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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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At least 73 records · Page 4

Methods for In Situ Electroluminescence Imaging of Photovoltaic Modules Under Varying Environmental Conditions

Electroluminescence (EL) imaging is a powerful tool used to identify defects in photovoltaic solar cells. Typically, this type of characterization is performed in the dark using a current injection that equals short-circuit current measured at standard test conditions (STC). Restricting imaging to such a temperature range limits the information obtained about the module and cells. However, it is not trivial to develop a tool that would allow for EL imaging to be performed under a wider range of temperatures. Here we demonstrate an in situ EL imaging capability developed within an environmental chamber that allows for control of sample temperatures between –40 and 90 °C. Additionally, we demonstrate EL imaging of 4-cell mini-modules (MiMo) under front-side mechanical loading. A Raspberry Pi-connected camera with short-pass filter removed is used for EL imaging. The camera is low-cost with a small form-factor, appropriate for use in a harsh, enclosed environment. The camera is installed within a thermally isolating housing mounted within the environmental chamber. Three example cases are given for MiMos that exhibit various forms of degradation including solder fatigue and cell cracking. It is shown that by measuring at conditions above and below STC, different behaviors may be identified. In some cases, restricting characterization to STC may lead to a failure to detect damage existing in the sample.

14 SOLAR ENERGY↗

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

DFTB+ is a versatile community developed open source software package offering fast and efficient methods for carrying out atomistic quantum mechanical simulations. By implementing various methods approximating density functional theory (DFT), such as the density functional based tight binding (DFTB) and the extended tight binding method, it enables simulations of large systems and long timescales with reasonable accuracy while being considerably faster for typical simulations than the respective ab initio methods. Based on the DFTB framework, it additionally offers approximated versions of various DFT extensions including hybrid functionals, time dependent formalism for treating excited systems, electron transport using non-equilibrium Green’s functions, and many more. DFTB+ can be used as a user-friendly standalone application in addition to being embedded into other software packages as a library or acting as a calculation-server accessed by socket communication. We give an overview of the recently developed capabilities of the DFTB+ code, demonstrating with a few use case examples, discuss the strengths and weaknesses of the various features, and also discuss on-going developments and possible future perspectives.

74 ATOMIC AND MOLECULAR PHYSICS↗

Electrothermal Micromirror Adaptive Illumination

As part of the Cyclotron Road program, Helux Lighting aimed to develop a highly adaptive illumination source based on microelectromechanical system (MEMS) technology and next-generation solid state lighting. Solid state lighting has caused a paradigm shift in the industry. Developing systems that put light only where it is needed can reduce energy consumption and have an impact on the well-being of the population by eliminating glare and wasted light. Full control could also reduce the disruption of sensitive ecosystems caused by light pollution. The most advanced fixtures available today are based on mechanical components that are bulky and expensive. The track light is the only inexpensive lighting system that permits redirection and, in some cases, spot size by motorized optical components. The most advanced light fixtures today are composed of a strategically arranged array of LEDs. More recent developments in the research community include dynamic liquid crystal lenses but fail to realize simultaneous dynamic steering and spot size. In this project, Helux worked on the capability development of their controllable micromirror combined with state-of-the-art solid state lighting to electronically adjusting light position, brightness, and illumination area.

