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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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The Contingency Contractor Optimization Tool – Prototype (CCOT-P) database is used to store input and output data for the linear program model described in [1]. The database allows queries to retrieve this data and updating and inserting new input data.
Data from sensors incorporated into mobile devices, such as networked navigational sensors, can be used to capture detailed environmental information. We describe here a workflow and framework for using sensors on boats to construct unique new datasets of underwater topography (bathymetry). Starting with a large number of measurements of position, depth, etc., obtained from such an Internet of Floating Things, we illustrate how, with a specialized protocol, data can be communicated to cloud resources, even when using delayed, intermittent, or disconnected networks. We then propose a method for automatic sensor calibration based on a novel reputation approach. Sampled depth data are interpolated efficiently on a cloud computing platform in order to provide a continuously updated bathymetric database. Our prototype implementation uses the FACE-IT Galaxy workflow engine to manage network communication and exploits the computational power of GPGPUs in a virtualized cloud environment, working with a CUDA-parallel algorithm, for efficient data processing. We report on an initial evaluation involving data from a sailing vessel in Italian coastal waters.
Conditions data infrastructure for both ATLAS and CMS have to deal with the management of several Terabytes of data. Distributed computing access to this data requires particular care and attention to manage request-rates of up to several tens of kHz. Thanks to the large overlap in use cases and requirements, ATLAS and CMS have worked towards a common solution for conditions data management with the aim of using this design for data-taking in Run 3. In the meantime other experiments, including NA62, have expressed an interest in this cross- experiment initiative. For experiments with a smaller payload volume and complexity, there is particular interest in simplifying the payload storage. The conditions data management model is implemented in a small set of relational database tables. A prototype access toolkit consisting of an intermediate web server has been implemented, using standard technologies available in the Java community. Access is provided through a set of REST services for which the API has been described in a generic way using standard Open API specications, implemented in Swagger. Such a solution allows the automatic generation of client code and server stubs and further allows changes in the backend technology transparently. An important advantage of using a REST API for conditions access is the possibility of caching identical URLs, addressing one of the biggest challenges that large distributed computing solutions impose on conditions data access, avoiding direct DB access by means of standard web proxy solutions.
The discovery of high-performing and stable materials for sustainable energy applications is a pressing goal in catalysis and materials science. Understanding the relationship between a material’s structure and functionality is an important step in the process, such that viable polymorphs for a given chemical composition need to be identified. Machine-learning-based surrogate models have the potential to accelerate the search for polymorphs that target specific applications. Herein, we report a readily generalizable active-learning (AL) accelerated algorithm for identification of electrochemically stable iridium oxide polymorphs of IrO 2 and IrO 3 . The search is coupled to a subsequent analysis of the electrochemical stability of the discovered structures for the acidic oxygen evolution reaction (OER). Structural candidates are generated by identifying all 956 structurally unique AB2 and AB3 prototypes in existing materials databases (more than 38000). Next, using an active learning approach, we find 196 IrO 2 polymorphs within the thermodynamic amorphous synthesizability limit and reaffirm the global stability of the rutile structure. We find 75 synthesizable IrO 3 polymorphs and report a previously unknown FeF 3 -type structure as the most stable, termed α-IrO 3 . To test the algorithms performance, we compare to a random search of the candidate space and report at least a 2-fold increase in the rate of discovery. Additionally, the AL approach can acquire the most stable polymorphs of IrO 2 and IrO 3 with fewer than 30 density functional theory optimizations. Analysis of the structural properties of the discovered polymorphs reveals that octahedral local coordination environments are preferred for nearly all low-energy structures. Subsequent Pourbaix Ir–H 2 O analysis shows that α-IrO3 is the globally stable solid phase under acidic OER conditions and supersedes the stability of rutile IrO 2 . Calculation of theoretical OER surface activities reveal ideal weaker binding of the OER intermediates on α-IrO 3 than on any other considered iridium oxide. We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.
This report highlights overall design consideration regarding automation and database collection and extrapolation prototype for Farmpod, LLC. There are potentially many combinations of software, hardware, and networking which suffices for the requirements. For this report, we suggest a Raspberry Pi 2 Model B for the hardware. We suggest the Mako application server for the user interface and RPIO python modules for automated software processes. At the present moment, security is not a major concern, but should be addressed during the initial design phase. The software stack consists of two primary components: the automated processes and application server to implement a user interface.
