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All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Sustaining the National Geothermal Data System: Considerations for a System Wide Approach and Node Maintenance, Geothermal Resources Council 37th Annual Meeting, Las Vegas, Nevada, September 29-October 2, 2013

Since the 2009 American Recovery and Reinvestment Act the U.S. Department of Energy’s Geothermal Technologies Office has funded $33.7 million for multiple data digitization and aggregation projects focused on making vast amounts of geothermal relevant data available to industry for advancing geothermal exploration. These projects are collectively part of the National Geothermal Data System (NGDS), a distributed, networked system for maintaining, sharing, and accessing data in an effort to lower the levelized cost of electricity (LCOE). Determining “who owns” and “who maintains” the NGDS and its data nodes (repositories in the distributed system) is yet to be determined. However, the invest- ment in building and populating the NGDS has been substantial, both in terms of dollars and time; it is critical that this investment be protected by ensuring sustainability of the data, the software and systems, and the accessibility of the data. Only then, will the benefits be fully realized. To keep this operational system sustainable will require four core elements: continued serving of data and applications; maintenance of system operations; a governance structure; and an effective business model. Each of these presents a number of challenges. Data being added to the NGDS are not strictly geothermal but data considered relevant to geothermal exploration and develop- ment, including vast amounts of oil and gas and groundwater wells, among other data. These are relevant to a broader base of users. By diversifying the client base to other users and other fields, the cost of maintaining core infrastructure can be spread across an array of stakeholders and clients. It is presumed that NGDS will continue to provide free and open access to its data resources. The next-phase NGDS operation should be structured to eventually pursue revenue streams to help off-set sustainability expenses as necessary and appropriate, potentially including income from: grants and contracts (agencies, foundations, pri- vate sector), membership, fees for services (consulting, training, customization, ‘app’ development), repository services (data, services, apps, models, documents, multimedia), advertisements, fees for premier services or applications, subscriptions to value added services, licenses, contributions and donations, endow- ments, and sponsorships.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Machine Learning Classification of Molten Salt Heat Exchanger Channel Plugging using Synthetic Data

This report addresses the requirements of Milestone M3.4 AI capability to identify and predict maintenance events. Development of digital twins (DT) for molten salt reactor (MSR) components is crucial for reducing operating and maintenance costs (O&M) and ensuring commercial viability of these reactors. Our focus is on development of DT for MSR primary system heat exchanger (HX), a critical component, the fault in which can reduce operating efficiency and force reactor shutdown. We are investigating the feasibility of a conceptual DT of HX consisting of internal distributed temperature sensing with fiber optics and machine learning (ML) algorithms to detect and localize faults. To determine the optimal approach to detection and localization of channel plugging, we benchmark seven different ML models: Logistic Regression, K-Nearest Neighbors (KNN), Gaussian Naïve Bayes, Support Vector Machines (SVM), Decision Tree Classifier, Random Forest Tree Classifier, and Feed-Forward Neural Network. ML algorithms are benchmarked using synthetic HX plugging data generated with computational fluid dynamics COMSOL software, with added brown noise to represent experimental noise. We show that the best performance is obtained with the Decision Tree classifier.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Secure Control Systems for the Energy Sector

Schweitzer Engineering Laboratories (SEL) will conduct the Hallmark Project to address the need to reduce the risk of energy disruptions because of cyber incidents on control systems. The goals is to develop solutions that can be both applied to existing control systems and designed into new control systems to add the security measures needed to mitigate energy network vulnerabilities. The scope of the Hallmark Project contains four primary elements: 1. Technology transfer of the Secure Supervisory Control and Data Acquisition (SCADA) Communications Protocol (SSCP) from Pacific Northwest National Laboratories (PNNL) to Schweitzer Engineering Laboratories (SEL). The project shall use this technology to develop a Federal Information Processing Standard (FIPS) 140-2 compliant original equipment manufacturer (OEM) module to be called a Cryptographic Daughter Card (CDC) with the ability to directly connect to any PC enabling that computer to securely communicate across serial to field devices. Validate the OEM capabilities with another vendor. 2. Development of a Link Authenticator Module (LAM) using the FIPS 140-2 validated Secure SCADA Communications Protocol (SSCP) CDC module with a central management software kit. 3. Validation of the CDC and Link Authenticator modules via laboratory and field tests. 4. Creation of documents that record the impact of the Link Authenticator to the operators of control systems and on the control system itself. The information in the documents can assist others with technology deployment and maintenance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2013

