteristics of Muon Computed Tomography of Used Fuel Casks Using Algebraic Reconstruction

Cosmic raymuons passing through matter lose energy from inelastic collisions with electrons and are deflected from nuclei due to multiple Coulomb scattering (MCS). The recent developments in position sensitive muon detectors that can measure incoming and outgoing trajectories of individual muons indicate that MCS could be an excellent candidate for spent nuclear fuel imaging. The main purpose of this paper is to evaluate tomographic scanning of spent nuclear fuel stored within vertical and horizontal dry storage casks. A quantitative analysis of the characteristics of images obtained with filtered back projection (FBP) and algebraic reconstruction techniques (ART) are presented herein, as such a comparison has not been carried out in the past. FBP is a fast tool to determine object boundaries. ART can include muon path models and prior knowledge that can improve resolution and reduce measurement time. The results demonstrate that missing fuel assemblies can be identified with more than 5 projections and that use of muon momentum significantly increases image resolution. It is expected that MCS can be used to successfully reconstruct the dry cask contents and allow identification of all described scenarios in hours. It is also expected that when total variation minimization and a non-local mean filter are applied, ART may yield much better image quality than FBP.

Liu, Zhengzhi↗

TU-C-BRE-07: Quantifying the Clinical Impact of VMAT Delivery Errors Relative to Prior Patients’ Plans and Adjusted for Anatomical Differences

Purpose: There is increased interest in the Radiation Oncology Physics community regarding sensitivity of pre-treatment IMRT/VMAT QA to delivery errors. Consequently, tools mapping pre-treatment QA to the patient DVH have been developed. However, the quantity of plan degradation that is acceptable remains uncertain. Using DVHs adapted from prior patients’ plans, we developed a technique to determine the magnitude of various delivery errors required to degrade a treatment plan to outside the clinically accepted range. Methods: DVHs for relevant organs at risk were adapted from a population of prior patients’ plans using a machine learning algorithm to establish the clinically acceptable DVH range specific to the patient’s anatomy. We applied this technique to six low-risk prostate cancer patients treated with single-arc VMAT and compared error-induced DVH changes to the adapted DVHs to determine the magnitude of error required to push the plan outside of the acceptable range. The procedure follows: (1) Errors (systematic ' random shift of MLCs, gantry-MLC desynchronization, dose rate fluctuations, etc.) were simulated and degraded DVHs calculated using the Varian Eclipse TPS. (2) Adapted DVHs and acceptable ranges for DVHs were established. (3) Relevant dosimetric indices and corresponding acceptable ranges were calculated from the DVHs. Key indices included NTCP (Lyman-Kutcher-Burman Model) and QUANTEC’s dose-volume Objectives: s of V75Gy≤0.15 for the rectum and V75Gy≤0.25 for the bladder. Results: Degradations to the clinical plan became “unacceptable” for 19±29mm and 1.9±2.0mm systematic outward shifts of a single leaf and leaf bank, respectively. All other simulated errors fell within the acceptable range. Conclusion: Utilizing machine learning and prior patients’ plans one can predict a clinically acceptable range of DVH degradation for a specific patient. Comparing error-induced DVH degradations to this range, it is shown that single-arc VMAT plans for low-risk prostate are relatively insensitive to many potential delivery errors.

60 APPLIED LIFE SCIENCES↗

SU-G-TeP4-06: An Integrated Application for Radiation Therapy Treatment Plan Directives, Management, and Reporting

Purpose: With electronic medical records, patient information for the treatment planning process has become disseminated across multiple applications with limited quality control and many associated failure modes. We present the development of a single application with a centralized database to manage the planning process. Methods: The system was designed to replace current functionalities of (i) static directives representing the physician intent for the prescription and planning goals, localization information for delivery, and other information, (ii) planning objective reports, (iii) localization and image guidance documents and (iv) the official radiation therapy prescription in the medical record. Using the Eclipse Scripting Application Programming Interface, a plug-in script with an associated domain-specific SQL Server database was created to manage the information in (i)–(iv). The system’s user interface and database were designed by a team of physicians, clinical physicists, database experts, and software engineers to ensure usability and robustness for clinical use. Results: The resulting system has been fully integrated within the TPS via a custom script and database. Planning scenario templates, version control, approvals, and logic-based quality control allow this system to fully track and document the planning process as well as physician approval of tradeoffs while improving the consistency of the data. Multiple plans and prescriptions are supported along with non-traditional dose objectives and evaluation such as biologically corrected models, composite dose limits, and management of localization goals. User-specific custom views were developed for the attending physician review, physicist plan checks, treating therapists, and peer review in chart rounds. Conclusion: A method was developed to maintain cohesive information throughout the planning process within one integrated system by using a custom treatment planning management application that interfaces directly with the TPS. Future work includes quantifying the improvements in quality, safety and efficiency that are possible with the routine clinical use of this system. Supported in part by NIH-P01-CA-059827.

