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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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Inl Open Ondemand Applications

Open OnDemand is a software tool that is used to access HPC resources. It provides a framework for organizations to create apps and other additional functionality that may be useful to the organization. This code expands upon the pre-existing INL applications, including the NEAMS Workbench application, MOOSE Herd applications, and others. These changes significantly expand upon the functionality originally provided. Due to the extensive functionality that we added, these changes would not be added to the original application but would function as a standalone application that other organizations would be able to utilize on their own systems.

Biggs, BrandonS.↗

EVI-OnDemand [SWR-21-115]

EVI-OnDemand is a simulation platform which estimates fast-charging infrastructure requirements necessary to support ride-hailing electrification. The tool belongs to the broader EVI-X family, a consortium of infrastructure modeling tools created by researchers at the National Renewable Energy Laboratory (NREL).

Moniot, Matthew↗

Inl Open Ondemand Dashboard Applications

Open OnDemand is a software tool that is used to access HPC resources. It provides a framework for organizations to create apps and other additional functionality that may be useful to the organization. This code creates new INL applications. These changes significantly expand upon the functionality originally provided. Due to the extensive functionality that we added, these changes would not be added to the original application but would function as additional applications that other organizations would be able to utilize on their own systems.

Biggs, Brandon [Idaho National Laboratory (INL), I↗

Quantifying the Impact of Advanced Web Platforms on High Performance Computing Usage

The deployment of Science Gateways for High Performance Computing (HPC) systems can alter long-accepted usage patterns on supercomputing systems in positive ways as an ever-increasing number of users migrate their workflows to HPC systems. Idaho National Laboratory (INL) has deployed two separate advanced web platforms, Open OnDemand and NICE DCV, for integration with HPC resources to improve web accessibility for HPC users. Researchers conducted a multi-year study on how HPC usage pat- terns changed in the presence of these platforms. This work reports the results of that study and quantifies the observed impacts, including adoption by visualization and Jupyter Notebook/Lab users, decreased job submission friction, rapid uptake of HPC by Windows users, and increased overall system utilization. The most significant impacts were observed from the deployment of Open OnDemand, and this work also identifies some best practices for Open OnDemand deployment for HPC datacenters.

97 MATHEMATICS AND COMPUTING↗

Enabling the Write-Once Read-Many (WORM) Dashboard and Web Interface for HPC Data Storage

Idaho National Laboratory (INL), supported by the Department of Energy Office of Nuclear Energy (DOE-NE) through the Nuclear Science User Facilities, provides access to supercomputer systems and data storage along with support staff for system management, software installation, cybersecurity, and user support to the broader DOE-NE user community. A key component of this is providing long-term or perpetual data storage as part of efforts to improve reproducibility in modeling and simulation in addition to supporting simulations with regulatory compliance requirements. This milestone details the deployment of a new type of storage option for users requiring tamper resistant perpetual storage of data and the associated support for data control and release via the data storage web interface. The perpetual data storage system is integrated within the Open OnDemand framework deployed at INL and is called the ?WORM? in recognition of its write-once read-many characteristics.

99 GENERAL AND MISCELLANEOUS↗

Enhanced carbon-transfer and -utilization efficiencies achieved using membrane carbonation with gas sources having a range of CO 2 concentrations

The economic viability of microalgal biofuels relies on increasing productivity in a cost-effective manner. As microalgal biomass contains > 50% carbon, a high rate of CO 2 delivery is required for high productivity, and inefficient CO 2 delivery amplifies operating costs. Membrane carbonation using non-porous hollow fiber membranes can ideally deliver CO 2 without bubble formation and high carbon transfer efficiency. Because CO 2 streams from industrial resources are not 100% CO 2 , the buildup of inert gasses can significantly lower the CO 2 delivery rate when the distal end of the membrane is closed. To overcome the buildup of inert gases, we managed the distal end of the membranes with three different approaches: fully open end, restricted bleed valve, and restricted bleed valve with pH-actuated venting. For all approaches, CO 2 was delivered to membranes ondemand based on a pH set point. Evaluating a wide range of CO 2 concentrations (10% to 100%), we found that all approaches eliminated the buildup of inert gases, could maintain target pH values and gave the same biomass productivities and carbon distributions. However, carbon transfer efficiency depended on the operation of the distal end. Fully open-end operation gave a poor carbon transfer efficiency because of excessive loss of CO 2 from the distal end. However, restricting the exit flow rate to ≤4 cm 3 /min mitigated the problems of excessive CO 2 loss, but without incurring a large loss of CO 2 -delivery flux. For the continuous cultivation, combining a restricted bleed valve with pH-actuated venting improved the carbon-transfer efficiency and -utilization efficiencies up to 85% and 67%, respectively, with a sufficient CO 2 delivery flux.

42 ENGINEERING↗

Quo Vadis, Borophene?

