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At least 1,153 records · Page 64

Clean Energy Innovation Ecosystems Discovery - Measuring Innovation Through Data Analytics (MIDAS)

As part of the Mission Innovation rollout at the Paris COP 21, 20 countries announced to double their R&D budgets over 5 years to accelerate lab-to-market clean energy innovations. These innovations must address technical urgency and navigate complex institutional, social and financial environments. To inform budget and program development, policymakers need to understand existing clean energy innovation ecosystems (IE) and their characteristics at the local, state, and regional levels within the US. Researchers at ORNL have implemented a ground-breaking application of natural language processing, link analysis, and other computational techniques to transform text and numerical data into metrics on clean energy innovation activity and geography. The 'Measuring Innovation through Data Analytics' (MIDAS) application uses data to determine where clean energy innovation ecosystems exist and the underlying scoring algorithm "ranks" the strength of the ecosystem for several clean energy technologies. The selection of the data sources is driven by the fact that a clean energy IE can be identified as an intersection of nascent clean technology efforts and financing mechanisms and related large companies located in a geographically concentrated area with an enabling environment to encourage commercialization and networking assets to facilitate communication. MIDAS is a machine-assisted methodology that provides the user with a replicable method to rapidly identify, quantify and characterize clean energy innovation ecosystems. This software application and the underlying datasets have the potential to address many important policy questions. The initial broad list of U.S. clean energy ecosystems, with geographic area, technology focus, and list and types of involved organizations can help describe regional tech activities and capabilities. Other potential applications include understanding the effect of private sector investments on ecosystem activity, and trends analysis.

Chinthavali, Supriya↗

Improving and Automating Building Model Data Exchange

There are many instances throughout a project’s lifecycle where there arises a need for quick and accurate risk assessment of building designs. For example, an unexpected design change during construction may necessitate structural engineers to perform a seismic risk assessment on analytical models of the updated building design using high fidelity structural analysis software, such as ANSYS or Abaqus. However, the efficiency of such workflows often depends upon the interoperability of architectural design software and structural analysis software. When the quality of this interoperability is lacking or even non-existent, the efficiency of virtual engineering workflows is hampered, which increases project costs. A McGraw Hill industry survey of professional users of Building Information Modeling (BIM) technologies found that there is high demand for BIM interoperability for structural analysis, but that the value/difficulty ratio is currently too low for practical use. There have been efforts by the academic community to facilitate model data exchange between the architectural design and structural analysis domains, but such solutions have not been widely adopted by industry, face technical challenges, and oftentimes are limited in applicability for users of various BIM software. Therefore, INL is developing capabilities to improve, automate, and generalize model data exchange between architectural BIM software (e.g., Revit) and structural analysis software (e.g., SAP2000, ANSYS). The goal is to help expedite and automate as much of the pre-processing step for creating analytical models in finite element analysis software as reasonably as possible. Such a "BIM-to-FEA" conversion tool should provide direct benefit to end-users through accuracy, automation, quick turn-around, and wide applicability. To generalize the application of this BIM-to-FEA conversion tool and increase its useability among the many different commercial BIM software currently used by industry, the program is being developed with the concept of openBIM. OpenBIM is the application of non-proprietary, open data standards that allow for BIM model data exchange in a format that is accessible, retainable, and useable for all users. The most widely used open, non-proprietary data exchange format for BIM is the Industry Foundation Classes (IFC) schema. IFC is developed by buildingSMART international and is ISO certified (ISO 16739-1:2018). The BIM-to-FEA conversion tool is being developed for compatibility with typical commercial building designs of steel framed structures. The tool is currently capable of importing architectural BIM data of framed building structures, recognizing and extracting the aspects of the model that are required for structural analysis, adjusting the connectivity of frame members, and finally exporting to an analytical model stored in the IFC format. The exported IFC analytical model can then be imported into various openBIM compliant software, such as SAP2000. Such capabilities have already been tested on commercial software, as shown above, and continue to be improved. Work is underway to test the conversion on various commercial BIM software, develop a user-friendly interface, incorporate the program into the broader DeepLynx data warehouse project being developed by INL, and to eventually open-source the tool for the benefit of the community. Future development of the tool envisions the ability for efficient iterative risk assessment of generative building designs, all within a workflow utilizing open-source tools. One such open-source tool will be MOOSE, an advanced finite element analysis tool developed at INL. The conversion tool will also branch out from typical commercial building designs and will aim to incorporate nuclear construction. The aim will be to convert both structural and non-structural components of nuclear facilities, such as curved concrete containment structures and piping systems, respectively.

