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Equilipy: a python package for calculating phase equilibria

The CALPHAD (CALculation of PHAse Diagram) approach (Nigel Saunders & Miodownik, 1998) provides predictions for thermodynamically stable phases in multicomponent-multiphase materials across a wide range of temperatures. Consequently, the CALPHAD calculations became an essential tool in materials and process design (Luo, 2015). Such design tasks frequently require navigating a high-dimensional space due to multiple components involved in the system. This increasing complexity demands high-throughput CALPHAD calculations, especially in the rapidly evolving field of alloy design. In response to the need, we developed Equilipy an open-source Python package designed for calculating phase equilibria of multicomponent-multiphase systems. Equilipy is specifically tailored for high-throughput CALPHAD calculations, offering parallel computations across multiple processors and nodes with the given NPT input conditions namely elemental compositions (N), pressure (P), and temperature (T). Equilipy utilizes the program structure and Gibbs energy functions from the Fortran-based program, Thermochimica (Piro et al., 2013), with incorporating a new Gibbs energy minimization algorithm. This algorithm, originally developed by Capitani and Brown in 1987 (Capitani & Brown, 1987), has been revised and implemented to enhance the stability and performance of calculations. The Fortran codes are precompiled and interfaced with Python via F2PY, ensuring high computation speed. Benchmark tests shown in Figure 1 demonstrate that Equilipy’s computation speed is comparable to those of established commercial software, TC-Python and PanPython. This result highlights its efficiency and potential applications in various scientific and industrial fields.

97 MATHEMATICS AND COMPUTING↗

Flight and Direct to Earth/Space Relay Communication System Architecture for GSFC CubeSat Missions

The CubeSat platform is finding increasing use in space science applications due to its low cost and comparative ease of launch. It is becoming a key scientific discovery tool in low Earth orbit (LEO) and beyond, including geosynchronous equatorial orbit (GEO), the Lagrange Points, Lunar missions, and more. The increasing complexity of these missions and their scientific goals must be supported by equal advancements in communications technology. Higher data rates and greater reliability are required every year. However, the reduced Size, Weight, and Power (SWaP) constraints of CubeSat platforms introduce unique challenges in the area of satellite communications. There is currently a lack of communication equipment tailored specifically to the CubeSat platform. This lack of standardized, tested equipment extends development time and reduces mission confidence. Furthermore, missions utilizing the CubeSat platform are often subject to more difficult design constraints. Antenna placement, size, and pointing are often subordinate to the requirements of the payload instruments and mission goals. Traditional link margin estimation techniques are insufficient in these cases, as they emphasize worst case scenarios. In reality the actual link parameters may vary widely even during a single pass. This presents new challenges in predicting communications performance and scheduling ground station contacts, but also new opportunities for improving efficiency. This paper presents the integration, testing, and validation process for a new software defined radio (SDR) designed for the CubeSat platform in conjunction with Vulcan Wireless, Inc. The SDR is planned for use on 5 upcoming CubeSat missions at NASAs Goddard Space Flight Center (GSFC) including a Geosynchronous Transfer Orbit (GTO) mission and it may also serve as a standard and well-tested option for future missions by enabling a standardized, rapid and low cost CubeSat communication system network integration process. Detailed simulations have been developed to estimate the communication performance of these missions, taking the unique antenna placements and attitude behavior of each satellite into account. These simulations allow a much more accurate analysis of the expected link margin, which varies considerably during each pass for the NASA Space Relay (SR) and Direct to Earth (DTE) network. The modelling procedures are outlined, and the results are used to predict communications performance of the missions.