The materials-by-design paradigm is based on synergistic efforts involving advanced computation, synthesis and characterization to ensure properties meet various technological needs within a cost-effective framework. However, starting from the elements of the periodic table to achieving useful devices is a daunting road. Borophene, a two-dimensional (2D) allotrope of boron, is envisaged to play a role in this exciting area due to its extraordinarily rich polymorphism. The multitude of potentially stable structures, several of them already realized experimentally, differentiates borophene from all other mono-elemental 'X-enes'. The possibility of harnessing this unique characteristic fuels hopes for achieving 'ondemand' crystallographic arrangements making borophene a candidate platform for various electronics, energy sciences and biology applications. Furthermore, despite the scarcity of data on intrinsic electronic properties, the experimentally confirmed polymorphisms, the recent synthesis of bilayers and the first steps towards transferring borophene on device-compatible substrates are important milestones in borophene research.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Estimating Fast Charging Infrastructure Requirements to Fully Electrify Ride-Hailing Fleets Across the United States

Ride-hailing electrification is made challenging by a variety of factors, including limited driver access to overnight charging and a nascent network of public direct-current fast charging (DCFC). This article projects the DCFC infrastructure needed to electrify ride-hailing across 384 cities in the United States. Research leveraging a novel infrastructure projection tool, Electric Vehicle Infrastructure Tool for On-Demand Mobility Services model (EVI-OnDemand), estimates that 25,400 DCFC ports capable of charging vehicles at a mean power of 150 kW are required to electrify 1.45 million ride-hailing vehicles in the baseline scenario. Results show that ride-hailing vehicles require 17.5 DCFC ports per 1000 vehicles, three times that of personal electric vehicles (EVs). Infrastructure demand is also shown to vary across cities; 63% more DCFC ports are needed to support 1000 battery EVs in Chicago versus Miami. The analysis also includes sensitivity studies that explore variation in charging demand across input assumptions, finding that charging power, vehicle class, overnight charging access rates, and port utilization influence the network size needed. Projections vary from 18,600 to 41,300 DCFC ports across sensitivity scenarios, indicating that ride-hailing electrification will require significant expansion of access to fast charging even in the most optimistic scenarios, and investments into supporting assets can reduce the scale of the public charging expansion needed.

33 ADVANCED PROPULSION SYSTEMS↗

User-oriented Improvements in the MOOSE Framework in Support of Multiphysics Simulation

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed or will be deployed in the coming months. The capabilities were implemented in the same order as they are covered in this report: chainable execution objects or executors, support for transfers between same-level applications in a coupling scheme, support for boundary/subdomain restricted transfers, support for transfers between applications with different coordinate or unit systems, support for MOOSE applications in the NEAMS Workbench, deployment of the MOOSE application of the Idaho National Laboratory (INL) high-performance computing (HPC) OnDemand platform, the addition of a triangular meshing library in libMesh, and increased support of face variables.

97 MATHEMATICS AND COMPUTING↗

Nuclear Science User Facilities High Performance Computing: Provide a Science Gateway for HPC Users

Idaho National Laboratory (INL), supported by the Department of Energy Office of Nuclear Energy (DOE-NE) through the Nuclear Science User Facilities (NSUF), provides direct access to the Barracuda Virtual Reactor and 18 Multiphysics Object-Oriented Simulation Environment (MOOSE) applications via a web-based science gateway developed using Open Ondemand on the INL high performance computing (HPC) systems. This gateway features the computational tools of the Nuclear Computational Resource Center (NCRC) and the computing resources of the INL high performance computing systems. These computational tools are a key foundation of collaboration and innovation in nuclear energy systems research. High performance computing resources and INL staff directly support the mission and objectives of DOE-NE. The Barracuda Virtual Reactor was the first science gateway deployed in Jan 2021 to support NSUF users. In July 2021, the science gateway was expanded to support access to NCRC codes for use across all supported INL HPC systems. The HPC science gateway currently supports 20 total applications. The gateway also includes access to training resources specific to NCRC tools.

99 GENERAL AND MISCELLANEOUS↗

User-Oriented Improvements in the MOOSE framework in support of Multiphysics Simulation

The MOOSE Framework is a foundational capability used by NEAMS to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms including optimization, improved user experience, streamlined APIs, parallelism, and new capability. The work transcribed in the report was in direct support of the simulation tools and is already deployed or will be deployed in the coming months. The capabilities implemented were, in the same order as this report, chainable execution objects or executors, support for transfers between applications at the same level in a coupling scheme, support for boundary/subdomain restricted transfers, support for transfers between applications with different coordinate or unit systems, support for MOOSE applications in the NEAMS workbench, deployment of MOOSE application of the INL HPC OnDemand platform, addition of a triangular meshing library in libMesh and increased support of face variables.

97 MATHEMATICS AND COMPUTING↗

Integrating Artificial Intelligence into Science Gateways

Science gateways are altering the manner in which people interact with high performance computing (HPC) by providing a web browser based interface to advanced computing platforms. In particular, science gateways lower the barrier to using HPC by simplifying the process of submitting workloads to such systems and by offloading the efforts required to use HPC to the maintainers of the system. While science gateways decrease the time-to-science that comes with using such advanced systems, progress can still be made in improving the user's experience. In this paper we explore two strategies for integrating artificial intelligence tools commonly found in non-HPC service workflows: voice activated assistants and chatbots. Since August 2021, the HPC group at Idaho National Laboratory answers an average of 581 support tickets per month of which a large percentage could be addressed via these two strategies. This work defines the key capabilities that an HPC voice activated assistant and chatbot would need to address for a userbase consisting of largely non-expert users as well as a design for integration into the Open OnDemand science gateway.

97 MATHEMATICS AND COMPUTING↗