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At least 1,027 records · Page 57

Ceramography and Thermal Modelling of Irradiated TRISO Particles using BISON

This study presents a comprehensive analysis of irradiated TRISO fuel particles from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program conducted at the Advanced Test Reactor (ATR) as part of my internship. Failure Analysis using high-resolution microscopy was performed to characterize mechanisms in TRISO particle layers, including the kernel, buffer, inner pyrolytic carbon (IPyC), silicon carbide (SiC), and outer pyrolytic carbon (OPyC) coatings. Failure modes were systematically classified. Thermal conductivity properties of each TRISO layer were evaluated through experimental measurements and computational models for use in BISON finite element code. Experimental thermal conductivity values ranged from 0.5 W/m·K for the buffer layer to 168 W/m·K for SiC, while BISON simulations provided averaged values of 0.57 W/m·K (buffer), 4.0 W/m·K (PyC layers), and 15.95 W/m·K (SiC). Temperature-dependent correlations from PARFUME were implemented for kernel thermal properties.

BISON↗

JACC: Leveraging HPC Meta-Programming and Performance Portability with the Just-in-Time and LLVM-based Julia Language

We present JACC (Julia for Accelerators), the first high-level, and performance-portable model for the just-in-time and LLVM-based Julia language. JACC provides a unified and lightweight front end across different back ends available in Julia, enabling the same Julia code to run efficiently on many HPC CPU and GPU targets. We evaluated the performance of JACC for common HPC kernels as well as for the most computationally demanding kernels used in applications, HPCCG, a supercomputing benchmark test for sparse domains, and HARVEY, a blood flow simulator to assist in the diagnosis and treatment of patients suffering from vascular diseases. We carried out the performance analysis on the most advanced US DOE supercomputers: Aurora, Frontier, and Perlmutter. Overall, we show that JACC has a negligible overhead versus vendor-specific solutions, reporting GPU speedups with no extra cost to programmability.

Valero-Lara, Pedro↗

SU-E-J-167: Improvement of Time-Ordered Four Dimensional Cone-Beam CT; Image Mosaicing with Real and Virtual Projections

Purpose: In the previous study, we developed time-ordered fourdimensional (4D) cone-beam CT (CBCT) technique to visualize nonperiodic organ motion, such as peristaltic motion of gastrointestinal organs and adjacent area, using half-scan reconstruction method. One important obstacle was that truncation of projection was caused by asymmetric location of flat-panel detector (FPD) in order to cover whole abdomen or pelvis in one rotation. In this study, we propose image mosaicing to extend projection data to make possible to reconstruct full field-of-view (FOV) image using half-scan reconstruction. Methods: The projections of prostate cancer patients were acquired using the X-ray Volume Imaging system (XVI, version 4.5) on Synergy linear accelerator system (Elekta, UK). The XVI system has three options of FOV, S, M and L, and M FOV was chosen for pelvic CBCT acquisition, with a FPD panel 11.5 cm offset. The method to produce extended projections consists of three main steps: First, normal three-dimensional (3D) reconstruction which contains whole pelvis was implemented using real projections. Second, virtual projections were produced by reprojection process of the reconstructed 3D image. Third, real and virtual projections in each angle were combined into one extended mosaic projection. Then, 4D CBCT images were reconstructed using our inhouse reconstruction software based on Feldkamp, Davis and Kress algorithm. The angular range of each reconstruction phase in the 4D reconstruction was 180 degrees, and the range moved as time progressed. Results: Projection data were successfully extended without discontinuous boundary between real and virtual projections. Using mosaic projections, 4D CBCT image sets were reconstructed without artifacts caused by the truncation, and thus, whole pelvis was clearly visible. Conclusion: The present method provides extended projections which contain whole pelvis. The presented reconstruction method also enables time-ordered 4D CBCT reconstruction of organs with non-periodic motion with full FOV without projection-truncation artifacts. This work was partly supported by the JSPS Core-to-Core Program(No. 23003). This work was partly supported by JSPS KAKENHI 24234567.