60 APPLIED LIFE SCIENCES↗

Three dimensions, two microscopes, one code: Automatic differentiation for x-ray nanotomography beyond the depth of focus limit

Conventional tomographic reconstruction algorithms assume that one has obtained pure projection images, involving no within-specimen diffraction effects nor multiple scattering. Advances in x-ray nanotomography are leading toward the violation of these assumptions, by combining the high penetration power of x-rays, which enables thick specimens to be imaged, with improved spatial resolution that decreases the depth of focus of the imaging system. We describe a reconstruction method where multiple scattering and diffraction effects in thick samples are modeled by multislice propagation and the 3D object function is retrieved through iterative optimization. We show that the same proposed method works for both full-field microscopy and for coherent scanning techniques like ptychography. Our implementation uses the optimization toolbox and the automatic differentiation capability of the open-source deep learning package TensorFlow, demonstrating a straightforward way to solve optimization problems in computational imaging with flexibility and portability.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

PVcircuit [SWR-22-26]

The software contains objects that are building blocks for PV modeling and interactive data fitting based on: Optoelectronic models for tandem/multijunction solar cells including resistive and luminescent coupling; simulation of modules composed of 2T, 3T, and 4T tandem solar cells; and energy yield analysis of PV systems composed of tandem solar cells.

Geisz, John↗

pas

PAS: Prelim Attention Score for Detecting Object Hallucinations in Large Vision-Language Models

Bhattarai, Manish↗

PVcircuit v0.0.6 [SWR-22-26]

The software contains objects that are building blocks for PV modeling and interactive data fitting based on: Optoelectronic models for tandem/multijunction solar cells including resistive and luminescent coupling; simulation of modules composed of 2T, 3T, and 4T tandem solar cells; and energy yield analysis of PV systems composed of tandem solar cells.

Geisz, John↗

A Succession of Cloud, Precipitation, Aerosol and Air Quality Field Experiments in the Coastal Urban Environment

The interactions and feedbacks among clouds, aerosols, pollutants, and the thermodynamic and kinematic environment remains an area of active research with important implications for our understanding of climate, weather and air quality. These linkages are further complicated in coastal and urban environments where local circulations and anthropogenic influences impact each of these components and their interactions. Within this context, fundamental questions regarding the lifecycle of convective clouds, aerosols and pollutants have brought together a diverse, integrated, and interagency collaboration of scientists to collect and analyze measurements, in the Houston, Texas, area, from the summer of 2021 through the summer of 2022, with subsequent modeling studies to address these important research objectives. Herein, the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Facility and Atmospheric System Research (ASR) Program, the National Science Foundation’s (NSF) Physical and Dynamic Meteorology Program, the National Aeronautic and Space Administration’s (NASA’s) Tropospheric Composition Research and Health and Air Quality Applied Sciences Programs and the Texas Commission on Environmental Quality (TCEQ) are collaborating on a joint set of field campaigns to study the interactions of cloud, aerosol, and pollutants within the coastal, urban environment. In the Houston area, onshore flow from the Gulf of Mexico and the associated sea breeze circulation generates numerous isolated convective cells, particularly in the summer months, that interact with a variety of urban and industrial emissions.

