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At least 1,351 records · Page 75

Challenges in Long-Term Records Preservation and Access - 19549

The US Department of Energy Office of Legacy Management (LM) mission includes preserving records and information about the nation's Cold War-era weapons projects and making that information available for years to come. As LM assumes responsibility for each project, records documenting operations and cleanup activities are absorbed into a central recordkeeping system. Each record category is governed by a federal retention requirement. Routine administrative records are kept just a few years, while the most important records have 'permanent' retention requirements and are transferred to the National Archives typically within 25 years of creation. It is relatively easy for LM to meet retention requirements for these routine and permanent records. LM's big preservation challenge is with records with tremendously long retention requirements. Records with 75-year retention requirements are common, and a small subset of LM records pertaining to waste disposal requires 150-year retention periods. LM must consider the best format for maintaining each of its records collections. Should physical records be boxed up for long-term storage, or should they be digitized? Each option has associated benefits, costs, and risks. Keeping records in paper format avoids digitizing expense and preserves the original media, but the paper must be maintained in a certified storage facility. A vermin infestation or sprinkler malfunction at a certified facility may be rare but could easily destroy records. Keeping the paper and making reference or backup electronic copies reduces the risk of loss but requires diligence and resources to keep the physical records and electronic versions synchronized. This becomes an overwhelming task in a database with millions of records. Entirely replacing paper records with digitized versions as electronic records introduces the risk that records could be lost due to a cybersecurity incident or made inaccessible by evolving technology. LM's early electronic records management efforts were limited to documents saved to PDF format. More recently, LM has embraced the benefits of maintaining records in native formats. (A spreadsheet includes formulas and other details lost when converted to a PDF file.) But whether the file is saved as a Microsoft Excel spreadsheet or PDF document, how do we ensure the file is readable in 75 or 150 years when these records meet their retention requirement? We have no way of knowing for sure from our 2019 vantage point-no more than we would expect to get good technology advice from someone 150 years ago. We cannot predict the technological future, but we can make sure our current electronic records environment is healthy and future ready. This includes making sure the electronic recordkeeping system is built on a modern platform and ensuring that each record in the system is saved in a current format. Quality standards are critical for electronic records to be future ready. Implementing quality involves an organization-wide approach to having consistently formatted file names and complete and descriptive metadata. Quality PDF documents are scanned to settings that ensure characters are machine-readable (with optical character recognition, or OCR). LM is currently replacing its electronic recordkeeping system and simultaneously modernizing its organizational approach to data management; it is replacing a traditional electronic records repository with a system that also manages records stored anywhere across the computer network. This new records management approach will require new thinking in how LM manages a dramatically increased volume of information across the network while not losing focus on its responsibility for long-term records preservation and access. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SU-E-T-27: A Tool for Routine Quality Assurance of Radiotherapy Dose Calculation Software

Purpose: Dose calculation software is thoroughly evaluated when it is commissioned; however, evaluation of periodic software updates is typically limited in scope due to staffing constraints and the need to quickly return the treatment planning system to clinical service. We developed a tool for quickly and comprehensively testing and documenting dose calculation software against measured data. Methods: A tool was developed using MatLab (The MathWorks, Natick, MA) for evaluation of dose calculation algorithms against measured data. Inputs to the tool are measured data, reference DICOM RT PLAN files describing the measurements, and dose calculations in DICOM format. The tool consists of a collection of extensible modules that can perform analysis of point dose, depth dose curves, and profiles using dose difference, distance-to-agreement, and the gamma-index. Each module generates a report subsection that is incorporated into a master template, which is converted to final form in portable document format (PDF). Results: After each change to the treatment planning system, a report can be generated in approximately 90 minutes. The tool has been in use for more than 5 years, spanning 5 versions of the eMC and 4 versions of the AAA. We have detected changes to the algorithms that affected clinical practice once during this period. Conclusion: Our tool provides an efficient method for quality assurance of dose calculation software, providing a complete set of tests for an update. Future work includes the addition of plan level tests, allowing incorporation of, for example, the TG-119 test suite for IMRT, and integration with the treatment planning system via an application programming interface. Integration with the planning system will permit fully-automated testing and reporting at scheduled intervals.