60 APPLIED LIFE SCIENCES↗

MO-E-BRB-04: Real-Time Exit-Fluence Delivery Validation

Recent high profile reports of technical failures and human errors causing severe radiation- induced injuries and deaths come in support of the sustained efforts to ensure patient safety in the delivery of radiation treatments. In addition, highly conformal radiation therapies and escalated fraction doses mandate increased and sustained accuracy of the entire radiotherapy process. Consequently, and as a Result of AAPM and ASTRO led efforts patient specific quality assurance for specialized radiation treatments such as IMRT, SRS/SBRT and Arc Therapy had become a three-tier process: Pre-treatment, during treatment, and post treatment patient specific QA. Traditional patient QA consists of pre-treatment data transfer integrity dosimetric verifications and during-treatment geometric verifications. However, as treatment adaptation becomes closer to deployment in the clinics, during treatment validation via exit detectors had become a realistic QA option, permitting plan assessment in near real time. Post-treatment, machine logs allow comparisons of a range of mechanical parameters. A combination of these techniques could be used in evaluating inter-fraction, and intra-fraction delivery over a long time period such as an year, to evaluate the significant errors per site, per treatment technique. This type of data mining over longer periods of time provides the potential to recognize suboptimal radiation treatments, while allowing to identify systematic, possibly significant errors. This would allow creation of a data base of realized errors, small and large in dosimetry that could be for process or equipment improvement. This educational symposium will describe and review patient QA techniques, results, and strategies for patient specific quality assurance. Learning Objectives: review the goals of pre-treatment QA for various specialized procedures review methods and means for pre-treatment QA, limitations and tolerances review the scenarios where Varian/Tomo Log files could be used. review error detection via log file analysis Learn how exit detector signal recorded in log file could be used to improve patient safety understand real-time EPID-based transmission dosimetry methods understand the goals of real-time delivery monitoring CMS Innovation grant. Rapid response supportive and palliative care program for patients with advanced cancer, starts July, 2012; Accuray Inc. Exit detector based QA software evaluation, Sept, 2012-Sept, 2013; ROI GRant from ASTRO “Safety and Quality: IMRT treatment delivery accuracy”.

60 APPLIED LIFE SCIENCES↗

Verification and Validation of the New MCNP6.3 Criticality Features

The MCNP6® code, version 6.3, has been extensively verified and validated for many applications. The use of the same default capabilities existing in the MCNP6.2 code are also used in the verification and validation (V&V) of the MCNP6.3 code. In this paper, selected new features, code enhancements, and bug fixes in the MCNP6.3 code that impact criticality safety applications are described and investigated. More specifically, the changes within the MCNP6.3 code that are studied in this work include both the new fission matrix and the Doppler broadening resonance correction (DBRC) features. For nuclear criticality safety applications, the V&V benchmark problems within the criticality, extended criticality, and Rossi-α suites are used to study the upgrades within the MCNP6.3 code. Some additional investigations into benchmarks at elevated temperatures are used to showcase the impacts of the temperature-specific capabilities.

97 MATHEMATICS AND COMPUTING↗

The effect of self-consistent potentials on EXAFS analysis

A theory program intended for use with extended X-ray-absorption fine structure (EXAFS) spectroscopy and based on the popular FEFF8 is presented. It provides an application programming interface designed to make it easy to integrate high-quality theory into EXAFS analysis software. This new code is then used to examine the impact of self-consistent scattering potentials on EXAFS data analysis by methodical testing of theoretical fitting standards against a curated suite of measured EXAFS data. For each data set, the results of a fit are compared using a well characterized structural model and theoretical fitting standards computed both with and without self-consistent potentials. It is demonstrated that the use of self-consistent potentials has scant impact on the results of the EXAFS analysis.

Instruments & Instrumentation↗

Promoter analysis reveals globally differential regulation of human long non-coding RNA and protein-coding genes

Transcriptional regulation of protein-coding genes is increasingly well-understood on a global scale, yet no comparable information exists for long non-coding RNA (lncRNA) genes, which were recently recognized to be as numerous as protein-coding genes in mammalian genomes. We performed a genome-wide comparative analysis of the promoters of human lncRNA and protein-coding genes, finding global differences in specific genetic and epigenetic features relevant to transcriptional regulation. These two groups of genes are hence subject to separate transcriptional regulatory programs, including distinct transcription factor (TF) proteins that significantly favor lncRNA, rather than coding-gene, promoters. We report a specific signature of promoter-proximal transcriptional regulation of lncRNA genes, including several distinct transcription factor binding sites (TFBS). Experimental DNase I hypersensitive site profiles are consistent with active configurations of these lncRNA TFBS sets in diverse human cell types. TFBS ChIP-seq datasets confirm the binding events that we predicted using computational approaches for a subset of factors. For several TFs known to be directly regulated by lncRNAs, we find that their putative TFBSs are enriched at lncRNA promoters, suggesting that the TFs and the lncRNAs may participate in a bidirectional feedback loop regulatory network. Accordingly, cells may be able to modulate lncRNA expression levels independently of mRNA levels via distinct regulatory pathways. Our results also raise the possibility that, given the historical reliance on protein-coding gene catalogs to define the chromatin states of active promoters, a revision of these chromatin signature profiles to incorporate expressed lncRNA genes is warranted in the future.