54 ENVIRONMENTAL SCIENCES↗

Google Health Trends performance reflecting dengue incidence for the Brazilian states

Abstract Background Dengue fever is a mosquito-borne infection transmitted by Aedes aegypti and mainly found in tropical and subtropical regions worldwide. Since its re-introduction in 1986, Brazil has become a hotspot for dengue and has experienced yearly epidemics. As a notifiable infectious disease, Brazil uses a passive epidemiological surveillance system to collect and report cases; however, dengue burden is underestimated. Thus, Internet data streams may complement surveillance activities by providing real-time information in the face of reporting lags. Methods We analyzed 19 terms related to dengue using Google Health Trends (GHT), a free-Internet data-source, and compared it with weekly dengue incidence between 2011 to 2016. We correlated GHT data with dengue incidence at the national and state-level for Brazil while using the adjusted R squared statistic as primary outcome measure (0/1). We used survey data on Internet access and variables from the official census of 2010 to identify where GHT could be useful in tracking dengue dynamics. Finally, we used a standardized volatility index on dengue incidence and developed models with different variables with the same objective. Results From the 19 terms explored with GHT, only seven were able to consistently track dengue. From the 27 states, only 12 reported an adjusted R squared higher than 0.8; these states were distributed mainly in the Northeast, Southeast, and South of Brazil. The usefulness of GHT was explained by the logarithm of the number of Internet users in the last 3 months, the total population per state, and the standardized volatility index. Conclusions The potential contribution of GHT in complementing traditional established surveillance strategies should be analyzed in the context of geographical resolutions smaller than countries. For Brazil, GHT implementation should be analyzed in a case-by-case basis. State variables including total population, Internet usage in the last 3 months, and the standardized volatility index could serve as indicators determining when GHT could complement dengue state level surveillance in other countries.

59 BASIC BIOLOGICAL SCIENCES↗

1994 Treasure Coast Travel Characteristics Study

The Treasure Coast Travel Characteristics Study was initiated in January 1995 in order to improve the travel forecasting accuracy of the Florida Standard Urban Transportation Model System for this area. The main objective of the surveys was to establish the socioeconomic and travel characteristics of the Treasure Coast Area of Mart, St. Lucie, and Indian River Counties. A total of 1,531 households participated in the study. The household study was separated into multiple parts: one used phone interviews to collect data and another provided travel logs for study participants to fill out, ranging from one- to three-day logs.

1Hz data↗

IHLW PCT, Spinel T1%, Electrical Conductivity, and Viscosity Model Development (Final Report)

This report is the last in a series of currently scheduled reports that presents the results from the High Level Waste (HLW) glass formulation development and testing work performed at the Vitreous State Laboratory (VSL) of the Catholic University of America (CUA) and the development of IHLW property-composition models performed jointly by Pacific Northwest National Laboratory (PNNL) and VSL for the River Protection Project-Waste Treatment and Immobilization Plant (RPP-WTP). Specifically, this report presents results of glass testing at VSL and model development at PNNL for Product Consistency Test (PCT), one-percent crystal fraction temperature (T1%), electrical conductivity (EC), and viscosity of HLW glasses. The models presented in this report may be augmented and additional validation work performed during any future immobilized HLW (IHLW) model development work. Completion of the test objectives is addressed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DeepCwind Consortium Research Program: January 15, 2010 - March 31, 2013 (Final Technical Report)

This is the final technical report for the U.S. Department of Energy-funded program, DE-0002981: DeepCwind Consortium Research Program. The project objective was the partial validation of coupled models and optimization of materials for offshore wind structures. The United States has a great opportunity to harness an indigenous abundant renewable energy resource: offshore wind. In 2010, the National Renewable Energy Laboratory (NREL) estimated there to be over 4,000 GW of potential offshore wind energy found within 50 nautical miles of the US coastlines (Musial and Ram, 2010). The US Energy Information Administration reported the total annual US electric energy generation in 2010 was 4,120 billion kilowatt-hours (equivalent to 470 GW) (US EIA, 2011), slightly more than 10% of the potential offshore wind resource. In addition, deep water offshore wind is the dominant US ocean energy resource available comprising 75% of the total assessed ocean energy resource as compared to wave and tidal resources (Musial, 2008). Through these assessments it is clear offshore wind can be a major contributor to US energy supplies. The caveat to capturing offshore wind along many parts of the US coast is deep water. Nearly 60%, or 2,450 GW, of the estimated US offshore wind resource is located in water depths of 60 m or more (Musial and Ram, 2010). At water depths over 60 m building fixed offshore wind turbine foundations, such as those found in Europe, is likely economically infeasible (Musial et al., 2006). Therefore floating wind turbine technology is seen as the best option for extracting a majority of the US offshore wind energy resource. Volume 1 - Test Site; Volume 2 - Coupled Models; and Volume 3 - Composite Materials.