Space Networks↗

Developing and testing capabilities for simulating cases with heterogeneous land/water surfaces in a novel atmospheric large eddy simulation code

Large eddy simulations (LES) are the primary computational tool used to simulate high Reynolds number three-dimensional turbulent flows. In the context of earth system sciences, particularly atmospheric science, LES are uniquely able to resolve the scales of atmospheric motion that are key for building process-level understanding of boundary layer turbulence, atmosphere-surface interaction, clouds, and cloud-aerosol-chemistry interaction, and are a core limited-area modeling capability. Increasing demands are being placed on LES code bases as growing high performance computing resources allow LES to address a wider range of scientific problems. In addition, LES are emerging as a source of high-quality machine learning training data. These demands necessitate an agile and extensible code base that allows the model to quickly adapt to emergent needs. However, LES have largely relied on legacy Fortran code bases that lack flexibility. A new, Python-based LES capability called Predicting INteractions of Aerosol and Clouds in Large Eddy Simulation (PINACLES) has been developed as part of the Department of Energy’s Earth System Model Development (ESMD) program area’s Enabling Aerosol-cloud interactions at Global convection-permitting scalES (EAGLES) project. PINACLES was developed from the ground up with a philosophy of maximizing scientific throughput, by attempting to optimize for both model throughput and software extensibility. The initial development of PINACLES delivered a state-of-the-art idealized LES capability solving the non-hydrostatic anelastic equations of motion with doubly periodic boundary conditions and idealized homogenous surface boundary conditions. Here we provide a final report on the outcomes of a fiscal year 2021 Seed Laboratory Directed Research Project that extended PINACLES in two key ways. First, PINACLES was coupled to a state-of-the-art land surface model enabling it to simulate spatially inhomogeneous land-atmosphere interactions that are known to control key atmospheric processes. Second, the dynamical core of PINACLES was modified to permit non-periodic boundary conditions. This model enhancement enables simulation of realistic cases with boundary conditions prescribed from atmospheric reanalysis and enables nested simulations conducted on a hierarchy of computational domains with increasing resolution. Together, these extensions to PINACLES make it a formidable modeling capability and expand its potential application to diverse components of DOE’s atmospheric science portfolio.

42 ENGINEERING↗

Enabling Wireless Avionics Intra-Communications

The Electromagnetics and Sensors Branch of NASA Langley Research Center (LaRC) is investigating the potential of an all-wireless aircraft as part of the ECON (Efficient Reconfigurable Cockpit Design and Fleet Operations using Software Intensive, Networked and Wireless Enabled Architecture) seedling proposal, which is funded by the Convergent Aeronautics Solutions (CAS) project, Transformative Aeronautics Concepts (TAC) program, and NASA Aeronautics Research Institute (NARI). The project consists of a brief effort carried out by a small team in the Electromagnetic Environment Effects (E3) laboratory with the intention of exposing some of the challenges faced by a wireless communication system inside the reflective cavity of an aircraft and to explore potential solutions that take advantage of that environment for constructive gain. The research effort was named EWAIC for "Enabling Wireless Aircraft Intra-communications." The E3 laboratory is a research facility that includes three electromagnetic reverberation chambers and equipment that allow testing and generation of test data for the investigation of wireless systems in reflective environments. Using these chambers, the EWAIC team developed a set of tests and setups that allow the intentional variation of intensity of a multipath field to reproduce the environment of the various bays and cabins of large transport aircraft. This setup, in essence, simulates an aircraft environment that allows the investigation and testing of wireless communication protocols that can effectively be used as a tool to mitigate some of the risks inherent to an aircraft wireless system for critical functions. In addition, the EWAIC team initiated the development of a computational modeling tool to illustrate the propagation of EM waves inside the reflective cabins and bays of aircraft and to obtain quantifiable information regarding the degradation of signals in aircraft subassemblies. The nose landing gear of a UAV CAD model was used to model the propagation of a system in a "deployed" configuration versus a "stowed" configuration. The differences in relative field strength provide valuable information about the distribution of the field that can be used to engineer RF links with optimal radiated power and antenna configuration that accomplish the intended system reliability. Such modeling will be necessary in subsequent studies for managing multipath propagation characteristics inside a main cabin and to understand more complex environments, such as the inside wings, landing gear bays, cargo bays, avionics bays, etc. The results of the short research effort are described in the present document. The team puts forth a set of recommendations with the intention of informing the project and program leadership of the future work that, in the opinion of the EWAIC team, would assist the ECON team reach the intended goal of developing an all-wireless aircraft.