The US Department of Energy supports the development of commercial building energy codes and standards. To support commercial building energy research activities and the development of commercial building energy codes and standards, continuous efforts have been made to convert 30 prototype building models (20 different building types), which cover 80% of US commercial building floor space, to OpenStudio prototype buildings. Additionally, the suite of prototype building models was expanded to include the addition of new building prototype models (e.g., courthouse, college building). This report documents the building and system characteristics of the prototype convenience store building model. Multiple sources, including databases, documented projects, and personal communications, were used to define the prototype convenience store building characteristics, and a one-story, 3,000 ft 2 building was considered as the prototype convenience store to represent an average-sized convenience store in the United States. The Oak Ridge National Laboratory team defined the operational hours of the convenience store as 17 hours per day. The types of exterior walls, roof, and floor were defined as brick wall, metal surfacing roof, and slab-on-grade floor, respectively. Double glazing was selected, and the window-towall ratio was set as 15% on the front side. For the system part, packaged system and centralized water heater were selected for the space heating and cooling system and water heater system, respectively. In terms of the refrigerator system, the number of refrigerators and freezers were determined as eight closed cases and two walk-in units.
The US Department of Energy supports the development of commercial building energy codes and standards. To support commercial building energy research activities and the development of commercial building energy codes and standards, continuous efforts have been made to convert 16 prototype building models, which cover 80% of US commercial building floor space, to OpenStudio prototype buildings. Additionally, the suite of prototype building models was expanded to include the addition of new building prototype models (e.g., courthouse, college building). Multiple sources, including databases, documented projects, and personal communications, were used to define the prototype college building, and a 4-story with 69,063 ft 2 building was considered as the prototype college building to represent an average-sized college building in the United States. To represent realistic occupancy schedules and increase the granularity of information, actual class reservation schedules were collected and used. This report documents the building and system characteristics of the prototype college building model combined with climate-specific and construction vintage–specific requirements for the building envelope and systems from ASHRAE Standard 90.1. The energy simulation results are presented for 4 construction vintages (2004, 2007, 2010, and 2013) and 15 ASHRAE climate zones. The site energy use intensity of the college building was compared with 2012 Commercial Building Energy Consumption Survey (CBECS) and ENERGY STAR data to verify the simulation results. The site energy use intensity of the college building ranged from 60 to 202.4 kBtu/ft 2 , and compared with the energy use intensities of Commercial Building Energy Consumption Survey (122.9 kBtu/ft 2 ) and ENERGY STAR (84.3 kBtu/ft 2 ) data, the prototype college building results are in a reasonable range.
The ISPyB information-management system for crystallography has been adapted to include data from small-angle X-ray scattering of macromolecules in solution experiments. Logging experiments with the laboratory-information management system ISPyB (Information System for Protein crystallography Beamlines) enhances the automation of small-angle X-ray scattering of biological macromolecules in solution (BioSAXS) experiments. The ISPyB interface provides immediate user-oriented online feedback and enables data cross-checking and downstream analysis. To optimize data quality and completeness, ISPyBB (ISPyB for BioSAXS) makes it simple for users to compare the results from new measurements with previous acquisitions from the same day or earlier experiments in order to maximize the ability to collect all data required in a single synchrotron visit. The graphical user interface (GUI) of ISPyBB has been designed to guide users in the preparation of an experiment. The input of sample information and the ability to outline the experimental aims in advance provides feedback on the number of measurements required, calculation of expected sample volumes and time needed to collect the data: all of this information aids the users to better prepare for their trip to the synchrotron. A prototype version of the ISPyBB database is now available at the European Synchrotron Radiation Facility (ESRF) beamline BM29 and is already greatly appreciated by academic users and industrial clients. It will soon be available at the PETRA III beamline P12 and the Diamond Light Source beamlines I22 and B21.
The operation of electric grids is becoming more challenging due to continued increases in wind and solar generation, the proliferation of decentralization generation resources, and cyber security threats. To support the needed research, new large scale realistic public grid models have been developed and placed in a repository for access by researchers. To assist researchers in easily finding grid models that are suitable for their specific research needs, an approach to searching numerous large grid models was evaluated, prototyped and developed. Here, the research identified multiple possible approaches to using graph database techniques and a natural language processing for the search algorithm. Results of the prototype, the final approach for production repository and the search algorithm formulation are described.
The U.S. Department of Energy (DOE) tasked Pacific Northwest National Laboratory (PNNL) with updating commercial building construction weights for the purpose of estimating national and state-by-state energy savings impacts of changes made to various commercial energy codes and standards. A similar activity was last completed by PNNL in 2020 using disaggregate construction volume data acquired from the Dodge Data & Analytics database (formerly McGraw Hill) for the years 2003-2018 (Lei et al, 2020). As time passes, changes in economic and social demand reshape construction volume trends. For the current update, PNNL reviewed the same data source with the latest construction data for the years 2008-2022. For commercial building analyses, PNNL typically uses a suite of 16 prototype buildings simulated in the 19 ASHRAE climate zones with 16 of them present in the United States. The 2008-2022 commercial building weighting factors were derived using the same approach employed to develop the 2003-2018 set (Lei et al, 2020). Applying the construction volume data from the database to the prototypes and climate zones resulted in the following new construction area-based weighting factors. Table ES.1 shows the weighting factors including all building categories found in the database, and Table ES.2 shows the weighting factors normalized to include only buildings represented by the 16 prototypes. Section 3.0 also includes national- and state-level weighting factors by area and building count.
