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At least 541 records · Page 30

Execute BEE workflows on private cloud infrastructure-2.3.6.01 - LANL ATDM ST / STNS01-22 Milestone Completion Documentation (BEE-FY21 P6-2) [Slides]

This work involves the creation of the Cloud Launcher, a new subcomponent of BEE, and the extension of the BEETaskManager to run on Cloud systems. BEE will be able to interact with the Google Compute Engine and OpenStack cloud APIs to set up simple Cloud clusters for launching HPC job scripts. BEE will use existing functionality to launch jobs that previously could only be launched on HPC systems. The BEETaskManager will handle launching tasks on the Cloud cluster.

97 MATHEMATICS AND COMPUTING↗

Investigating Application of LiDAR for Nuclear Power Plants

Many evaluation, assessment, and modeling tasks at nuclear power plants require spatial in-formation; this often requires physical visits to locations within the facility because the 2D or 3D schematics and current models do not contain enough detail or do not capture as-built and real-world conditions. These visits require extensive manual labor for not only the requesting party, but also support groups, such as security. Light Detection and Ranging (LiDAR) mapping is trying to solve that problem by providing very detailed 3D models for low costs. However, the use of these models can be very limited because either component reference information is missing and too costly to add or there is no way to extract specific spatial data needed for other tools. This report outlines two main efforts. First, to reduce the effort of “Tagging” data in large 3D models, a general Application Programming Interface (API) was developed to import a variety of existing plant database information into a 3D-visualization engine. Filters allow the user to have only zone-specific items listed; then, they can simply click and assign the information to a specific spot or component in the 3D model. The second part of the work is the development of an interface for importing pieces from the3D-LiDAR model into other systems needed for modeling and simulation, outlined around fire modeling. This interface allows for the retrieval of item location and boundaries, enabling the auto generation of models for varying tools.

3D Modelling↗

Understanding Lustre Internals. Second Edition

The Lustre file system has become a preferred storage resource for systems on the Top500 list, and it is often the file system of choice for small- to medium-sized HPC systems that require parallel shared access to data. Several resources exist to help users deploy and configure Lustre, but the same cannot be said for resources that explain the inner workings of the Lustre source code. A previous ORNL technical report entitled "Understanding Lustre Filesystem Internals" (ORNL/TM-2009/117) provided an excellent summary of Lustre subsystem operations. However, that report is over a decade old and is based on Lustre version 1.6. Since that report was published, Lustre has evolved significantly. Several subsystems underwent significant code changes and many new features have been added to the file system, bringing the current Lustre version up to 2.15.This report aims to document and explain the internal workings of the latest version of the Lustre file system. It will provide more complete and up-to-date information than the previous technical report and should serve as a foundational document for anyone interested in Lustre software development. Key data structures will be described along with the APIs used for interaction among the various Lustre subsystems. Although the Lustre software is constantly being developed, the details in this document should remain relevant for the forseeable future.

97 MATHEMATICS AND COMPUTING↗

Phasor-Measurement-Unit-Based Data Analytics Using Digital Twin and PhasorAnalytics Software

A major objective of this project was to apply GE’s commercial machine learning and data analytics toolsets to large-scale, real-world, anonymized Phasor Measurement Unit (PMU) datasets in order to extract signatures, correlated and/or causal factors, and precursor patterns associated with significant power system phenomena. The project had a particular emphasis on extraction of insights relevant to asset health monitoring, real-time load modeling and cybersecurity monitoring. Additionally, the team was directed to undertake a comprehensive data quality analysis for the provided datasets and encouraged to estimate the ‘machine-learning readiness’ of the datasets by documenting any major obstacles to the application of commercial machine learning algorithms. To accomplish the aforementioned objectives, the project team’s work centered around the identification of key event signatures and application of the identified event signatures for event detection and event classification. The industry-validated, semi-supervised machine learning strategy employed for event signature identification involved several major tasks, including data-preprocessing, generation of an overabundance of features, normal data identification, normality modeling, and event signature identification through a methodical, quantitative ranking of features in order of relevance to each studied event type. Throughout the project, data quality issues and mitigation techniques were investigated. In this report, insights are provided regarding the readiness of the provided synchrophasor datasets for application of machine learning and data analytics. The methodologies employed for this technical strategy are summarized in this report. With regards to data preprocessing and feature generation, the provided Training and Test Datasets were ingested into GE’s big data environment. Subsequently, the team applied bad data cleansing and data imputation scripts, event detection scripts, and application programming interfaces (APIs) to the datasets for convenient data access. The project team completed development and validation of dozens of physics-based, statistics-based and transformation-based feature functions used for the extraction of over 60 synchrophasor features. Using a new parallel feature generation technology developed on this project, over 60 features have been rapidly generated for the full two years’ worth of Training and Test Dataset data associated with both the Eastern and Western interconnects. Even accommodating for temporal down-sampling inherent to the feature extraction procedure, this parallel feature generation activity resulted in a massive feature set with a storage requirement approximately equal to that of the raw training dataset itself. With regards to normal data identification and normality modeling, a normality model was built using the feature data extracted from the Training Dataset and iteratively refined subsequent to incremental adjustments and expansions of the Training Dataset feature data. With respect to event characterization and signature identification, an event signature identification pipeline was developed and used in conjunction with the normality model to identify over 15 event signatures for key event categories within the Training Dataset. The identified event signatures were used to characterize hundreds of key events in terms of relative severity, duration, and location of the event. An investigation was undertaken to identify correlated and causal factors involved in transformer events. A separate investigation into temporal trends in ring-down analysis results was undertaken to determine possible associations between system dynamics and various other factors such as loading, season or year. To validate the identified event signatures, additional work was undertaken to develop signature-based anomaly detection and classification tools suitable for convenient application to the synchrophasor datasets. The anomaly detection and classification tools, suitable for online application, were then applied to the entirety of the Eastern Interconnect Training and Test Datasets. Performance of the event detection and classification tools was evaluated upon receipt of the Test Dataset event logs (i.e., the labels for events contained in the Test Dataset), and promising results were obtained despite several challenges (documented herein) associated with application of supervised or semi-supervised machine learning methods to large-scale, anonymized datasets. Finally, the detection and classification tools were used to detect, classify, and characterize thousands of new events not included in the original event logs provided by the DOE within both the Training and Test Datasets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Core Characterization of Bakken Shale from the Bedwell 33-52-1-1H Well, Sheridan County, Montana