07 ISOTOPE AND RADIATION SOURCES↗

Vegetation Warming Experiment: Plant Physiology, Utqiagvik (Barrow), Alaska, 2017

Leaf gas exchange measurements on Petasites frigidus (L.) Fr. following a single season warming treatment. Data were collected in 2017 from 5 treatment warming chambers and paired control plots located on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska. Data include CO2 response (ACi) curves, light response (AQ) curves, and dark-adapted respiration (Rdark) logged data measured at controlled leaf temperatures from 5-25 °C. The data package includes 4 data files in .csv format, 10 metadata files and the complete instrument output for all measurements. These data were collected as part of an experiment using Zero Power Warming (ZPW) chambers that delivered a single season warming treatment of ~4 °C above ambient air temperature. Four different plant species were targeted over four experimental years from 2017-2021. See related data packages for processed gas exchange data, leaf trait data (leaf mass per area, leaf nitrogen concentration), ambient and chamber environmental conditions, phenocamera images, thaw depth and GPS locations of chambers. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Indirect Dry Cooling System Spreadsheet Model for sCO2

The attached cost and performance spreadsheet model is for an indirect dry cooling system, one of four cooling system models developed for use in optimizing indirectly-heated supercritical CO2 (sCO2) power cycles. Running the model requires that the user has REFPROP version 9 or below installed, as well as the Microsoft Excel REFPROP Add-In. Upon opening, use Excel’s Edit Links feature to link to the user’s installed REFPROP.xla or REFPROP.xlam file. For the spreadsheet model compatible with REFPROP version 10 and above, contact Nathan Weiland at nathan.weiland@netl.doe.gov. Technical documentation for the model can be found here: https://www.netl.doe.gov/energy-analysis/details?id=3199.

30 DIRECT ENERGY CONVERSION↗

Wet Cooling Tower Cooling System Spreadsheet Model for sCO2

The attached cost and performance spreadsheet model is for a wet cooling tower system, one of four cooling system models developed for use in optimizing indirectly-heated supercritical CO2 (sCO2) power cycles. Running the model requires that the user has REFPROP version 9 or below installed, as well as the Microsoft Excel REFPROP Add-In. Upon opening, use Excel’s Edit Links feature to link to the user’s installed REFPROP.xla or REFPROP.xlam file. For the spreadsheet model compatible with REFPROP version 10 and above, contact Nathan Weiland at nathan.weiland@netl.doe.gov. Technical documentation for the model can be found here: https://www.netl.doe.gov/energy-analysis/details?id=3199.

30 DIRECT ENERGY CONVERSION↗

Implementation of a practical Markov chain Monte Carlo sampling algorithm in PyBioNetFit

Abstract Summary Bayesian inference in biological modeling commonly relies on Markov chain Monte Carlo (MCMC) sampling of a multidimensional and non-Gaussian posterior distribution that is not analytically tractable. Here, we present the implementation of a practical MCMC method in the open-source software package PyBioNetFit (PyBNF), which is designed to support parameterization of mathematical models for biological systems. The new MCMC method, am, incorporates an adaptive move proposal distribution. For warm starts, sampling can be initiated at a specified location in parameter space and with a multivariate Gaussian proposal distribution defined initially by a specified covariance matrix. Multiple chains can be generated in parallel using a computer cluster. We demonstrate that am can be used to successfully solve real-world Bayesian inference problems, including forecasting of new Coronavirus Disease 2019 case detection with Bayesian quantification of forecast uncertainty. Availability and implementation PyBNF version 1.1.9, the first stable release with am, is available at PyPI and can be installed using the pip package-management system on platforms that have a working installation of Python 3. PyBNF relies on libRoadRunner and BioNetGen for simulations (e.g. numerical integration of ordinary differential equations defined in SBML or BNGL files) and Dask.Distributed for task scheduling on Linux computer clusters. The Python source code can be freely downloaded/cloned from GitHub and used and modified under terms of the BSD-3 license (https://github.com/lanl/pybnf). Online documentation covering installation/usage is available (https://pybnf.readthedocs.io/en/latest/). A tutorial video is available on YouTube (https://www.youtube.com/watch?v=2aRqpqFOiS4&t=63s). Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Experiments and Analyses of Data Transfers Over Wide-Area Dedicated Connections