17 WIND ENERGY↗

Advanced Energy Harvesting Control Schemes for Marine Renewable Energy Devices

The Advanced Energy Harvesting Control Schemes for Marine Renewable Energy Devices (Project) investigated, analyzed and modeled advanced turbine control schemes with the objective of increasing the energy harvested by hydrokinetic turbines in turbulent flow. Ocean Renewable Power Company (ORPC) implemented and validated a feedforward controller to increase power capture; and applied and tested the controls on ORPC’s RivGen® Power Systems in Igiugig, Alaska. Assessments of performance improvements were made for the RivGen® in the Igiugig environment and for ORPC’s TidGen® Power System in a reference tidal environment. Annualized Energy Production (AEP) and Levelized Cost of Energy (LCOE) improvements associated with implementation of the recommended control methodology were made for the TidGen® Power System in the DOE reference tidal environment. System Performance Advancement (SPA) goals were selected for the project. SPA targets were to improve Power to Weight Ratio (PWR) and system Availability, with the intention of reducing Levelized Cost of Electricity (LCOE). This project focused primarily reducing in PWR. Reductions in PWR of 25.5% were achieved. Reductions of 20.3% in LCOE were achieved. This project evaluated four types of controllers which were tested in simulation, emulation, a laboratory flume, and the field. The adaptive Kω2 controller performs similarly to the non-adaptive version of the same controller and may be useful in tidal channels where the mean velocity is continually evolving. Trends in simulation were largely verified through experiments, which also provided the opportunity to test assumptions about turbine responsiveness and control resilience to varying scales of turbulence. Laboratory experiments provided an essential stepping stone between simulation and implementation on a field-scale turbine. Experiments also demonstrated that using “energy loss” as a metric to differentiate between well-designed controllers operating at an optimal tip-speed ratio set-point is difficult, which anticipated the outcome from field experiments. The clear message is that the feedforward Kω2 controller out-performs the feedback controllers in almost all aspects and modes of evaluation. The controllers proved a substantial improvement over the baseline performance of the TidGen® turbine, in terms of energy capture. The effects of noise-contaminated angular velocity signals were investigated and validated by simulation as an explanation for the performance limitations observed for TidGen® turbine operations in Eastport, Maine. Measurements of loads performed as part of the laboratory testing indicate that there are limited differences in average axial thrust force between control architectures. This suggests that none of the control strategies are likely to substantially affect loads on the turbine support structure. Velocity measurements during the ORPC RivGen® turbine deployment at Igiugig, Alaska, in 2014 were used to assess the variability of the river flow. Results suggest that the river flow is approximately steady, in the mean sense, at any particular location in the river, with random turbulent fluctuations that are around 10% of the mean flow. The mean flow in the center channel of the river is 2.5 m/s, with reductions near the riverbanks and in the shallows. Spectral analysis and lagged correlation results indicate that temporal fluctuations at a given point are dominated by large scale fluctuations, such that measurements at the turbine location are just as useful for inflow control implementation as upstream measurements. At this site, and likely at many other river sites, flow is generally steady at a given location, but flow varies dramatically between locations, particularly laterally across the river. The primary result is that a lateral change in position of a few meters results in changes to flow speed that far exceed the turbulence fluctuations at any given location. The turbulence is dominated by long time scales. Following final system tests, the RivGen® device was submerged and each evaluated controller was tested across a range of gain/set point values and filter configurations for a minimum of 5 minutes, with longer runs attempted for well-performing cases. In addition to testing controllers during the 2015 deployment season, LGL Alaska Research Associates Inc. (LGL) performed a fish monitoring study in compliance with Alaska Department of Fish and Game fisheries habitat permit for the project. During the season, LGL reviewed 10% of 179 one-hour blocks of footage (6 minutes on the hour) and documented a total of over 1200 fish in the vicinity of the RivGen® device, including over 800 salmon smolt and over 350 adult salmon. No evidence of adverse effects including passage delay by upstream migrating salmon was noted. This is an important result for future deployments and has a direct impact on commercial system designs.