59 BASIC BIOLOGICAL SCIENCES↗

Blast-Wave Characteristics Near Site 300

We have developed a procedure for calculating the maximum high-explosive weight limit for use at Site 300 based on the analysis of the blast-wave propagation behavior in the atmosphere. Both analytical and experimental efforts have been involved in the present work, including a literature search, evaluation of other data, measurements of local weather conditions, and implementation of relevant computational programs. Major results of the present effort are • Comparison of the LLNL data with other data reveals discrepancies, suggesting that local effects, such as weather conditions in the downrange regions, may play a role in affecting the wave-propagation behavior. Our measurements of the local weather conditions indeed show that they differ from those at Site 300. • Analyses of other, newer models and data have resulted in the implementation of relevant computer codes, such as the BLASTO code, to be used at Site 300. • A new procedure for predicting the weight limit at Site 300 has been recommended. This new procedure consists of - Site 300 and local valley weather measurements. - The LAP code. - The BLASTO code. The LAP code is a modified SIPS code and computes the acoustic ray trajectories, including the focus ("caustic") locations, under varying local weather conditions. The BLASTO code calculates the peak overpressure vs distance relationship for a given charge weight and weather condition. Both the LAP code and the BLASTO code have been implemented and are operational at Site 300. Future plans include conducting selective tests to verify the validity of the predictive procedure recommended for Site 300.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Teaching Computational Reproducibility for Neuroimaging

We describe a project-based introduction to reproducible and collaborative neuroimaging analysis. Traditional teaching on neuroimaging usually consists of a series of lectures that emphasize the big picture rather than the foundations on which the techniques are based. The lectures are often paired with practical workshops in which students run imaging analyses using the graphical interface of specific neuroimaging software packages. Our experience suggests that this combination leaves the student with a superficial understanding of the underlying ideas, and an informal, inefficient, and inaccurate approach to analysis. To address these problems, we based our course around a substantial open-ended group project. This allowed us to teach: (a) computational tools to ensure computationally reproducible work, such as the Unix command line, structured code, version control, automated testing, and code review and (b) a clear understanding of the statistical techniques used for a basic analysis of a single run in an MR scanner. The emphasis we put on the group project showed the importance of standard computational tools for accuracy, efficiency, and collaboration. The projects were broadly successful in engaging students in working reproducibly on real scientific questions. We propose that a course on this model should be the foundation for future programs in neuroimaging. We believe it will also serve as a model for teaching efficient and reproducible research in other fields of computational science.

60 APPLIED LIFE SCIENCES↗

MCNP Progress & Performance Improvements

Twenty-eight slides give information about the work of the US DOE/NNSA Nuclear Criticality Safety Program on MCNP6 under the following headings: MCNP6.1.1 Release, with ENDF/B-VII.1; Verification/Validation; User Support & Training; Performance Improvements; and Work in Progress. Whisper methodology will be incorporated into the code, and run speed should be increased.

42 ENGINEERING↗

2013 R&D 100 Award: ‘Miniapps’ Bolster High Performance Computing

Two Livermore computer scientists served on a Sandia National Laboratories-led team that developed Mantevo Suite 1.0, the first integrated suite of small software programs, also called "miniapps," to be made available to the high performance computing (HPC) community. These miniapps facilitate the development of new HPC systems and the applications that run on them. Miniapps (miniature applications) serve as stripped down surrogates for complex, full-scale applications that can require a great deal of time and effort to port to a new HPC system because they often consist of hundreds of thousands of lines of code. The miniapps are a prototype that contains some or all of the essentials of the real application but with many fewer lines of code, making the miniapp more versatile for experimentation. This allows researchers to more rapidly explore options and optimize system design, greatly improving the chances the full-scale application will perform successfully. These miniapps have become essential tools for exploring complex design spaces because they can reliably predict the performance of full applications.