97 MATHEMATICS AND COMPUTING↗

An empirical investigation of organic software product lines

Abstract Software product line engineering is a best practice for managing reuse in families of software systems that is increasingly being applied to novel and emerging domains. In this work we investigate the use of software product line engineering in one of these new domains, synthetic biology. In synthetic biology living organisms are programmed to perform new functions or improve existing functions. These programs are designed and constructed using small building blocks made out of DNA. We conjecture that there are families of products that consist of common and variable DNA parts, and we can leverage product line engineering to help synthetic biologists build, evolve, and reuse DNA parts. In this paper we perform an investigation of domain engineering that leverages an open-source repository of more than 45,000 reusable DNA parts. We show the feasibility of these new types of product line models by identifying features and related artifacts in up to 93.5% of products, and that there is indeed both commonality and variability. We then construct feature models for four commonly engineered functions leading to product lines ranging from 10 to 7.5 × 10 20 products. In a case study we demonstrate how we can use the feature models to help guide new experimentation in aspects of application engineering. Finally, in an empirical study we demonstrate the effectiveness and efficiency of automated reverse engineering on both complete and incomplete sets of products. In the process of these studies, we highlight key challenges and uncovered limitations of existing SPL techniques and tools which provide a roadmap for making SPL engineering applicable to new and emerging domains.

97 MATHEMATICS AND COMPUTING↗

NDFOM Description for DNDO Summer Internship Program

Nuclear Detection Figure of Merit (NDFOM) is a DNDO-funded project at LANL to develop a software framework that allows a user to evaluate a radiation detection scenario of interest, quickly obtaining results on detector performance. It is intended as a “first step” in detector performance assessment, and meant to be easily employed by subject matter experts (SMEs) and non-SMEs alike. The generic scenario consists of a potential source moving past a detector at a relative velocity and with a distance of closest approach. Such a scenario is capable of describing, e.g., vehicles driving through portal monitors, border patrol scanning suspected illicit materials with a handheld instrument, and first responders with backpackor pager-based detectors (see Fig. 1). The backend library is prepopulated by the NDFOM developers to include sources and detectors of interest to DNDO and its community.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

IRIS-HEP Strategic Plan for the Next Phase of Software Upgrades for HL-LHC Physics

The quest to understand the fundamental building blocks of nature and their interactions is one of the oldest and most ambitious of human scientific endeavors. CERN's Large Hadron Collider (LHC) represents a huge step forward in this quest. The discovery of the Higgs boson, the observation of exceedingly rare decays of $B$ mesons, and stringent constraints on many viable theories of physics beyond the Standard Model (SM) demonstrate the great scientific value of the LHC physics program. The next phase of this global scientific project will be the High-Luminosity LHC (HL-LHC) which will collect data starting circa 2029 and continue through the 2030s. The primary science goal is to search for physics beyond the SM and, should it be discovered, to study its implications. In the HL-LHC era, the ATLAS and CMS experiments will record around 100 times as many collisions as were used to discover the Higgs boson (and at twice the energy). Both NSF and DOE are making large detector upgrade investments so the HL-LHC can operate in this high-rate environment. Similar investment in software R&D for acquiring, managing, processing and analyzing HL-LHC data is critical to maximize the return-on-investment in the upgraded accelerator and detectors. This report presents a strategic plan for a possible second 5-year funded phase (2023 through 2028) for the Institute for Research and Innovation in Software for High Energy Physics (IRIS-HEP) which will close remaining software and computing gaps to deliver HL-LHC science.