Borrego springs microgrid demonstration project

SDG&E has been developing and implementing the foundation for its Smart Grid platform for three decades – beginning with its innovations in automation and control technologies in the 1980s and 1990s, through its most recent Smart Meter deployment and re-engineering of operational processes enabled by new software applications in its OpEx 20/20 (Operational Excellence with a 20/20 Vision) program. SDG&E’s Smart Grid deployment efforts have been consistently acknowledged by industry observers. SDG&E’s commitment and progress has been recognized by IDC Energy Insights and Intelligent Utility Magazine as the nation’s “Most Intelligent Utility” for three consecutive years, winning this award each year since its inception. SDG&E also received the “Top Ten Utility” award for excellence in Smart Grid development from GreenTech Media.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Status Report on the INL IES Plug-and-Play Framework

This report discusses the advancements and status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and usage, which aims to ease the sharing and simulation of complex dynamic models. This report discusses the FMI/FMU development advancements, overall focusing on the deployment of methodologies for RAVEN to export and use FMI/FMU of both Python-based models and advanced AI-constructed algorithms.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Power Grid Computational Challenges and Metrics for Hardware Accelerator Evaluation

The objective of this document is to support the DMC initiative’s research on hardware and software development. Our focus is on the power grid domain that has a rich diversity of numerical and computationally challenging applications. Through this document, we highlight two core building blocks, power flow, and transient stability equations, for power grid applications. Improving computational robustness and acceleration of these core blocks will tremendously benefit all power grid applications. We also highlight the most computationally dominant numerical kernels that are being used in power flow and transient stability.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Computation of Effective Radiative Properties of Powders for Selective Laser Sintering Simulations

Selective laser sintering (SLS) is an additive manufacturing technique for rapidly creating parts directly from a computer-aided design (CAD) model by using a laser to fuse successive layers of powder. However, better understanding of the effect of particle-level variations on the overall build quality is needed. In this work, we investigated these effects computationally by considering the role of the particle size distribution and variations in the powder bed depth to mimic the part complexity found in overhangs and protrusions. In addition, the results from these studies can be distilled to obtain better effective material properties such as laser absorptivity and laser extinction coefficient that are needed for continuum models of the process. We implement a Monte Carlo ray-tracing algorithm within the discrete element model in the open-source simulation software MFiX. Random, loose-packed, particle bed structures are generated, and effective absorptivity and extinction coefficients are calculated. Results are compared against previous computational and experimental measurements for free, monodisperse, and deep powder beds, with good agreement being obtained. Correlations along with uncertainties are developed to allow the effective absorptivity and extinction coefficient as a function of various particle and operational parameters to be accurately set in SLS macroscale models.

Moser, Daniel↗
DOE OSTI2015

Independent calculation of monitor units for VMAT and SPORT

Purpose: Dose and monitor units (MUs) represent two important facets of a radiation therapy treatment. In current practice, verification of a treatment plan is commonly done in dose domain, in which a phantom measurement or forward dose calculation is performed to examine the dosimetric accuracy and the MU settings of a given treatment plan. While it is desirable to verify directly the MU settings, a computational framework for obtaining the MU values from a known dose distribution has yet to be developed. This work presents a strategy to calculate independently the MUs from a given dose distribution of volumetric modulated arc therapy (VMAT) and station parameter optimized radiation therapy (SPORT). Methods: The dose at a point can be expressed as a sum of contributions from all the station points (or control points). This relationship forms the basis of the proposed MU verification technique. To proceed, the authors first obtain the matrix elements which characterize the dosimetric contribution of the involved station points by computing the doses at a series of voxels, typically on the prescription surface of the VMAT/SPORT treatment plan, with unit MU setting for all the station points. An in-house Monte Carlo (MC) software is used for the dose matrix calculation. The MUs of the station points are then derived by minimizing the least-squares difference between doses computed by the treatment planning system (TPS) and that of the MC for the selected set of voxels on the prescription surface. The technique is applied to 16 clinical cases with a variety of energies, disease sites, and TPS dose calculation algorithms. Results: For all plans except the lung cases with large tissue density inhomogeneity, the independently computed MUs agree with that of TPS to within 2.7% for all the station points. In the dose domain, no significant difference between the MC and Eclipse Anisotropic Analytical Algorithm (AAA) dose distribution is found in terms of isodose contours, dose profiles, gamma index, and dose volume histogram (DVH) for these cases. For the lung cases, the MC-calculated MUs differ significantly from that of the treatment plan computed using AAA. However, the discrepancies are reduced to within 3% when the TPS dose calculation algorithm is switched to a transport equation-based technique (Acuros™). Comparison in the dose domain between the MC and Eclipse AAA/Acuros calculation yields conclusion consistent with the MU calculation. Conclusions: A computational framework relating the MU and dose domains has been established. The framework does not only enable them to verify the MU values of the involved station points of a VMAT plan directly in the MU domain but also provide a much needed mechanism to adaptively modify the MU values of the station points in accordance to a specific change in the dose domain.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