Torres, Omar↗

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has provided a large performance boost for molecular docking programs. Both cloud and high-performance computing (HPC) resources have been used for large screens with molecular docking programs; while NVIDIA GPUs have dominated cloud and HPC resources, new vendors such as AMD and Intel are now entering the field, creating the problem of software portability across different GPUs. Ideally, software productivity could be maximized with portable programming models that are able to maintain high performance across architectures. While in many cases compiler directives have been used as an easy way to offload parallel regions of a CPU-based program to a GPU accelerator, they may also be an attractive programming model for providing portability across different GPU vendors, in which case the porting process may proceed in the reverse direction: from low-level, architecture-specific code to higher-level directive-based abstractions. MiniMDock is a new mini-application (miniapp) designed to capture the essential computational kernels found in molecular docking calculations, such as are used in phar-maceutical drug discovery efforts, in order to test different solutions for porting across GPU architectures. Here we extend MiniMDock to GPU offloading with OpenMP directives, and compare to performance of kernels using CUDA and HIP on NVIDIA and AMD GPUs, respectively, as well as across different compilers, exploring performance bottlenecks. We document this reverse-porting process, from highly optimized device code to a higher-level version using directives, compare code structure, and describe barriers that were overcome in this effort.

Thavappiragasam, Mathialakan↗

Rendering Three-Dimensional Solar Coronal Structures

An X-ray or EUV image of the corona or chromosphere is a 2D representation of an extended 3D complex for which a general inversion process is impossible. A specific model must be incorporated in order to understand the full 3D structure. We approach this problem by modeling a set of optically-thin 3D plasma flux tubes which we render these as synthetic images. The resulting images allow the interpretation of the X-ray/EUV observations to obtain information on (1) the 3D structure of X-ray images, i.e., the geometric structure of the flux tubes, and on (2) the internal structure using specific plasma characteristics, i.e., the physical structure of the flux tubes. The data-analysis technique uses magnetograms to characterize photospheric magnetic fields and extrapolation techniques to form the field lines. Using a new set of software tools, we have generated 3D flux tube structures around these field lines and integrated the plasma emission along the line of sight to obtain a rendered image. A set of individual flux-tube images is selected by a non-negative least-squares technique to Provide a match with an observed X-ray image. The scheme minimizes the squares of the differences between the synthesized image and the observed image with a non-negative constraint on the coefficients of the brightness of the individual flux-tube loops. The derived images are used to determine the specific photospheric foot points and physical data, i.e., scaling laws for densities and loop lengths. The development has led to Computer efficient integration and display software that is compatible for comparison with observations (e.g., Yohkoh SXT data, NIXT, or EIT). This analysis is important in determining directly the magnetic field configuration, which provides the structure of coronal loops, and indirectly the electric currents or waves, which provide the energy for the heating of the plasma. We have used very simple assumptions (i.e., potential magnetic fields and isothermal corona) to provide an initial test of the techniques before complex models are introduced. We have separated the physical and geometric contributions of the emission for a set of flux tubes and concentrated, in this initial study, on the geometric contributions by making approximations to the physical contributions. The initial results are consistent with the scaling laws derived from Yohkoh SXT data.

Gary, G. Allen↗

The application of synchrotron micro-computed tomography to characterize the three-dimensional microstructure in irradiated nuclear fuel