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core of the Bedwell 33-52-1-1H well (API 25-091-21920), a wildcat field in Sheridan County, Montana. The primary impetus of this work is to provide a unique dataset to researchers at universities, national laboratories, geological surveys, and other locations for additional analyses. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/bedwell-33-52-1-1h-well. The equipment and techniques used to characterize the full core were non-destructive, enabling future examinations and analyses to be performed on these cores. However, none of the equipment used was suitable for direct visualization of the pore space in fine-grained structures such as those found in shales; fractures, discontinuities, and millimeter scale features were readily detectable with the methods tested. Imaging with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis. A selection of samples (Table 1) were cored, sliced, and powdered for additional characterization analyses. These analyses did involve destructive subsampling of the full core at discrete sections, and the results are presented here in the context of the larger core description. Selected sections of the core were removed from the full core for detailed analyses using the following destructive techniques: bulk inductively coupled plasma-optical emission spectroscopy (ICP-OES), isolation of carbon and sulfur, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and higher resolution CT scan with NETL’s micro-CT scanning systems. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.

04 OIL SHALES AND TAR SANDS↗

Recent Updates in ETOE-2 and MC 2 -3

The MC 2 -3 code is a multigroup cross section generation code for fast reactor applications, developed by Argonne National Laboratory (ANL) under the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In this work, first, the cross section libraries for ENDF/B-VII.1 and ENDF/B-VIII.0 data were generated using the updated ETOE-2 code. Preliminary verification and validation tests of the ENDF/B-VII.1 MC 2 -3 library were performed with the selected fast reactor benchmark problems. Processing and verifying the libraries suggested that significant efforts would be required for thoroughly verifying the ENDF/B-VII.1 MC 2 -3 library and successfully processing the ENDF/B-VIII.0 MC 2 -3 library. Secondly, the cross section generation capability of MC 2 -3 was updated with the intermediate group lattice calculation and the equivalent Dancoff-factor cell (EDC) method to significantly improve the performance of a twodimensional assembly calculation using the method of characteristics (MOC). This effort was made useful in implementing and verifying the EDC method in the Griffin cross section API. Finally, we analyzed a SFR problem, for which unusually large deviations in core eigenvalues from Monte Carlo solutions were reported, by generating multigroup cross sections with MC 2 -3, performing core calculations with DIF3D-VARIANT, and analyzing cross section and eigenvalue results against Monte Carlo solutions. The analysis confirmed that the MC 2 -3/DIF3D solutions were in good agreement with Monte Carlo solutions, providing the correct process of accurately generating broad-group cross sections with MC 2 -3

97 MATHEMATICS AND COMPUTING↗

CO 2 Storage Site Screening Platform Development and CO 2 Storage Resource Analysis in SECARB Offshore Reservoirs Using SAS Viya