97 MATHEMATICS AND COMPUTING↗

FESTR: Finite-Element Spectral Transfer of Radiation spectroscopic modeling and analysis code (New Version Announcement)

We report on the release of a new version of the FESTR (P. Hakel, Comput. Phys. Commun. 207 (2016) 415–425., https://github.com/LANLhakel/FESTR) spectral postprocessor of hydrodynamic simulations of hot, dense plasmas. Based on given time histories of one-, two-, and three-dimensional spatial distributions of materials, and their local temperature and density conditions, spectroscopically-resolved signals are computed. The effects of radiation emission and absorption by the plasma on the emergent spectra are simultaneously taken into account. Furthermore this program can also be used independently of hydrodynamic calculations to analyze available experimental data with the goal of inferring plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Domain Specific Language Support for Exascale. Final Project Report

The project developed a domain specific translator enable legacy MPI source code to tolerate communication delays, which are increasing over time due to technological factors. The translator performs source-to-source translation that incorporates semantic information into the translation process. The output of the translator is a C program runs as a data driven program, and uses an existing run time to overlap communication automatically

97 MATHEMATICS AND COMPUTING↗

Mini Report: LLMs on Code Translation

The goal of this mini report is to give opinions on the current state of the art in large language model (LLM) assisted code translation, which aims to replicate the behavior of a program written in one programming language to another. The first section provides our overall sense of literature and suggested directions of research, and the second section summarizes a few of the most relevant papers in greater depth.

97 MATHEMATICS AND COMPUTING↗

Classical and integrated multicomponent geothermometry at the Tengchong geothermal field, Southwestern China

To reconstruct deep fluid chemical composition and increase the confidence in estimated reservoir temperatures, a more integral geothermometry method was compared to other classical geothermometers. Here in this paper, we apply the integrated multicomponent geothermometry (IMG) method using the GeoT code to estimate reservoir temperatures at the Tengchong geothermal field in Southwestern China. Results show reservoir temperatures calculated using the quartz geothermometer are closest to those estimated with the IMG method. The concentrations of Al and Mg, as well as selected minerals for geothermometry computations, are key factors for successfully using the IMG. Using the IMG method together with classical geothermometers can significantly increase confidence in reservoir temperature estimations. The methods presented and simulation program used here may be useful for analysis of other geothermal fields under similar conditions.

15 GEOTHERMAL ENERGY↗

Comparison of experimental and simulated critical heat flux tests with various cladding alloys: Sensitivity of iron-chromium-aluminum (FeCrAl) to heat transfer coefficients and material properties

In this paper we analyze the differences between previous transient critical heat flux (CHF) experiments using iron-chromium-aluminum (FeCrAl), Inconel 600, and stainless steel 316 (SS316) alloy test sections and best-estimate modeling results from widely-used nuclear engineering systems and subchannel analysis tools. FeCrAl is an Accident Tolerant Fuel (ATF) candidate cladding material. The thermal hydraulic performance and safety characteristics of FeCrAl are being evaluated to determine viability as a cladding material in Light Water Reactors (LWRs). In this study, the results of the CHF experiments conducted at atmospheric pressure and fixed inlet coolant temperature and mass flux are compared to models built in the fifth version of the Reactor Excursion and Leak Analysis Program (RELAP5-3D) and CTF, the modernized version of COBRA-TF developed by the Consortium for Advanced Simulation of LWRs (CASL). Results from RELAP5-3D and CTF showed differences from the experiments and from each other in predicting CHF. In the Inconel 600 case, both computational tools overpredicted CHF, which led to an underprediction in the tube outer surface temperature. In the SS316 and FeCrAl cases, CHF was underpredicted by the codes, leading to an overprediction of the tube outer surface temperature. To understand the discrepancies in CHF and post-CHF predictions, studies were performed using RELAP5-3D and RAVEN to determine the sensitivity of CHF and peak test section temperature, an analog to peak cladding temperature (PCT), to heat transfer coefficients, a CHF multiplier, and uncertainties in the thermal conductivity and volumetric heat capacity. We found that CHF depends most strongly on the CHF multiplier and thermophysical properties. A combination of these factors that produced the best match to the experiment based on CHF, PCT, and the total energy deposited into the tube was determined. The best match parameters were able to provide best-estimate predictions of the CHF and integral heat flux, but were still conservative when predicting the PCT. The best match set of parameters developed in this paper are intended only as a demonstration of an approach that could be applied in the future with a larger set of experiments to produce more accurate models of CHF and post-CHF behavior.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Matilda v1.0: An R package for probabilistic climate projections using a reduced complexity climate model