This research demonstrated the first time that synchrotron X-ray micro-computed tomography (μ-CT) was utilized to analyze the three-dimensional (3-D) morphology of the microstructure of irradiated nuclear fuel. Both absorption contrast and propagation-based phase contrast enhanced μ-CT techniques were evaluated. Porosity and phase region volumes were determined in neutron irradiated uranium 10 wt.% zirconium (U-10Zr) using propagation-based phase contrast enhanced μ-CT. Volumes were determined by image processing software and algorithms, with the porosity volume subsequently compared to the ASTM E562 method. The 3-D porosity of a small region (~ 8 x 10 5 µm 3 ) located in the intermediate fuel redistribution zone that was removed via a focused ion beam was determined to be 7.2% via image processing. A detailed 3-D analysis of the porosity with respect to volume and morphology was provided. Five growth stages of pore evolution were observed including: nucleation, growth, coalescence, interconnected porosity, and extended/interconnected porosity. Four distinct phase regions were identified, including the pores, via both absorption contrast and propagation-based phase contrast enhanced μ-CT. A quantitative comparison of fuel swelling between this localized microscopic U-10Zr fuel region, previously irradiated in the Fast Flux Test Facility, and historic U-10Zr fuels irradiated in the Experimental Breeder Reactor-II (EBR-II) was conducted. It was determined that for similar burnups, the localized swelling in this microscopic fuel region was 7.7%, which was approximately one-half of the value of the macroscopic swelling reported in EBR-II irradiated fuel. With the advent of new specimen preparation tools for irradiated materials, as well as advances in characterization techniques, researchers can now obtain previously inaccessible microstructural insight into irradiated fuels. This possibility naturally lends itself to improved fuel performance models for the nuclear community.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SU-E-T-253: Open-Source Automatic Software for Quantifying Biological Assays of Radiation Effects

Purpose: Clonogenic cell survival is a common assay for quantifying the effect of drugs and radiation. Manual counting of surviving colonies can take 30–90seconds per plate, a major limitation for large studies. Currently available automatic counting tools are not easily modified for radiation oncology research. Our goal is to provide an open-source toolkit for precise, accurate and fast analysis of biological assays in radiation oncology. Methods: As an example analysis, we used HeLa cells incubated with gadolinium nanoparticles prior to irradiation. After treatment, the cells are grown for 14days to allow for colony formation. To analyze the colony growth, we capture images of each dish for archiving and automatic computer-based analysis. A FujifilmX20 camera is placed at the top of a box setup, 20cm above the sample, which is backlit by a LED lamp placed at the bottom of the box. We use a Gaussian filter (width=1.3mm) and color threshold (19–255). The minimum size for a colony to be counted is 1mm. For this example, 20 dishes with a large range of colonies were analyzed. Each dish was counted 3 times manually by 3 different users and then compared to our counter. Results: Automatic counting of cell colonies takes an average of 7seconds, enabling the analysis process to be accelerated 4–12 times. The average precision of the automatic counter was 1.7%. The Student t-test demonstrated the non-significant differences between the two counting methods (p=0.64). The ICC demonstrated the reliability of each method with ICC>0.999 (automatic) and ICC=0.95 (manual). Conclusion: We developed an open-source automatic toolkit for the analysis of biological assays in radiation oncology and demonstrated the accuracy, precision and effort savings for clonogenic cell survival quantification. This toolkit is currently being used in two laboratories for routine experimental analysis and will be made freely available on our departmental website.

60 APPLIED LIFE SCIENCES↗

Status on the Development of a Modeling and Simulation Framework for the Economic Assessment of Nuclear Hybrid Energy Systems

An effort to design and build a modeling and simulation framework to assess the economic viability of Nuclear Hybrid Energy Systems (NHES) was undertaken in fiscal year 2015 (FY15). The purpose of this report is to document the various tasks associated with the development of such a framework and to provide a status on its progress. Several tasks have been accomplished. First, starting from a simulation strategy, a rigorous mathematical formulation has been achieved in which the economic optimization of a Nuclear Hybrid Energy System is presented as a constrained robust (under uncertainty) optimization problem. Some possible algorithms for the solution of the optimization problem are presented. A variation of the Simultaneous Perturbation Stochastic Approximation algorithm has been implemented in RAVEN and preliminary tests have been performed. The development of the software infrastructure to support the simulation of the whole NHES has also moved forward. The coupling between RAVEN and an implementation of the Modelica language (OpenModelica) has been implemented, migrated under several operating systems and tested using an adapted model of a desalination plant. In particular, this exercise was focused on testing the coupling of the different code systems; testing parallel, computationally expensive simulations on the INL cluster; and providing a proof of concept for the possibility of using surrogate models to represent the different NHES subsystems. Another important step was the porting of the RAVEN code under the Windows™ operating system. This accomplishment makes RAVEN compatible with the development environment that is being used for dynamic simulation of NHES components. A very simplified model of a NHES on the electric market has been built in RAVEN to confirm expectations on the analysis capability of RAVEN to provide insight into system economics and to test the capability of RAVEN to identify limit surfaces even for stochastic constraints. This capability will be needed in the future to enforce the stochastic constraints on the electric demand coverage from the NHES. The development team gained experience with many of the tools that are currently envisioned for use in the economic analysis of NHES and completed several important steps. Given the complexity of the project, preference has been given to a structural approach in which several independent efforts have been used to build the cornerstone of the simulation framework. While this is good approach in establishing such a complex framework, it may delay reaching more complete results on the performance of analyzed system configurations. The integration of the previously reported exergy analysis approach was initially proposed as part of this milestone. However, in reality, the exergy-based apportioning of cost will take place only in a second stage of the implementation since it will be used to properly allocate cost among the different NHES subsystems. Therefore, exergy does not appear at the level of the main drivers in the analysis framework; the latter development of the base framework is the focus of this report.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Data Processing Package for Cyclic Integrated Reversible Bending Fatigue Testing