43 PARTICLE ACCELERATORS↗

GNET2: an R package for constructing gene regulatory networks from transcriptomic data

Abstract Motivation The Gene Network Estimation Tool (GNET) is designed to build gene regulatory networks (GRNs) from transcriptomic gene expression data with a probabilistic graphical model. The data preprocessing, model construction and visualization modules of the original GNET software were developed on different programming platforms, which were inconvenient for users to deploy and use. Results Here, we present GNET2, an improved implementation of GNET as an integrated R package. GNET2 provides more flexibility for parameter initialization and regulatory module construction based on the core iterative modeling process of the original algorithm. The data exchange interface of GNET2 is handled within an R session automatically. Given the growing demand for regulatory network reconstruction from transcriptomic data, GNET2 offers a convenient option for GRN inference on large datasets. Availability and implementation The source code of GNET2 is available at https://github.com/jianlin-cheng/GNET2. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

MAMA Software User Guide: Tips for Segmenting with MAMA

This document reviews the six ways to segment with the MAMA software. Mama is not a threshold based segmentation system, like many of the image analyses programs you may be have used in the past. The MAMA software is set up to allow you to segment iteratively, and do so in a variety of ways. Six different ways are show below. They can be used in almost any combination—sometimes the choice depends on the image, sometimes it depends on user preferences for what type of interactions a user is willing to do. In the examples below, by “easy”, we mean an image for which MAMA segmentation works great and little clean-up is needed. By hard image, we mean an image for which accurate segmentation is very challenging. Many metal micrographs, and particles with rough textures fall into this class.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Grizzly Development for Light Water Reactor and Advanced Reactor Applications in Fiscal Year 2021

This report summarizes work performed during Fiscal Year (FY) 2021 at Idaho National Laboratory (INL) for the U.S. Department of Energy’s Nuclear Engineering Advanced Modeling and Simulation (NEAMS) program for the Structural Materials and Chemistry Technical Area in the work package entitled “MS-21IN050106 - Structural Materials - INL.” This effort mainly focused on development and application of capabilities for engineering-scale analysis of nuclear reactor structural components in the Grizzly and BlackBear codes. These efforts include performance improvements and application of models for high-temperature component response, cluster dynamics modeling of precipitation in light water reactor pressure vessel steel, engineering-scale capability development in the areas of concrete simulation and reactor pressure vessel analysis, and preparation for and conducting an independent assessment of the adherence of these codes to software quality standards.

36 MATERIALS SCIENCE↗

Material Protection, Accounting and Control Technologies (MPACT) Implementation Plan: Lab-Scale Demonstration of Advanced Safeguard and Security Systems