A major goal of the SECARB Offshore Partnership (DE-FE0031557) is to screen deep saline aquifers and hydrocarbon reservoirs in the central Gulf of Mexico for CO 2 sequestration and CO 2 -enhanced oil and gas recovery (EOR/EGR) and estimate the corresponding CO 2 storage resources for select reservoirs. CO 2 storage potential associated with offshore CO 2 -EOR is considerable and likely represents “low hanging fruit” for near-term CO 2 storage given the in-place infrastructure in the region. It is for these reasons that this assessment focuses on oil and gas fields. To this end, three major objectives have been completed and include (1) managing geological data derived from different sources, (2) building a reservoir screening platform for CO 2 storage, and (3) ranking the reservoirs based on the estimated CO 2 storage resources. The SAS ® Viya platform was used for data management and analytics. The Viya platform is a cloud service platform that provides data integration, data management, quick analytics, data visualization, machine learning functions, and application programming interfaces (APIs) for multi-programming languages. Different sources of data containing geologic information, reservoir properties, and EOR/EGR information were collected, cleaned, formatted, and loaded into the SAS ® Viya platform for evaluation. The major geological characteristics of both shelf and deep-water areas of the central Gulf were examined and compared to define the appropriate reservoir screening criteria. Next, a CO 2 storage site screening system was built in the SAS ® Viya platform with the pre-defined criteria. Finally, the CO 2 storage resources of the screened reservoirs were calculated and reported at the BOEM field level to identify fields with the highest estimated CO 2 storage resource. The fields with the largest total estimated CO 2 storage resource are located in the Mississippi Canyon protraction area. Due to proximity to the Mississippi Delta (indicative of less infrastructure) and large estimated CO 2 storage resources, future development activities may wish to focus efforts in the Mississippi Canyon protraction area.

02 PETROLEUM↗

Computed Tomography Scanning and Petrophysical Measurements of the Wellington KGS 2-32 Core

This report describes the use of the computed tomography facilities and the Multi-Sensor Core Logger at the National Energy Technology Laboratory in Morgantown, West Virginia to characterize core from the Wellington KGS 2-32 well (API 15-191-22770). Core from the well was obtained as part of the Small-Scale Field Test Demonstrating Carbon Dioxide Sequestration in Arbuckle Saline Aquifer and by CO 2 -Enhanced Oil Recovery at Wellington Field, Sumner County, Kansas (DE-FE0006821). The primary impetus of this work was to capture a detailed a digital representation of the core from the Wellington KGS 2-32 well (Sumner County, Kansas). The collaboration between the U.S. Department of Energy’s (DOE) NETL and the Kansas Geological Survey (KGS) at the University of Kansas enables other research entities to access information about this potential carbon storage location and formations. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/wellington2-32-core.

47 OTHER INSTRUMENTATION↗

OASIS: Open-Source AI Software Infrastructure for Science-SBIR Phase I

OASIS: Open source AI Software Infrastructure for Science is developed for researchers in the scientific domain. OASIS provides a data API to ingest and serve scientific data formats and annotations within AI workflows. It delivers a unique integration of features such as coupling of data to AI models, scalable training, cloud deployment into a cohesive web and command-line interface, and state-of-the-art techniques to debug and enhance AI models.

Chaudhary, Aashish↗

Oak Ridge National Laboratory NCSP Analytical Methods Subtask 3, AMPX Development and Maintenance, and NCSP Nuclear Data Subtask 6, SAMMY Modernization

The modernization of SAMMY continued with consolidation of access to covariance information for adjusted parameters and data in SAMMY. This consolidation allowed for removal of many scratch files. In addition, work was initiated to make the 0K cross section calculation more modular and less dependent on SAMMY global parameters. An initial application programming interface (API) was added to expose cross sections (including resolution broadening) generated by SAMMY to external fitting routines. The processing for thermal moderators in AMPX was updated for selected moderators for which the generated grid was not fine enough. Updated libraries were generated for SCALE. In addition, work continued to fully support new Evaluated Nuclear Data File (ENDF) formats, including the Generalized Nuclear Database Structure (GNDS) in AMPX.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

LANL Nuclear Data Manager Format Specification v1.0

The LANL nuclear data manager tool is a Python utility that downloads nuclear data from the Nuclear Data Team’s website at https://nucleardata.lanl.gov, arranges it, and configures directory listings for nuclear codes such as the MCNP code to consume. In this document, the Version 1.0 API that this tool relies on will be discussed, which will show how an external provider of nuclear data could set up their website to provide a compatible implementation.