A data processing software package has been introduced. The package was developed using MATLAB with the aid of the Curve Fitting Toolbox. The package is made up of four modules: pre-processing, data processing for static testing, data processing for monitoring, and data processing for measurements. CIRFT data are structured with multiple levels of architecture involving group, specimen, session, and scan/block. The degree of complexity of the data structure depends on whether a test is static or cyclic.The test results are presented in figures, scatter plots, and tables. For static testing, the output in tables provides bending mechanical properties and characteristic points of moment–curvature relation: flexural rigidities in linear segments of loading and unloading stages, intersection points between characteristic segments of the curve, and equivalent stress and strain quantities. For cyclic testing, the table output lists control and fatigue life and responsive/dependent quantities including moment, curvature, flexural rigidity, flexural hysteresis, rigidity phase angle, and equivalent stresses and strains. In addition, derivatives such as half-gage length and sensor spacing correction are included. The output also provides standard deviations of the reported quantities when they are applicable or available. The data processing package can serve as a fundamental characterization tool in mechanical study of materials. The package is intended primarily for data processing for the CIRFT process and can also be used in applications for which similar testing requirements exist.

36 MATERIALS SCIENCE↗

Full-Scaled Advanced Systems Testbed: Ensuring Success of Adaptive Control Research Through Project Lifecycle Risk Mitigation

The National Aeronautics and Space Administration's Dryden Flight Research Center completed flight testing of adaptive controls research on the Full-Scale Advance Systems Testbed (FAST) in January of 2011. The research addressed technical challenges involved with reducing risk in an increasingly complex and dynamic national airspace. Specific challenges lie with the development of validated, multidisciplinary, integrated aircraft control design tools and techniques to enable safe flight in the presence of adverse conditions such as structural damage, control surface failures, or aerodynamic upsets. The testbed is an F-18 aircraft serving as a full-scale vehicle to test and validate adaptive flight control research and lends a significant confidence to the development, maturation, and acceptance process of incorporating adaptive control laws into follow-on research and the operational environment. The experimental systems integrated into FAST were designed to allow for flexible yet safe flight test evaluation and validation of modern adaptive control technologies and revolve around two major hardware upgrades: the modification of Production Support Flight Control Computers (PSFCC) and integration of two, fourth-generation Airborne Research Test Systems (ARTS). Post-hardware integration verification and validation provided the foundation for safe flight test of Nonlinear Dynamic Inversion and Model Reference Aircraft Control adaptive control law experiments. To ensure success of flight in terms of cost, schedule, and test results, emphasis on risk management was incorporated into early stages of design and flight test planning and continued through the execution of each flight test mission. Specific consideration was made to incorporate safety features within the hardware and software to alleviate user demands as well as into test processes and training to reduce human factor impacts to safe and successful flight test. This paper describes the research configuration, experiment functionality, overall risk mitigation, flight test approach and results, and lessons learned of adaptive controls research of the Full-Scale Advanced Systems Testbed.