A Robust and Versatile Method of Combinatorial Chemical Synthesis of Gene Libraries via Hierarchical Assembly of Partially Randomized Modules

A major challenge in gene library generation is to guarantee a large functional size and diversity that significantly increases the chances of selecting different functional protein variants. The use of trinucleotides mixtures for controlled randomization results in superior library diversity and offers the ability to specify the type and distribution of the amino acids at each position. Here we describe the generation of a high diversity gene library using tHisF of the hyperthermophile Thermotoga maritima as a scaffold. Combining various rational criteria with contingency, we targeted 26 selected codons of the thisF gene sequence for randomization at a controlled level. We have developed a novel method of creating full-length gene libraries by combinatorial assembly of smaller sub-libraries. Full-length libraries of high diversity can easily be assembled on demand from smaller and much less diverse sublibraries, which circumvent the notoriously troublesome long-term archivation and repeated proliferation of high diversity ensembles of phages or plasmids. We developed a generally applicable software tool for sequence analysis of mutated gene sequences that provides efficient assistance for analysis of library diversity. Finally, practical utility of the library was demonstrated in principle by assessment of the conformational stability of library members and isolating protein variants with HisF activity from it. Our approach integrates a number of features of nucleic acids synthetic chemistry, biochemistry and molecular genetics to a coherent, flexible and robust method of combinatorial gene synthesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

National Geothermal Data System: Case Studies on Exploration and Development of Potential Geothermal Sites Through Distributed Data Sharing

The NGDS released version 1 of the system on April 30, 2014 using the US Geoscience Information Network (USGIN) as its data integration platform. NGDS supports the 2013 Open Data Policy, and as such, the launch was featured at the 2014 Energy Datapalooza. Currently, the NGDS features a comprehensive user interface for searching and accessing nearly 41,000 documents and more than 9 million data points shared by scores of data providers across the U.S. The NGDS supports distributed data sharing, permitting the data owners to maintain the raw data that is made available to the consumer. Researchers and industry have been utilizing the NGDS as a mechanism for promoting geothermal development across the country, from hydrothermal to ground source heat pump applications. Case studies in geothermal research and exploration from across the country are highlighted.

15 GEOTHERMAL ENERGY↗
DOE OSTI2011

p4est : Scalable Algorithms for Parallel Adaptive Mesh Refinement on Forests of Octrees

We present scalable algorithms for parallel adaptive mesh refinement and coarsening (AMR), partitioning, and 2:1 balancing on computational domains composed of multiple connected two-dimensional quadtrees or three-dimensional octrees, referred to as a forest of octrees. By distributing the union of octants from all octrees in parallel, we combine the high scalability proven previously for adaptive single-octree algorithms with the geometric flexibility that can be achieved by arbitrarily connected hexahedral macromeshes, in which each macroelement is the root of an adapted octree. A key concept of our approach is an encoding scheme of the interoctree connectivity that permits arbitrary relative orientations between octrees. Based on this encoding we develop interoctree transformations of octants. These form the basis for high-level parallel octree algorithms, which are designed to interact with an application code such as a numerical solver for partial differential equations. We have implemented and tested these algorithms in the p4est software library. We demonstrate the parallel scalability of p4est on its own and in combination with two geophysics codes. Using p4est we generate and adapt multioctree meshes with up to $5.13\times10^{11}$ octants on as many as 220,320 CPU cores and execute the 2:1 balance algorithm in less than 10 seconds per million octants per process.