Dedicated wide-area network connections are increasingly employed in high-performance computing and big data scenarios. One might expect the performance and dynamics of data transfers over such connections to be easy to analyze due to the lack of competing traffic. However, non-linear transport dynamics and end-system complexities (e.g., multi-core hosts and distributed filesystems) can in fact make analysis surprisingly challenging. We present extensive measurements of memory-to-memory and disk-to-disk file transfers over 10 Gbps physical and emulated connections with 0–366 ms round trip times (RTTs). For memory-to-memory transfers, profiles of both TCP and UDT throughput as a function of RTT show concave and convex regions; large buffer sizes and more parallel flows lead to wider concave regions, which are highly desirable. TCP and UDT both also display complex throughput dynamics, as indicated by their Poincare maps and Lyapunov exponents. For disk-to-disk transfers, we determine that high throughput can be achieved via a combination of parallel I/O threads, parallel network threads, and direct I/O mode. Our measurements also show that Lustre filesystems can be mounted over long-haul connections using LNet routers, although challenges remain in jointly optimizing file I/O and transport method parameters to achieve peak throughput.

Rao, Nageswara S.↗

TH-A-19A-10: Fast Four Dimensional Monte Carlo Dose Computations for Proton Therapy of Lung Cancer

Purpose: To develop and validate a fast and accurate four dimensional (4D) Monte Carlo (MC) dose computation system for proton therapy of lung cancer and other thoracic and abdominal malignancies in which the delivered dose distributions can be affected by respiratory motion of the patient. Methods: A 4D computer tomography (CT) scan for a lung cancer patient treated with protons in our clinic was used to create a time dependent patient model using our in-house, MCNPX-based Monte Carlo system (“MC{sup 2}”). The beam line configurations for two passively scattered proton beams used in the actual treatment were extracted from the clinical treatment plan and a set of input files was created automatically using MC{sup 2}. A full MC simulation of the beam line was computed using MCNPX and a set of phase space files for each beam was collected at the distal surface of the range compensator. The particles from these phase space files were transported through the 10 voxelized patient models corresponding to the 10 phases of the breathing cycle in the 4DCT, using MCNPX and an accelerated (fast) MC code called “FDC”, developed by us and which is based on the track repeating algorithm. The accuracy of the fast algorithm was assessed by comparing the two time dependent dose distributions. Results: The error of less than 1% in 100% of the voxels in all phases of the breathing cycle was achieved using this method with a speedup of more than 1000 times. Conclusion: The proposed method, which uses full MC to simulate the beam line and the accelerated MC code FDC for the time consuming particle transport inside the complex, time dependent, geometry of the patient shows excellent accuracy together with an extraordinary speed.

60 APPLIED LIFE SCIENCES↗

Cross-instrument Analysis Correlation Software

This program has been designed to assist with the tracking of a sample from one analytical instrument to another such as SEM, microscopes, micro x-ray diffraction and other instruments where particular positions/locations on the sample are examined, photographed, etc. The software is designed to easily enter the position of fiducials and locations of interest such that in a future session in the same of different instrument the positions of interest can be re-found through using the known location fiducials in the current and reference session to transform the point into the current sessions coordinate system. The software is dialog box driven guiding the user through the necessary data entry and program choices. Information is stored in a series of text based extensible markup language (XML) files.

McJunkin, TimothyR.↗

PyMSI

A python package that helps with working with MSI Windows installers, by providing a library and utilities to read information from the file, extract embedded files, and update/write MSI files. Functionality is similar to https://wiki.gnome.org/msitools and https://github.com/mdsteele/rust-msi but written in pure Python so that it can easily be installed and used on a wider variety of systems.

Mast, Ryan↗

CSI comes to nuclear security

Viewers of television cop shows like “CSI” or its many imitators are familiar with the idea of how forensics can be used to track down a culprit. If you watch and listen closely, you will notice that the detectives often refer to a national collection of crime scene DNA “fingerprints” held on file in a US federal database called CODIS, which helps to narrow down suspects. For example, after DNA has been picked up from a crime scene, it is entered into the system, and software then scans the voluminous database for a match to known previous offenders. The benefits of such a system in helping to narrow down and identify a list of likely suspects are obvious.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cross-instrument Analysis Correlation Software

This program has been designed to assist with the tracking of a sample from one analytical instrument to another such as SEM, microscopes, micro x-ray diffraction and other instruments where particular positions/locations on the sample are examined, photographed, etc. The software is designed to easily enter the position of fiducials and locations of interest such that in a future session in the same of different instrument the positions of interest can be re-found through using the known location fiducials in the current and reference session to transform the point into the current sessions coordinate system. The software is dialog box driven guiding the user through the necessary data entry and program choices. Information is stored in a series of text based extensible markup language (XML) files.