Pavlock, Kate M.↗

SU-E-T-471: Improvement of Gamma Knife Treatment Planning Through Tumor Control Probability for Metastatic Brain Tumors

Purpose: The dose–volume histogram (DVH) has been normally accepted as a tool for treatment plan evaluation. However, spatial information is lacking in DVH. As a supplement to the DVH in three-dimensional treatment planning, the differential DVH (DDVH) provides the spatial variation, the size and magnitude of the different dose regions within a region of interest, which can be incorporated into tumor control probability model. This study was to provide a method in evaluating and improving Gamma Knife treatment planning. Methods: 10 patients with brain metastases from different primary tumors including melanoma (#1,#4,#5, #10), breast cancer (#2), prostate cancer (#3) and lung cancer (#6–9) were analyzed. By using Leksell GammaPlan software, two plans were prepared for each patient. Special attention was given to the DDVHs that were different for different plans and were used for a comparison between two plans. Dose distribution inside target and tumor control probability (TCP) based on DDVH were calculated, where cell density and radiobiological parameters were adopted from literature. The plans were compared based on DVH, DDVH and TCP. Results: Using DVH, the coverage and selectivity were the same between plans for 10 patients. DDVH were different between two plans for each patient. The paired t-test showed no significant difference in TCP between the two plans. For brain metastases from melanoma (#1, #4–5), breast cancer (#2) and lung cancer (#6–8), the difference in TCP was less than 5%. But the difference in TCP was about 6.5% for patient #3 with the metastasis from prostate cancer, 10.1% and 178.7% for two patients (#9–10) with metastasis from lung cancer. Conclusion: Although DVH provides average dose–volume information, DDVH provides differential dose– volume information with respect to different regions inside the tumor. TCP provides radiobiological information and adds additional information on improving treatment planning as well as adaptive radiotherapy. Further clinical validation is necessary.

60 APPLIED LIFE SCIENCES↗

Multi-Task with Procter and Gamble (CRADA No. NFE-10-02672)

The purpose of this Cooperative Research and Development Agreement (CRADA) between UT-Battelle, LLC (the “Contractor) and Procter & Gamble Company (the “Participant”) is the development of a research partnership to create new tools, tests and analytical methods to improve the performance, safety and/or environmental quality of chemicals, advanced materials, food products and manufacturing processes. The Participant operates in three global business units: Beauty, Health and Well-Being and Household Care. Some of its worldwide products include Head and Shoulders®, Pantene®, Gillette® razors and personal care products, Crest®, Dawn®, Tide®, Bounty®, Duracell® batteries; and Iams® pet food among others. At its core, however, the Participant is a science driven company. It supports one of the most robust industrial research and development (R&D) programs in the world. The Participant uses this rich foundation of science to drive innovation across all of its product lines. But the innovation process is not confined in-house The Participant pursues an “open innovation” policy, seeking partnerships with scientists and researchers in universities and national laboratories where it can contribute its extensive knowledge assets and collaborate to advance scientific understanding. The research under this multi-task CRADA was directed under the following general task areas and, throughout the duration of this CRADA the work statement was modified to match the needs of the Parties and the direction of the research. (1) Software modeling, simulation and development; (2) Manufacturing Technologies; (3) Supply Chain Optimization, (4) Advanced Materials.

36 MATERIALS SCIENCE↗

Aerospace Power Systems Design and Analysis (APSDA) Tool

The conceptual design of space and/or planetary electrical power systems has required considerable effort. Traditionally, in the early stages of the design cycle (conceptual design), the researchers have had to thoroughly study and analyze tradeoffs between system components, hardware architectures, and operating parameters (such as frequencies) to optimize system mass, efficiency, reliability, and cost. This process could take anywhere from several months to several years (as for the former Space Station Freedom), depending on the scale of the system. Although there are many sophisticated commercial software design tools for personal computers (PC's), none of them can support or provide total system design. To meet this need, researchers at the NASA Lewis Research Center cooperated with Professor George Kusic from the University of Pittsburgh to develop a new tool to help project managers and design engineers choose the best system parameters as quickly as possible in the early design stages (in days instead of months). It is called the Aerospace Power Systems Design and Analysis (APSDA) Tool. By using this tool, users can obtain desirable system design and operating parameters such as system weight, electrical distribution efficiency, bus power, and electrical load schedule. With APSDA, a large-scale specific power system was designed in a matter of days. It is an excellent tool to help designers make tradeoffs between system components, hardware architectures, and operation parameters in the early stages of the design cycle. user interface. It operates on any PC running the MS-DOS (Microsoft Corp.) operating system, version 5.0 or later. A color monitor (EGA or VGA) and two-button mouse are required. The APSDA tool was presented at the 30th Intersociety Energy Conversion Engineering Conference (IECEC) and is being beta tested at several NASA centers. Beta test packages are available for evaluation by contacting the author.