The Materials Protection, Accounting, and Control Technologies (MPACT) campaign is working towards the goal of developing and demonstrating the next generation of nuclear materials management for the peaceful use of civilian nuclear energy. A major milestone of the campaign is the “Lab-scale demonstration of an advanced safeguards and security system,” due in 2020. This implementation plan describes how tools developed in the MPACT campaign will be used to meet this milestone. These tools consist of instrumentation and devices as well as computer software for modelling, simulation and integration of data and information for safeguard and security analysis. The plan is focused on demonstrating an advanced safeguard and security systems for electrochemical processing plants, but also identifies activities needed to address advanced reactor, aqueous processing and other advanced fuel cycle facilities. A key component to achieving the 2020 milestone is the development of a virtual distributed test bed that incorporates the instruments, data, analysis tools, and models currently under development and provides a framework to link and normalize the data in a way that simulates a facility, including uncertainty quantification. This virtual distributed test bed will integrate computer simulated facilities that make up a fuel cycle of interest, with distributed test beds located in actual operating facilities and laboratories. The MPACT campaign recently issued roadmaps for both Modelling & Simulation and Advanced Integration which address this component, and activities necessary to achieve the 2020 milestone. Research, development and testing of specific technologies have been supported by the MPACT campaign in coordination with other DOE-NE and DOE-NNSA programs. These technologies provide the essential data needed by the safeguard and security systems, and feed into the data analysis and facility models. This plan will identify these technologies, their current status and activities needed to demonstrate the technologies at the laboratory scale. Wherever possible, test of technologies in field conditions using suitable nuclear materials will be used to define performance. Where necessary, surrogate materials and/or simulation will be used to provide useful information for the demonstration. When completed, the 2020 milestone will provide a demonstration of advanced safeguard and security technologies, including advanced modelling, simulation and analysis approaches, applied to electrochemical processing. It will also identify applications of the technology and approaches in other advanced fuel cycle and reactor concepts.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

A Unit Testing Framework for Scientific Legacy Code

Large-scale scientific applications play important roles in supporting research. However, it is often very expensive and time-consuming to make changes to, maintain and evolve the scientific code due to its complexity and poor programming skills of researchers. Therefore, in order to visualize scientific code architecture to optimize software design, understand undocumented source code, and analyze software flow and functionality, we first introduce a unit testing framework (UTF). Then, because such infrastructure's performance is very crucial in practical use since the scientific legacy applications simulate instances in a long period of time, we improve the UTF by applying Message Passing based Parallelization and parallel I/O operations. Furthermore, due to the scientific code has enormous state data and the I/O capacity on the server is limited, we apply in situ data analysis method to encounter fewer resource limitations, and adopt signal processing to greatly reduce data transfer. Last, we demonstrated the correctness and high-efficiency of our framework for legacy Earth model on Titan supercomputer.

97 MATHEMATICS AND COMPUTING↗

SU-F-J-174: A Series of Computational Human Phantoms in DICOM-RT Format for Normal Tissue Dose Reconstruction in Epidemiological Studies

Purpose: Epidemiological studies of second cancer risk in radiotherapy patients often require individualized dose estimates of normal tissues. Prior to 3D conformal radiation therapy planning, patient anatomy information was mostly limited to 2D radiological images or not even available. Generic patient CT images are often used in commercial radiotherapy treatment planning system (TPS) to reconstruct normal tissue doses. The objective of the current work was to develop a series of reference size computational human phantoms in DICOM-RT format for direct use in dose reconstruction in TPS. Methods: Contours of 93 organs and tissues were extracted from a series of pediatric and adult hybrid computational human phantoms (newborn, 1-, 5-, 10-, 15-year-old, and adult males and females) using Rhinoceros software. A MATLAB script was created to convert the contours into the DICOM-RT structure format. The simulated CT images with the resolution of 1×1×3 mm3 were also generated from the binary phantom format and coupled with the DICOM-structure files. Accurate volumes of the organs were drawn in the format using precise delineation of the contours in converted format. Due to complex geometry of organs, higher resolution (1×1×1 mm3) was found to be more efficient in the conversion of newborn and 1-year-old phantoms. Results: Contour sets were efficiently converted into DICOM-RT structures in relatively short time (about 30 minutes for each phantom). A good agreement was observed in the volumes between the original phantoms and the converted contours for large organs (NRMSD<1.0%) and small organs (NRMSD<7.7%). Conclusion: A comprehensive series of computational human phantoms in DICOM-RT format was created to support epidemiological studies of second cancer risks in radiotherapy patients. We confirmed the DICOM-RT phantoms were successfully imported into the TPS programs of major vendors.