The proliferation of low-cost sensors and industrial data solutions has continued to push the frontier of manufacturing technology. Machine learning and other advanced statistical techniques stand to provide tremendous advantages in production capabilities, optimization, monitoring, and efficiency. The tremendous volume of data gathered continues to grow, and the methods for storing the data are critical underpinnings for advancing manufacturing technology. This work aims to investigate the ramifications and design tradeoffs within a decoupled architecture of two prominent database management systems (DBMS): sql and NoSQL. A representative comparison is carried out with Amazon Web Services (AWS) DynamoDB and AWS Aurora MySQL. The technologies and accompanying design constraints are investigated, and a side-by-side comparison is carried out through high-fidelity industrial data simulated load tests using metrics from a major US manufacturer. The results support the use of simulated client load testing for comparing the latency of database management systems as a system scales up from the prototype stage into production. As a result of complex query support, MySQL is favored for higher-order insights, while NoSQL can reduce system latency for known access patterns at the expense of integrated query flexibility. Here, by reviewing this work, a manufacturer can observe that the use of high-fidelity load testing can reveal tradeoffs in IoTfM write/ingestion performance in terms of latency that are not observable through prototype-scale testing of commercially available cloud DB solutions.
To coordinate commercial building energy research activities, the US Department of Energy uses a suite of commercial prototype building models, which includes 16 building types and covers 80% of US commercial floorspace. Efforts are underway to expand this suite by developing prototype models for additional building types, including a courthouse. Informed by building design guides, databases, documented projects, and personal communication with courthouse design experts, a 3-story, 4-courtroom, 69,324 ft 2 building was considered as the prototype courthouse to represent an average-sized courthouse in the United States. This report documents the building and system characteristics of the prototype courthouse model combined with climate-specific and construction vintage–specific requirements for the building envelope and systems from ASHRAE Standard 90.1. The energy simulation results are presented for 4 construction vintages (2004, 2007, 2010, and 2013) and 15 ASHRAE climate zones. To verify the energy simulation results, energy use statistics of existing courthouses from different building database are also presented. Based on the simulated energy use, the site energy use intensity of the prototype courthouse ranged from 45 to 159 kBtu/ft 2 compared with the average energy use intensity of 94.7 kBtu/ft 2 for the courthouse building type in the 2012 Commercial Building Energy Consumption Survey (CBECS) Data.
The DUNE experiment will produce vast amounts of metadata, which describe the data coming from the read-out of the primary DUNE detectors. Various databases will make up the overall DB architecture for this metadata. ProtoDUNE at CERN is the largest existing prototype for DUNE and serves as a testing ground for - among other things - possible database solutions for DUNE. The subset of all metadata that is accessed during offline data reconstruction and analysis is referred to as ‘conditions data’ and it is stored in a dedicated database. As offline data reconstruction and analysis will be deployed on HTC and HPC resources, conditions data is expected to be accessed at very high rates. It is therefore crucial to store it in a granularity that matches the expected access patterns allowing for extensive caching. This requires a good understanding of the sources and use cases of conditions data. This contribution will briefly summarize the database architecture deployed at ProtoDUNE and explain the various sources of conditions data. We will present how the conditions data is retrieved and streamed from the databases and how it is handled to match expected access patterns.
The DUNE experiment will produce vast amounts of metadata, which describe the data coming from the read-out of the primary DUNE detectors. Various databases will make up the overall DB architecture for this metadata. ProtoDUNE at CERN is the largest existing prototype for DUNE and serves as a testing ground for - among other things - possible database solutions for DUNE. The subset of all metadata that is accessed during offline data reconstruction and analysis is referred to as ‘conditions data’ and it is stored in a dedicated database. As offline data reconstruction and analysis will be deployed on HTC and HPC resources, conditions data is expected to be accessed at very high rates. It is therefore crucial to store it in a granularity that matches the expected access patterns allowing for extensive caching. This requires a good understanding of the sources and use cases of conditions data. This contribution will briefly summarize the database architecture deployed at ProtoDUNE and explain the various sources of conditions data. We will present how the conditions data is retrieved and streamed from the databases and how it is handled to match expected access patterns.