Truong, Long V.↗

Proven and Robust Ground Support Systems - GSFC Success and Lessons Learned

Over the past fifteen years, Goddard Space Flight Center has developed several successful science missions in-house: the Wilkinson Microwave Anisotropy Probe (WMAP), the Imager for Magnetopause-to-Aurora Global Exploration (IMAGE), the Earth Observing 1 (EO-1) [1], and the Space Technology 5 (ST-5)[2] missions, several Small Explorers, and several balloon missions. Currently in development are the Solar Dynamics Observatory (SDO) [3] and the Lunar Reconnaissance Orbiter (LRO)[4]. What is not well known is that these missions have been supported during spacecraft and/or instrument integration and test, flight software development, and mission operations by two in house satellite Telemetry and Command (T & C) Systems, the Integrated Test and Operations System (ITOS) and the Advanced Spacecraft Integration and System Test (ASIST). The advantages of an in-house satellite Telemetry and Command system are primarily in the flexibility of management and maintenance - the developers are considered a part of the mission team, get involved early in the development process of the spacecraft and mission operations-control center, and provide on-site, on-call support that goes beyond Help Desk and simple software fixes. On the other hand, care must be taken to ensure that the system remains generic enough for cost effective re-use from one mission to the next. The software is designed such that many features are user-configurable. Where user-configurable options were impractical, features were designed so as to be easy for the development team to modify. Adding support for a new ground message header, for example, is a one-day effort because of the software framework on which that code rests. This paper will discuss the many features of the Goddard satellite Telemetry and Command systems that have contributed to the success of the missions listed above. These features include flexible user interfaces, distributed parallel commanding and telemetry decommutation, a procedure language, the interfaces and tools needed for a high degree of automation, and instantly accessible archives of spacecraft telemetry. It will discuss some of the problems overcome during development, including secure commanding over networks or the Internet, constellation support for the three satellites that comprise the ST-5 mission, and geographically distributed telemetry end users.

Pfarr, Barbara↗

ISOCS-based Extended In Situ Gamma Spectrometry Services Tool SuperISOCS for Waste Measurements - 20275

Canberra's In Situ Object Counting System (ISOCS) is an established tool used for gamma spectrometry. It allows physical representation of complex geometries and mathematical calculation of the calibration function while avoiding the need for radioisotope standards. ISOCS provides a large range of templates to generate the geometry for most nuclear waste components in nuclear facilities. Nonetheless, there are some complex geometries where the accuracy attainable is limited by the conventional ISOCS templates. An ISOCS-based extended in-situ Gamma Spectrometry service tool has been developed, based on the so-called SuperISOCS (SISOCS) software. This tool was developed to generate the most complex geometries. The principle of geometry construction is based on the composition of 8 different primitive geometries. The primitive object is able to be cut and to change a part of an object. An object is able to overlap to another one to form a more complex object. These functions refine the modelled geometry compared to the real objects and decrease the measurement systematic error because they allow the mathematical model to represent the real-life geometry more faithfully through reducing the approximations and simplifications that need to be made The algorithm of SISOCS is the same as that of standard ISOCS. A set of calculations was done in comparison with MCNP efficiency calculation and SISOCS results. 80 different models were compared between SISOCS and MCNP, with added 30 cases compared between ISOCS and SISOCS. The average differences were less than 2%, for all energy's efficiency calculations. In this paper we illustrate the benefits that this new tool can provide, in terms of improved accuracy for complex realistic geometries, through simulation of some example scenarios. Furthermore, we demonstrate, through SISOCS modelling of the real object data test, the comparison between SISOCS to ISOCS calculations for the same geometry. This paper describes the added functions that are easily employed using SISOCS. Our results show the potential application and benefit of this technique for real waste assay projects and the way to integrate the tool into the waste assay systems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