60 APPLIED LIFE SCIENCES↗

SU-F-P-09: A Global Medical Physics Collaboration for Implementation of Modern Radiotherapy in Botswana

Purpose: The global burden of cancer is considerable, particularly in low and middle-income countries. Massachusetts General Hospital (MGH) and Botswana-Harvard AIDS Institute have partnered with the oncology community and government of Botswana to form BOTSOGO (BOTSwana Oncology Global Outreach) to address the rising burden of cancer in Botswana. Currently, radiation therapy (RT) is only available at a single linear accelerator (LINAC) in Gaborone Private Hospital (GPH). BOTSOGO worked to limit the absence of RT during a LINAC upgrade and ensure a safe transition to modern radiotherapy techniques. Methods: The existing Elekta Precise LINAC was decommissioned in November 2015 and replaced with a new Elekta VERSA-HD with IMRT/VMAT/CBCT capability. Upgraded treatment planning and record-and-verify systems were also installed. Physicists from GPH and MGH collaborated during an intensive on-site visit in Botswana during the commissioning process. Measurements were performed using newly purchased Sun Nuclear equipment. Photon beams were matched with an existing model to minimize the time needed for beam modeling and machine down time. Additional remote peer review was also employed. Independent dosimetry was performed by irradiating OSLDs, which were subsequently analyzed at MGH. Results: Photon beam quality agreed with reference data within 0.2%. Electron beam data agreed with example clinical data within 3%. Absolute dose calibration was performed using both IAEA and AAPM protocols. Absolute dose measurements with OSLDs agreed within 5%. Quentry cloud-based software was installed to facilitate remote review of treatment plans. Patient treatments resumed in February 2016. The time without RT was reduced, therefore likely resulting in reduced patient morbidity/mortality. Conclusion: A global physics collaboration was utilized to commission a modern LINAC in a resource-constrained setting. This can be a useful model in other areas with limited resources. Further use of technology and on-site exchanges will facilitate the introduction of more advanced techniques in Botswana. We acknowledge funding support from the AAPM International Educational Activities Committee and the NCI Federal Share Proton Beam Program Income Grant.

60 APPLIED LIFE SCIENCES↗

SU-F-T-169: A Periodic Quality Assurance Program for a Spot-Scanning Proton Treatment Facility

Purpose: To develop daily and monthly quality assurance (QA) programs in support of a new spot-scanning proton treatment facility using a combination of commercial and custom equipment and software. Emphasis was placed on efficiency and evaluation of key quality parameters. Methods: The daily QA program was developed to test output, spot size and position, proton beam energy, and image guidance using the Sun Nuclear Corporation rf-DQA™3 device and Atlas QA software. The program utilizes standard Atlas linear accelerator tests repurposed for proton measurements and a custom jig for indexing the device to the treatment couch. The monthly QA program was designed to test mechanical performance, image quality, radiation quality, isocenter coincidence, and safety features. Many of these tests are similar to linear accelerator QA counterparts, but many require customized test design and equipment. Coincidence of imaging, laser marker, mechanical, and radiation isocenters, for instance, is verified using a custom film-based device devised and manufactured at our facility. Proton spot size and position as a function of energy are verified using a custom spot pattern incident on film and analysis software developed in-house. More details concerning the equipment and software developed for monthly QA are included in the supporting document. Thresholds for daily and monthly tests were established via perturbation analysis, early experience, and/or proton system specifications and associated acceptance test results. Results: The periodic QA program described here has been in effect for approximately 9 months and has proven efficient and sensitive to sub-clinical variations in treatment delivery characteristics. Conclusion: Tools and professional guidelines for periodic proton system QA are not as well developed as their photon and electron counterparts. The program described here efficiently evaluates key quality parameters and, while specific to the needs of our facility, could be readily adapted to other proton centers.