Mathematics↗
DOE OSTI2021

Role-Based Access Control for Distributed Energy Resources v.1.0

The Role-Based Access Control (RBAC) for Distributed Energy Resources (DER) software is an automated and transparent stack for RBAC administrators to interact with RBAC policy. The package includes demonstrations of centralized and decentralized RBAC implementation. Both include simulated DER entities that are stored automatically in a centralized Lightweight Directory Access Protocol (LDAP) server. It also includes a REST-API to serve the HTTP requests of the RBAC administrators. A complete front-end is included to serve the users' needs. This software may be used by industry (DER vendors/utilities) as well as the research community to determine if a centralized or decentralized solution fits better the needs of an RBAC model in a DER environment. Additionally, parts of this software may be useful for developing implementations for specific needs. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-8292 O

Johnson, Jay↗
DOE OSTI2015

Foundational Report Series: Advanced Distribution Management Systems for Grid Modernization

This report describes the application functions for distribution management systems (DMS). The application functions are those surveyed by the IEEE Power and Energy Society’s Task Force on Distribution Management Systems. The description of each DMS application includes functional requirements and the key features and characteristics in current and future deployments, as well as a summary of the major benefits provided by each function to stakeholders — from customers to shareholders. Due consideration is paid to the fact that the realizable benefits of each function may differ by type of utility, whether investor-owned, cooperative, or municipal. This report is sufficient to define the functional requirements of each application for system procurement (request-for-proposal [RFP]) purposes and for developing preliminary high-level use cases for those functions. However, it should not be considered a design document that will enable a vendor or software developer to design and build actual DMS applications.

Wang, Jianhui↗
DOE OSTI2018

Transient Unsaturated Zone Modeling of Radioactive Waste Pits at Los Alamos National Laboratory - 87544 - 18432

Waste disposals at Material Disposal Area G (MDA G) at Los Alamos National Laboratory (LANL) occur primarily in a series of long, rectangular pits into which layers of waste have been emplaced beginning in the late 1950's. MDA G is situated in north-central New Mexico on top of Mesita del Buey, a narrow 3 km long mesa in the Parajito Plateau. The mesa is composed primarily of volcanic tuff from two principle volcanic eruptions in the Jemez Mountains which deposited the Otowi and Tshirege Members of the Bandelier Tuff. The Cerros del Rio Basalt underlay the tuff units and extends down for approximately 200 meters. The water table lies within the basalts at around 300 m below the surface of the mesa. The local climate is temperate and semiarid, averaging around 34 cm of precipitation per year. Ambient subsurface moisture conditions are dry, with water content typically below 10%. During disposal operations, open pits are subject to enhanced infiltration compared to the final covered configuration due to the unvegetated disturbed surface and precipitation events. Additionally, water added to the pits during disposal operations for tasks like waste compaction and dust suppression introduces additional moisture to the system during disposal operations that could potentially provide a pathway for contaminants in the waste zone to migrate through the unsaturated zone. Modeling was conducted using the HYDRUS-2D/3D software to evaluate the spatial extent of saturation changes and fluxes across geologic layer interfaces in the unsaturated zone throughout the life cycle of a waste pit. A general 2-dimensional framework was developed that included a cross section of a waste pit and the underlying geologic units. Several geological layerings were developed to represent the variation across the mesa at Area G. The model was run stochastically for hundreds of realizations to understand how variations in hydraulic parameters (e.g., porosity, saturated hydraulic conductivity, Van Genuchten parameters, etc.) and operational parameters (e.g., pit open period duration, pit depth, initial saturation of the waste zone, etc.) affect the extent of saturation changes and fluxes in the deep unsaturated zone. Distributions for these parameters were developed based on available site data. Results of the unsaturated zone modeling indicate that a significant amount of water can reach the lower unsaturated zone under some circumstances, particularly when the amount of water introduced during pit operations is high. A statistical study of modeling results was performed to develop a regression that describes the variations of water flux in time at the geological layer interfaces. These statistical model results will be used to evaluate solute transport in a future effort. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Innovating the next generation of commercial smart building software