MO-A-BRD-07: Feasibility of X-Ray Acoustic Computed Tomography as a Tool for Calibration and In Vivo Dosimetry of Radiotherapy Electron and Photon Beams

Purpose: This work simulates radiation-induced acoustic waves to assess the feasibility of x-ray acoustic computed tomography (XACT) as a dosimeter. XACT exploits the phenomenon that acoustic waves with amplitude proportional to the dose deposited are induced following a radiation pulse. After detecting these acoustic waves with an ultrasound transducer, an image of the dose distribution can be reconstructed in realtime. Methods: Monte Carlo was used to simulate the dose distribution for monoenergetic 6 MeV photon and 9 MeV electron beams incident on a water tank. The dose distribution for a prostate patient planned with a photon 4-field box technique was calculated using clinical treatment planning software. All three dose distributions were converted into initial pressure distributions, and transportation of the induced acoustic waves was simulated using an open-source toolkit. Ideal transducers were placed around the circumference of the target to detect the acoustic waves, and a time reversal reconstruction algorithm was used to obtain an XACT image of the dose for each radiation pulse. Results: For the photon water tank relative dosimetry case, it was found that the normalized acoustic signal amplitude agreed with the normalized dose at depths from 0 cm to 10 cm, with an average percent difference of 0.5%. For the reconstructed in-plane dose distribution of an electron water tank irradiation, all pixels passed a 3%–3 mm 2D gamma test. The reconstructed prostate dose distribution closely resembled the plan, with 89% of pixels passing a 3%–3 mm 2D gamma test. For all situations, the amplitude of the induced acoustic waves ranged from 0.01 Pa to 1 Pa. Conclusion: Based on the amplitude of the radiation-induced acoustic waves and accuracy of the reconstructed dose distributions, XACT is a feasible technique for dosimetry in both calibration and in vivo environments for photon and electron beams and merits further investigation. Funding from NSERC, CIHR and McGill University. SH acknowledges partial support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council (Grant number: 432290)

60 APPLIED LIFE SCIENCES↗

Myna: Connecting powder bed fusion build data to simulation tools for digital twin applications

Additive manufacturing (AM), as a digital process, can generate a detailed digital thread linking a part’s design and manufacturing to its operational performance. As AM systems advance, an increasing amount of process data is stored in manufacturing databases. In principle, this data can be utilized by simulation-based digital twin approaches, such as real-time process control and asynchronous post-processing guidance. However, few tools currently exist for systematically integrating digital thread data with computational tools. Here, in this study, we propose a software package, called Myna, for connecting data from powder bed fusion processes to simulation tools. The utility of such a platform is demonstrated using build data from the Oak Ridge National Laboratory Manufacturing Demonstration Facility “Peregrine v2023-10” public dataset to automatically configure and run 54 semi-analytical 3DThesis melt pool simulations, 78 numerical Additive FOAM melt pool simulations, and 3 ExaCA microstructure simulations. The simulated, spatially registered microstructures are then compared directly with electron backscatter diffraction characterization of the corresponding as-built part locations. The resulting simulated microstructure showed variation as a function of process parameters, particularly stripe width; however, the experimental data had little variation between the microstructure texture and grain size resulting from different processing conditions. Analysis of the discrepancies suggest that it is possible a two-phase ferritic-austenitic solidification model is needed to accurately predict grain size and texture for certain stainless steel 316L feedstock compositions under powder bed fusion conditions, providing direction for future research. As illustrated here, due to the number and complexity of the simulations involved in AM process-structure–property predictions, automated methods to connect process data and simulations will remain necessary tools for testing hypotheses and implementing digital twin applications.

Knapp, Gerald L. [Oak Ridge National Laboratory (O↗