97 MATHEMATICS AND COMPUTING↗

Advances in Nuclear Data Evaluation Theory for NCSP [Slides]

The generalized form of the Bayes’ Theorem improves UQ for NCSP of differential and/or integral data evaluations and of applications. It is being implemented in an API for use by SCALE, SAMMY, etc. Extended R-matrix formalism improves evaluations of RRR including direct reactions, direct capture, and the Reich-Moore approx., doorway state reactions with applications to RPI data on lead isotopes. Extended R-Matrix formalism will be implemented into SAMMY post modernization.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Validating Thermal Compensated Deposition using Computed Aided Manufacturing Software

DP Technology Corporation’s flagship product, ESPRIT, is a highly adaptable computer-aided manufacturing system that’s used across industries and continents to create nearly anything. ESPRIT is used to generate toolpath trajectories for traditional subtractive and additive manufacturing (AM) cycles. DP Technology and Oak Ridge National Laboratory have partnered together to improve the generated additive toolpath by means of API simulation. The potential impact of this research is the enhancement of toolpath planning for additive and hybrid manufacturing. Being able to simulate and compensate for various effects such as overheating, and distortion are critical components for the industrial adoption of hybrid manufacturing processes. Industrial applications include the mold & die, automotive, and aerospace industries.

42 ENGINEERING↗

Unified Language Frontend for Physic-Informed AI/ML

Artificial intelligence and machine learning (AI/ML) are becoming important tools for scientific modeling and simulation as in several other fields such as image analysis and natural language processing. ML techniques can leverage the computing power available in modern systems and reduce the human effort needed to configure experiments, interpret and visualize results, draw conclusions from huge quantities of raw data, and build surrogates for physics based models. Domain scientists in fields like fluid dynamics, microelectronics and chemistry can automate many of their most difficult and repetitive tasks or improve the design times by use of the faster ML-surrogates. However, modern ML and traditional scientific highperformance computing (HPC) tend to use completely different software ecosystems. While ML frameworks like PyTorch and TensorFlow provide Python APIs, most HPC applications and libraries are written in C++. Direct interoperability between the two languages is possible but is tedious and error-prone. In this work, we show that a compiler-based approach can bridge the gap between ML frameworks and scientific software with less developer effort and better efficiency. We use the MLIR (multi-level intermediate representation) ecosystem to compile a pre-trained convolutional neural network (CNN) in PyTorch to freestanding C++ source code in the Kokkos programming model. Kokkos is a programming model widely used in HPC to write portable, shared-memory parallel code that can natively target a variety of CPU and GPU architectures. Our compiler-generated source code can be directly integrated into any Kokkosbased application with no dependencies on Python or cross-language interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computed Tomography Scanning and Geophysical Measurements of the Wellington 1-32 Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the U.S. Department of Energy’s (DOE), National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core from the Wellington 1-32 well (API 15-191-22591), a small-scale field test site in the Wellington Field, in Sumner County, Kansas. Wellington 1-32 was drilled in association with the Kansas Geologic Survey’s (KGS) Phase I pre-feasibility study under the DOE-NETL Carbon Storage Assurance Facility Enterprise (CarbonSAFE) program, with the goal of utilizing the Arbuckle Group as a reservoir for CO 2 storage and the potential for stacked reservoir enhanced oil recovery from Mississippian reservoirs.

58 GEOSCIENCES↗

Viability of S3 Object Storage for the ASC Program at Sandia

Recent efforts at Sandia such as DataSEA are creating search engines that enable analysts to query the institution’s massive archive of simulation and experiment data. The benefit of this work is that analysts will be able to retrieve all historical information about a system component that the institution has amassed over the years and make better-informed decisions in current work. As DataSEA gains momentum, it faces multiple technical challenges relating to capacity storage. From a raw capacity perspective, data producers will rapidly overwhelm the system with massive amounts of data. From an accessibility perspective, analysts will expect to be able to retrieve any portion of the bulk data, from any system on the enterprise network. Sandia’s Institutional Computing is mitigating storage problems at the enterprise level by procuring new capacity storage systems that can be accessed from anywhere on the enterprise network. These systems use the simple storage service, or S3, API for data transfers. While S3 uses objects instead of files, users can access it from their desktops or Sandia’s high-performance computing (HPC) platforms. S3 is particularly well suited for bulk storage in DataSEA, as datasets can be decomposed into object that can be referenced and retrieved individually, as needed by an analyst. In this report we describe our experiences working with S3 storage and provide information about how developers can leverage Sandia’s current systems. We present performance results from two sets of experiments. First, we measure S3 throughput when exchanging data between four different HPC platforms and two different enterprise S3 storage systems on the Sandia Restricted Network (SRN). Second, we measure the performance of S3 when communicating with a custom-built Ceph storage system that was constructed from HPC components. Overall, while S3 storage is significantly slower than traditional HPC storage, it provides significant accessibility benefits that will be valuable for archiving and exploiting historical data. There are multiple opportunities that arise from this work, including enhancing DataSEA to leverage S3 for bulk storage and adding native S3 support to Sandia’s IOSS library.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Modernization efforts for the R-Matrix code SAMMY [Slides]

This presentation details modernization efforts for the R-Matrix code SAMMY. It provides an overview of SAMMY, modernization and maintenance goals, modernization accomplishments, covariance data, SAMMY API development, as well as future plans.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