A primary advantage to using reduced complexity climate models (RCMs) has been their ability to quickly conduct probabilistic climate projections, a key component of uncertainty quantification in many impact studies and multisector systems. Providing frameworks for such analyses has been a target of several RCMs used in studies of the future co-evolution of the human and Earth systems. In this paper, we present Matilda, an open-science R software package that facilitates probabilistic climate projection analysis, implemented here using the Hector simple climate model in a seamless and easily applied framework. The primary goal of Matilda is to provide the user with a turn-key method to build parameter sets from literature-based prior distributions, run Hector iteratively to produce perturbed parameter ensembles (PPEs), weight ensembles for realism against observed historical climate data, and compute probabilistic projections for different climate variables. This workflow gives the user the ability to explore viable parameter space and propagate uncertainty to model ensembles with just a few lines of code. The package provides significant freedom to select different scoring criteria and algorithms to weight ensemble members, as well as the flexibility to implement custom criteria. Additionally, the architecture of the package simplifies the process of building and analyzing PPEs without requiring significant programming expertise, to accommodate diverse use cases. We present a case study that provides illustrative results of a probabilistic analysis of mean global surface temperature as an example of the software application.

54 ENVIRONMENTAL SCIENCES↗

ATRC Neutron Detector Testing Quick Look Report

As part of the Advanced Test Reactor (ATR) National Scientific User Facility (NSUF) program, a joint Idaho State University (ISU) / French Alternative Energies and Atomic Energy Commission (CEA) / Idaho National Laboratory (INL) project was initiated in FY-10 to investigate the feasibility of using neutron sensors to provide online measurements of the neutron flux and fission reaction rate in the ATR Critical Facility (ATRC). A second objective was to provide initial neutron spectrum and flux distribution information for physics modeling and code validation using neutron activation based techniques in ATRC as well as ATR during depressurized operations. Detailed activation spectrometry measurements were made in the flux traps and in selected fuel elements, along with standard fission rate distribution measurements at selected core locations. These measurements provide additional calibration data for the real-time sensors of interest as well as provide benchmark neutronics data that will be useful for the ATR Life Extension Program (LEP) Computational Methods and V&V Upgrade project. As part of this effort, techniques developed by Prof. George Imel will be applied by Idaho State University (ISU) for assessing the performance of various flux detectors to develop detailed procedures for initial and follow-on calibrations of these sensors. In addition to comparing data obtained from each type of detector, calculations will be performed to assess the performance of and reduce uncertainties in flux detection sensors and compare data obtained from these sensors with existing integral methods employed at the ATRC. The neutron detectors required for this project were provided to team participants at no cost. Activation detectors (foils and wires) from an existing, well-characterized INL inventory were employed. Furthermore, as part of an on-going ATR NSUF international cooperation, the CEA sent INL three miniature fission chambers (one for detecting fast flux and two for detecting thermal flux) with associated electronics for assessment. In addition, Prof. Imel, ISU, has access to an inventory of Self-Powered Neutron Detectors (SPNDs) with a range of response times as well as Back-to-Back (BTB) fission chambers from prior research he conducted at the Transient REActor Test Facility (TREAT) facility and Neutron RADiography (NRAD) reactors. Finally, SPNDs from the National Atomic Energy Commission of Argentina (CNEA) were provided in connection with the INL effort to upgrade ATR computational methods and V&V protocols that are underway as part of the ATR LEP. Work during fiscal year 2010 (FY10) focussed on design and construction of Experiment Guide Tubes (EGTs) for positioning the flux detectors in the ATRC N-16 locations as well as obtaining ATRC staff concurrence for the detector evaluations. Initial evaluations with CEA researchers were also started in FY10 but were cut short due to reactor reliability issues. Reactor availability issues caused experimental work to be delayed during FY11/12. In FY13, work resumed; and evaluations were completed. The objective of this "Quick Look" report is to summarize experimental activities performed from April 4, 2013 through May 16, 2013.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