Nearly 30% of commercial building energy use is wasted due to equipment faults and HVAC controls problems. The result is increased emissions, compromised comfort and productivity, and less reliable coordination of building power needs with a clean grid. The energy impact alone represents $17 billion in potential savings. Today’s smart building software provides a robust solution to address these operational deficiencies. Energy management and information systems (EMIS) are saving up to 9% on average, with two-year paybacks. They are being incorporated into energy management processes, commissioning services, and utility programs. As effective as they are, two barriers prevent even deeper benefits; limited personnel to fix problems once they are identified, and the expense and time to manually implement changes in control systems. In partnership with the research community, the EMIS industry is developing new capabilities to overcome these barriers. Moving beyond siloed products for either fault detection and diagnostics, or optimal control, these new capabilities empower users to not only automatically identify faults, but also to push corrective action, and control improvements to their buildings. In this paper, several areas for enhancements are documented: ‘one-time’ correction of faults such as setpoints, schedules, and economizer lockouts; short-term active testing for automated proportional integral derivative (PID) loop tuning and functional testing; and continuous supervisory control for demand flexibility and year-round efficiency. Results are presented from a pair of partner implementations out of a dozen providers integrating these enhancements into their products, including field tests from across the country, and insights into operator acceptance and integration into operations and maintenance practices.

Casillas, Armando↗
DOE OSTI2017

Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation

Multiphase flows are ubiquitous in many industrial processes. The inherent coupling of different phases poses many unique challenges in predicting and effectively controlling these processes. Hence, computational modeling and simulation offers a viable approach to overcome these challenges. Here in this study, we present recent development efforts for enhancing the physical modeling capabilities of an open-source computational modeling tool for real life industrial multiphase processes by enabling particle-size polydispersity and demonstrating with an associated validation study. The proposed implementation was performed in MFIX open-source framework due to its unique feature of tightly integrated computational fluid dynamics and discrete element method solvers for simulating coupled continuum fluid and granular flows. We have implemented the polydispersity feature in a minimally invasive way and provided means to allow easy specification of an arbitrary particle size distribution function, which also enables the user to easily handle an arbitrary number of solid phases, each possessing a distinct arbitrary particle-size distribution. To establish the credibility of improvements, we have carried out a preliminary verification and validation (V&V) study for the polydispersity feature by employing a hopper bin discharge problem, which is frequently encountered in industrial applications. Specifically, two types of micro-glass beads with distinct size distributions are used to fill the hopper in two possible packing arrangements, i.e., well-mixed and layered configurations, with varying mass (particle number) ratios. The experimentally obtained discharge dynamics (e.g., normalized discharge mass fraction for one of the phases versus the overall discharge mass fraction) for different systems is found to be in excellent agreement with the corresponding simulation results.

42 ENGINEERING↗
DOE OSTI2020

Distributed-Memory Parallel Symmetric Nonnegative Matrix Factorization

We develop the first distributed-memory parallel implementation of Symmetric Nonnegative Matrix Factorization (SymNMF), a key data analytics kernel for clustering and dimensionality reduction. Our implementation includes two different algorithms for SymNMF, which give comparable results in terms of time and accuracy. The first algorithm is a parallelization of an existing sequential approach that uses solvers for non symmetric NMF. The second algorithm is a novel approach based on the Gauss-Newton method. It exploits second-order information without incurring large computational and memory costs. We evaluate the scalability of our algorithms on the Summit system at Oak Ridge National Laboratory, scaling up to 128 nodes (4,096 cores) with 70% efficiency. Additionally, we demonstrate our software on an image segmentation task.

Eswar, Srinivas↗
DOE OSTI2013

ADVANTG An Automated Variance Reduction Parameter Generator

The AutomateD VAriaNce reducTion Generator (ADVANTG) software automates the generation of variance reduction (VR) parameters for continuous-energy Monte Carlo simulations of fixed-source neutron, photon, and coupled neutron-photon transport problems using MCNP5 (X-5 Monte Carlo Team 2003). ADVANTG generates space- and energy dependent mesh-based weight-window bounds and biased source distributions from three dimensional (3-D) discrete ordinates (SN) calculations that are performed by the Denovo package (Evans et al. 2010). The deterministic calculations can be performed using multiple cores and/or processors (e.g., on multi-core desktop systems and clusters). The final variance reduction parameters are output in a format that can be used with unmodified versions of MCNP. The primary objective of the development of ADVANTG has been to reduce both the user effort and the computational time required to obtain accurate and precise tally estimates across a broad range of challenging transport application areas.

ADVANTG↗