60 APPLIED LIFE SCIENCES↗

NEK5000 Assessment Milestone Report: Single-Phase Natural Circulation using Direct Numerical Simulation (DNS) & Large Eddy Simulation (LES) Methods

This study evaluates the capabilities of the NEK5000 open-source code as an alternative to the commercially available software that is currently heavily relied upon. The first three case studies initiated the author with (1) the syntax and flow of the program, (2) varying initial and boundary conditions and (3) geometries of greater complexity & dimension. Case 1 studies transient conjugate heat transfer in the entry region of a pipe. Cases 2 & 3 simulate the natural convection flow in an enclosed differentially heated cavity (DHC) of two and three dimensions, respectively. The final case study, Case 4, produces three-dimensional single-phase natural convective flow using the Boussinesq approximation within a simplified representation of an aqueous homogeneous reactor system. The Boussinesq flow in Case 4 clearly depicts both Rayleigh-Taylor and Kelvin-Helmholtz instabilities qualitatively during post-processing analysis. Further analysis of Case 4, up to the point of a quasi-steady state (i.e. thermal-equilibrium condition), is done using the LES solver method in NEK5000. The volume-averaged solution temperatures, when compared between solvers, showed no significant difference. Due to its minimal compromise in fidelity of solution resolution and inexpensive computing cost, compared to the DNS solver, the LES solver is recommended for the current application. Methodology development for the four case studies are reported and a preliminary optimization study with different polynomial resolutions for Case 4 is addressed as a resource when performing future simulations using NEK5000. Hence, this report can be used as a reference starting point to the end user of NEK5000 for natural circulation phenomena in nuclear reactor safety applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Airport Infrastructure Planning Using Multi-Stage Stochastic Programming

The Athena project, funded by the Department of Energy, has worked to identify the critical infrastructure at Dallas Fort Worth (DFW) Airport which influences mobility between the airport and the surrounding city of Dallas. Using scalable methods that can leverage HPC resources we have developed a multi-stage stochastic infrastructure expansion model for determining parking and curb modifications to the DFW Airport over a 20-year horizon. Additionally, we have explored the impacts of congestion pricing in conjunction with infrastructure modifications. Our multi-stage stochastic model is implemented using the mpi-sppy software and solved in parallel using progressive hedging on the National Renewable Energy Laboratory's HPC system Eagle. In this talk we present results from solving this model at scale.

airport planning↗

Analysis of Spectral Lines in Large Databases of Synthetic Spectra for Massive Stars

In this paper, we describe a program that identifies in the optical spectrum the main parameters of a spectral line, namely the initial and final wavelengths, and the line depth. Moreover, using numerical calculations, it identifies and removes adjacent lines. Next, the program calculates the equivalent width and the FWHM. The software was tested in a sample of 300 lines in two databases of synthetic spectra generated by the CMFGEN and PoWR codes, and 300 lines in observed spectra from the IACOB database, showing a Gaussian distribution of relative errors, from which it is inferred that 80% of the measured lines have errors less than 17% and only 5% of the lines have errors greater than 26%. The program was also run on the entire database of 45,000 CMFGEN and 202 POWR synthetic spectra, generating a library of H i, He i, and He ii lines necessary to feed the FITspec code for the derivation of stellar parameters: effective temperature, surface gravity, and luminosity.

47 OTHER INSTRUMENTATION↗

Thermodynamic Model of COREX Melter Gasifier Using FactSage™ and Macro Facility

In the current study, the thermochemical model of the COREX melter gasifier has been developed using the FactSage™ thermodynamic software, and macro programming facility. The melter gasifier was conceptually divided into various equilibrium zones dealing with the reactions happening in the reactor. The coal char and the coke being used are divided among them optimally. The model has been validated with respect to the plant data for the hot-metal, slag, and reducing gas composition. The effects of the variation in the degree of metallization, on the final hot metal, slag, and reducing gas, have been predicted using this model. The variations in the process parameters for the different industrial coal grades used in the COREX plant have been determined. The effects of the volatile, ash, and the moisture contents of the coal on the hot-metal and the reducing gas compositions have been reported.

36 MATERIALS SCIENCE↗