McJunkin, Timothy R.↗

SU-F-T-242: A Method for Collision Avoidance in External Beam Radiation Therapy

Purpose: We proposed a method for collision avoidance (CA) in external beam radiation therapy (EBRT). The method encompasses the analysis of all positions of the moving components of the beam delivery system such as the treatment table and gantry, including patient specific information obtained from the CT images. This method eliminates the need for time-consuming dry-runs prior to the actual treatments. Methods: The QA procedure for EBRT requires that the collision should be checked prior to treatment. We developed a system capable of a rigorous computer simulation of all moving components including positions of the couch and gantry during the delivery, position of the patients, and imaging equipment. By running this treatment simulation it is possible to quantify and graphically represent all positions and corresponding trajectories of all points of the moving parts during the treatment delivery. The development of the workflow for implementation of the CA includes several steps: a) derivation of combined dynamic equation of motion of the EBRT delivery systems, b) developing the simulation model capable of drawing the motion trajectories of the specific points, c) developing the interface between the model and the treatment plan parameters such as couch and gantry parameters for each field. Results: The patient CT images were registered to the treatment couch so the patient dimensions were included into the simulation. The treatment field parameters were structured in the xml-file which was used as the input into the dynamic equations. The trajectories of the moving components were plotted on the same graph using the dynamic equations. If the trajectories intersect that was the signal that collision exists. Conclusion: This CA method was proved to be effective in the simulation of treatment delivery. The proper implementation of this system can potentially improve the QA program and increase the efficacy in the clinical setup.

60 APPLIED LIFE SCIENCES↗

A Conceptual World Information Library (WIL) and Land Use Information System (LUIS) - 16181

The Organization for Economic Co-operation and Development Nuclear Energy Agency initiative on the Preservation of Records, Knowledge and Memory is addressing the topic of communicating with future generations on the location, specific contents, and potential risks associated with deep geologic nuclear waste repositories. At the Waste Isolation Pilot Plant (WIPP) in the United States, the U.S. Department of Energy (DOE) has committed, prior to the facility closure, to develop a Passive Institutional Controls (PICs) program designed to last as long as practicable. A portion of this PICs program includes development of records packages, selection of data storage materials and methods, and a determination of records retention/storage locations. The approved plan for record retention at WIPP includes the storage of information including hard copies of data, figures and maps in multiple libraries and archive record centers. With this in mind, it is easy to envision reams of various paper documents in a robust physical archive record center similar to one of the museums in Washington D.C., or DOE's Legacy Management facility in Morgantown, West Virginia. While some portion of records for nuclear waste burial sites should be maintained in this fashion for near-term retrieval purposes, it is widely accepted that this is not an efficient way to communicate with future generations even 1,000 years from now. Transmitting large detailed volumes of information to the future should be captured in an electronic format; maintained on computers, translated by computers, and perhaps updated by artificial intelligence as machine and human languages change over the centuries. In addition to a physical records development and storage process for transmittal to future generations, a web-based electronic database system should be developed. A World Electronic Library (WEL) database could be funded from various nations and perhaps sanctioned by the United Nations and/or the IAEA. This WEL could contain information regarding several different subjects with the intent of being a one-stop-information-shop for future generations. This database would require updates and maintenance for as long as there is a recipient. One subset of the WEL would be a spatial database containing all the information available to any set of GPS coordinates, anywhere within the world. This Land Use Information System (LUIS) database would contain information on past and present land use, natural resources, known geology, hydrology and atmospheric conditions, potential warnings, and other pertinent information. The LUIS database is where specific electronic information, a subset of all the records data gathered for a nuclear waste repository, could reside. For not only would LUIS provide the information on a nuclear waste repository when specific GPS coordinates were entered; but a search from the LUIS on 'Nuclear Waste Repositories' could bring up information, including data on location of repositories, radionuclides, operations, D and D, maps, and regulations, plus many other details for locations throughout the world. This tool could be used by future generations for a number of land use or resource exploration decisions. So what can we do now? We can agree to the types of information that should be captured into an electronic database for nuclear waste repositories. We can agree to the levels of detail, the file names and the formats, for ease of combining information sets in the future. Perhaps we can agree to a central electronic data storage site, or sites, where this information will reside for import into a centralized electronic record system, if one is ever developed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Ground surface temperature derived Snow Cover Properties, Seward Peninsula, Alaska, 2019-2023