The Land Information System (LIS) was developed to use advanced flexible land surface modeling and data assimilation frameworks to integrate extremely large satellite- and ground-based observations with advanced land surface models to produce continuous high-resolution fields of land surface states and fluxes. The resulting fields are extremely useful for drought and flood assessment, agricultural planning, disaster management, weather and climate forecasting, water resources assessment, and the like. We envisioned transforming the LIS modeling system into a scientific cloud computing-aware web and data service that would allow clients to easily setup and configure for use in addressing large water management issues. The focus of this Phase 1 project was to determine the scientific, technical, commercial merit and feasibility of the proposed LIS-cloud innovations that are currently barriers to broad LIS applicability. We (a) quantified the barriers to broad LIS utility and commercialization (high performance computing, big data, user interface, and licensing issues); (b) designed the proposed LIS-cloud web service, model-data interface, database services, and user interfaces; (c) constructed a prototype LIS user interface including abstractions for simulation control, visualization, and data interaction, (d) used the prototype to conduct a market analysis and survey to determine potential market size and competition, (e) identified LIS software licensing and copyright limitations and developed solutions, and (f) developed a business plan for development and marketing of the LIS-cloud innovation. While some significant feasibility issues were found in the LIS licensing, overall a high degree of LIS-cloud technical feasibility was found.
Semiconductors with very low lattice thermal conductivities are highly desired for applications relevant to thermal energy conversion and management, such as thermoelectrics and thermal barrier coatings. Although the crystal structure and chemical bonding are known to play vital roles in shaping heat transfer behavior, material design approaches of lowering lattice thermal conductivity using chemical bonding principles are uncommon. In this work, an effective strategy of weakening interatomic interactions and therefore suppressing lattice thermal conductivity based on chemical bonding principles is presented and a high-efficiency approach of discovering low κ L materials by screening the local coordination environments of crystalline compounds is developed. The resulting first-principles calculations uncover 30 hitherto unexplored compounds with (ultra)low lattice thermal conductivities from 13 prototype crystal structures contained in the Inorganic Crystal Structure Database. Furthermore, an approach of rationally designing high-performance thermoelectrics is demonstrated by additionally incorporating cations with stereochemically active lone-pair electrons. Here these results not only provide atomic-level insights into the physical origin of the low lattice thermal conductivity in a large family of copper/silver-based compounds but also offer an efficient approach to discover and design materials with targeted thermal transport properties.
We present a visual analytics paradigm and a system prototype for exploring web-scale graphs. A web-scale graph is described as a graph with ~one trillion edges and ~50 billion vertices. While there is an aggressive R&D effort in processing and exploring web-scale graphs among internet vendors such as Facebook and Google, visualizing a graph of that scale still remains an underexplored R&D area. The paper describes a nontraditional peek-and-filter strategy that facilitates the exploration of a graph database of unprecedented size for visualization and analytics. We demonstrate that our system prototype can 1) preprocess a graph with ~25 billion edges in less than two hours and 2) support database query and visualization on the processed graph database afterward. Based on our computational performance results, we argue that we most likely will achieve the one trillion edge mark (a computational performance improvement of 40 times) for graph visual analytics in the near future.
The Transient Reactor Test Facility (TREAT) loss-of-coolant (LOC) and high-burnup (HBu) experiment series, along with the Severe Accident Test Station (SATS) HBu experiment series, are integral LOC accident (LOCA) experiments planned under the DOE AFC program, which aim to support burnup extension needs by addressing identified R&D priorities in order to achieve an improved understanding of fuel fragmentation, relocation, and dispersal (FFRD) of HBu fuel during LOCA events. The data produced under this plan will be used to further validate and confirm existing models and inform future R&D and model development. The experimental program has been specifically designed to address knowledge gaps and opportunities identified through a detailed review of existing public knowledge on LOCA FFRD. The test program employs a unique combination of in- and out-of-pile experimental approaches and state-of-the-art facilities to provide a clear connection to the existing integral and semi-integral LOCA experiment database. The primary goal of the program is to investigate the impact of prototypic HBu fuel/cladding thermomechanical behaviors under postulated LWR LOCA conditions that have not yet been fully studied. These conditions correspond with prototypic decay-energy heatup (DEH) and stored-energy heatup (SEH) conditions. Importantly, TREAT’s unique capability will enable the first evaluation of the impact of SEH conditions on HBu fuels. The test program will emphasize the development of an improved mechanistic understanding of key experimental phenomena through independent experimental systems, development of a database to support fuel performance modeling tools and employing world-leading advanced materials characterization and in-situ diagnostics to evaluate FFRD. The results of the program will provide novel data to support modeling development and validation and will represent a significant advancement in evaluating prototypic conditions, as well as to inform the technical basis for LOCA-induced FFRD.