16 TIDAL AND WAVE POWER↗

Relativistic Modeling Capabilities in Perseus Extended MHD Simulation Code for HED Plasmas

This project is submitted in response to DE-FOA-0001153, and will be carried out by Dr. Charles Seyler and Dr. Nathaniel Hamlin as post doc under the direction of Professor Seyler. The objectives are to enable PERSEUS to self-consistently model relativistic high-energy-density (HED) laboratory and astrophysical phenomena. Electrons and ions in a plasma are generally modeled either as fluids using a two-fluid code, like PERSEUS, or as particles using a Particle-In- Cell (PIC) code. Nonrelativistic PERSEUS solves the two-fluid equations, formulated in terms of a generalized Ohm’s law (GOL), so as to model about nine orders of magnitude in density variation using a local semi-implicit method. Relativistic PERSEUS preserves this structure and therefore retains these advantageous properties, enabling it to model a broader range of relativistic HED phenomena than previous codes. We have also overcome a major technical challenge associated with solving a relativistic system of equations relating conserved quantities (momentum, energy, etc.) to primitive variables (density, velocity, and pressure). We have thus far developed a relativistic version of PERSEUS and demonstrated that it recovers expected nonrelativistic results. We are currently using relativistic PERSEUS to model two HED phenomena, namely laser-plasma interactions and X-pinches, both of which show spectroscopic evidence of relativistic electrons. In an X-pinch, a section of wire carrying sufficiently large current forms a plasma column that pinches down to a point-like source, generating X-rays for use in radiographic imaging. Laser-plasma interactions have been simulated using PIC codes, and we use their results as a benchmark for comparison. However, neither PIC codes nor existing two-fluid schemes can simulate X-pinches, due to the broad range of densities which have thus far made such a simulation computationally prohibitive. In both laser-plasma interaction and Xpinch simulations, we have observed relativistic phenomena that PERSEUS could not previously model. This includes relativistic channeling of a laser into an over-dense deuterium gas (i.e. induced transparency), consistent with PIC simulation results, along with energetic electrons and ions following an X-pinch and likely accompanied by strong X-ray emission, consistent with experimental observations of energetic X-rays. This proposal includes our latest simulation results. We will improve computational efficiency with techniques that allow the use of a less refined numerical grid. This will enable extensions to three-dimensional geometries. We will improve modeling of laser-plasma interactions and X-pinches, including radiative transport processes, in order to improve comparisons with PIC simulations and experimental diagnostics. We will also model power loss through electrode surface plasmas in magnetically insulated transmission lines (MITLs). We will model relativistic astrophysical phenomena in both astrophysical and HED regimes, which could shed light on the validity of laboratory astrophysics for certain problems. These phenomena are currently modeled using PIC codes and existing relativistic two-fluid codes, neither of which can model the range of length scales of which relativistic PERSEUS is capable. There is strong potential for this project to have a broad impact on both the astrophysical and laboratory plasma communities. In the laboratory community, our work is applicable to those concerned with laser-plasma interactions such as laser-driven fusion, and those in the dense Z pinch community concerned with X-pinches and electrode surface plasmas. An improved understanding of the mechanisms of hard (i.e. high-energy) X-ray generation will likely make important contributions toward the use of X-pinches for radiography through the harnessing or mitigation of hard X-rays, depending on the application. The modeling of electrode surface plasmas, including vacuum electron flow, will improve our understanding of power loss to various loads.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermionic emission and energy conversion

This project worked on development of a transformative heat-to-electricity conversion device based on thermionic energy conversion. The research provided a unique opportunity to transform the thermionics technology of the 1950-1990s by applying modern materials and 21st century wafer-scale fabrication methods. Research was conducted to further development of a thermionic energy converter based on modern microfabrication and new low work function anode materials that can surpass all other forms of direct heat-to-electricity conversion. This project completed the following goals: (1) Developed components for use in thermionic energy converters and electron emission devices, including electrode materials for electron emission and electron absorption with ultimate work functions below 5 eV; (2) Designed and fabricated thermionic devices for energy conversion and electron emission based on the components developed in (1); (3) Engineered test systems to characterize electronic, thermal, and mechanical properties of thermionic devices and electron emitters and their components, and test devices and components designed and fabricated in (1) and (2); and (4) Developed theoretical modeling capabilities in support of these technical objectives.

36 MATERIALS SCIENCE↗