Snow-ground interface temperatures have been collected at the Teller mile marker 27 and Kougarok mile marker 64 field sites on the Seward Peninsula, Alaska from 2019 through 2023 (with data missing from Fall 2020 through Summer 2021 due to COVID). Temperatures were measured using iButton Link DS1921G-F5# Thermochron miniature temperature sensors and Tinytag TGP-4017 internal sensors deployed across the Kougarok 64 and Teller 27 field sites. These sensors are a cost-efficient way to collect snow-ground interface temperatures at a high spatial resolution, and when paired with air temperature data these measurements can provide insight into fine-scale variability in snowpack characteristics across the study sites. From this data, snow process metrics were calculated at each sensor location based on the methods outlined in Staub and Delaloye, 2017. Metrics are calculated daily for each sensor as well as over the entire season. These metrics include ground surface temperature (°C), the number of days under snow cover (number of days), the insulation effect of snow (unitless), the length of the transitional snow periods (number of days), as well as intermediaries such as temperature variability. Calculating these snow processes relies on the assumption that when snow covers a temperature sensor, it is buffered from diurnal fluctuations in air temperature by the insulating snow layer. More information on the calculated metrics can be found in the User Guide of this dataset, as well as in Staub and Delaloye’s 2017 publication Using Near-Surface Ground Temperature Data to Derive Snow Insulation and Melt Indices for Mountain Permafrost Applications. This dataset includes one daily and one seasonal *.csv file of metrics for every year of data, a daily and a seasonal *.csv data dictionary, and one User Guide document (*.pdf) describing data collection and processing.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Scalable Data Management of the Uintah Simulation Framework for Next-Generation Engineering Problems with Radiation

The need to scale next-generation industrial engineering problems to the largest computational platforms presents unique challenges. This paper focuses on data management related problems faced by the Uintah simulation framework at a production scale of 260K processes. Uintah provides a highly scalable asynchronous many-task runtime system, which in this work is used for the modeling of a 1000 megawatt electric (MWe) ultra-supercritical (USC) coal boiler. At 260K processes, we faced both parallel I/O and visualization related challenges, e.g., the default file-per-process I/O approach of Uintah did not scale on Mira. In this paper we present a simple to implement, restructuring based parallel I/O technique. We impose a restructuring step that alters the distribution of data among processes. The goal is to distribute the dataset such that each process holds a larger chunk of data, which is then written to a file independently. This approach finds a middle ground between two of the most common parallel I/O schemes–file per process I/O and shared file I/O–in terms of both the total number of generated files, and the extent of communication involved during the data aggregation phase. To address scalability issues when visualizing the simulation data, we developed a lightweight renderer using OSPRay, which allows scientists to visualize the data interactively at high quality and make production movies. Finally, this work presents a highly efficient and scalable radiation model based on the sweeping method, which significantly outperforms previous approaches in Uintah, like discrete ordinates. The integrated approach allowed the USC boiler problem to run on 260K CPU cores on Mira.

97 MATHEMATICS AND COMPUTING↗

Adiabatic Cooling System Spreadsheet Model for sCO 2

The attached cost and performance spreadsheet model is for an adiabatic cooling system, one of four cooling system models developed for use in optimizing indirectly-heated supercritical CO 2 (sCO 2 ) power cycles. Running the model requires that the user has REFPROP version 9 or below installed, as well as the Microsoft Excel REFPROP Add-In. Upon opening, use Excel’s Edit Links feature to link to the user’s installed REFPROP.xla or REFPROP.xlam file. For the spreadsheet model compatible with REFPROP version 10 and above, contact Nathan Weiland at nathan.weiland@netl.doe.gov. Technical documentation for the model can be found here: https://www.netl.doe.gov/energy-analysis/details?id=3199.

30 DIRECT ENERGY CONVERSION↗

Direct Dry Cooling System Spreadsheet Model for sCO 2

The attached cost and performance spreadsheet model is for a direct dry cooling system, one of four cooling system models developed for use in optimizing indirectly-heated supercritical CO 2 (sCO 2 ) power cycles. Running the model requires that the user has REFPROP version 9 or below installed, as well as the Microsoft Excel REFPROP Add-In. Upon opening, use Excel’s Edit Links feature to link to the user’s installed REFPROP.xla or REFPROP.xlam file. For the spreadsheet model compatible with REFPROP version 10 and above, contact Nathan Weiland at nathan.weiland@netl.doe.gov. Technical documentation for the model can be found here: https://www.netl.doe.gov/energy-analysis/details?id=3199.

30 DIRECT ENERGY CONVERSION↗