42 ENGINEERING↗

Improving and Automating Building Model Data Exchange

There are many instances throughout a project’s lifecycle where there arises a need for quick and accurate risk assessment of building designs. For example, an unexpected design change during construction may necessitate structural engineers to perform a seismic risk assessment on analytical models of the updated building design using high fidelity structural analysis software, such as ANSYS or Abaqus. However, the efficiency of such workflows often depends upon the interoperability of architectural design software and structural analysis software. When the quality of this interoperability is lacking or even non-existent, the efficiency of virtual engineering workflows is hampered, which increases project costs. A McGraw Hill industry survey of professional users of Building Information Modeling (BIM) technologies found that there is high demand for BIM interoperability for structural analysis, but that the value/difficulty ratio is currently too low for practical use. There have been efforts by the academic community to facilitate model data exchange between the architectural design and structural analysis domains, but such solutions have not been widely adopted by industry, face technical challenges, and oftentimes are limited in applicability for users of various BIM software. Therefore, INL is developing capabilities to improve, automate, and generalize model data exchange between architectural BIM software (e.g., Revit) and structural analysis software (e.g., SAP2000, ANSYS). The goal is to help expedite and automate as much of the pre-processing step for creating analytical models in finite element analysis software as reasonably as possible. Such a "BIM-to-FEA" conversion tool should provide direct benefit to end-users through accuracy, automation, quick turn-around, and wide applicability. To generalize the application of this BIM-to-FEA conversion tool and increase its useability among the many different commercial BIM software currently used by industry, the program is being developed with the concept of openBIM. OpenBIM is the application of non-proprietary, open data standards that allow for BIM model data exchange in a format that is accessible, retainable, and useable for all users. The most widely used open, non-proprietary data exchange format for BIM is the Industry Foundation Classes (IFC) schema. IFC is developed by buildingSMART international and is ISO certified (ISO 16739-1:2018). The BIM-to-FEA conversion tool is being developed for compatibility with typical commercial building designs of steel framed structures. The tool is currently capable of importing architectural BIM data of framed building structures, recognizing and extracting the aspects of the model that are required for structural analysis, adjusting the connectivity of frame members, and finally exporting to an analytical model stored in the IFC format. The exported IFC analytical model can then be imported into various openBIM compliant software, such as SAP2000. Such capabilities have already been tested on commercial software, as shown above, and continue to be improved. Work is underway to test the conversion on various commercial BIM software, develop a user-friendly interface, incorporate the program into the broader DeepLynx data warehouse project being developed by INL, and to eventually open-source the tool for the benefit of the community. Future development of the tool envisions the ability for efficient iterative risk assessment of generative building designs, all within a workflow utilizing open-source tools. One such open-source tool will be MOOSE, an advanced finite element analysis tool developed at INL. The conversion tool will also branch out from typical commercial building designs and will aim to incorporate nuclear construction. The aim will be to convert both structural and non-structural components of nuclear facilities, such as curved concrete containment structures and piping systems, respectively.

97 MATHEMATICS AND COMPUTING↗

Intel® DOE Grid Security Enhancement Security in Power System Edge. Final Technical Report

Intel® and its partners, Schneider Electric and LiveData Utilities, were tasked by Department of Energy to explore solutions in two areas of grid security. One, secure the existing communication network and the legacy devices with minimal disruption to the infrastructure, and second, to develop capabilities in semiconductor chips such that they come with built-in security to order to provide secure communication and protection from cyberattacks with minimal effort from operation technology (OT) application developers.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Roadmap for IES Modeling and Simulation Activities

Since inception of the DOE-NE Integrated Energy Systems (IES) program, several program and modeling visions and roadmaps have been published. In 2017, the last modeling and simulation capability development plan was published. In 2020, a comprehensive roadmap for the DOE-NE Integrated Energy Systems program has been published. The current report is meant to update the 2017 modeling and simulation capability roadmap and complement the IES overall program roadmap published in 2020. The role of modeling and simulation within IES is to support the demonstration of new coupled integrated technologies along every step of the technology maturation from the strategic analysis of preferred system architecture to preliminary design, to laboratory testing, up to full commercial testing and integration. To achieve this role, modeling and simulation must be able to assess the technical performance and the economic viability of potential IES. Also, modeling and simulation must provide support for experimental evaluations, i.e., support component design and real time operations of experimental demonstration systems. Finally, modeling and simulation can help scale-up experimental systems to the final commercial systems. This report details the current state of the modeling and simulation efforts within IES for the above-mentioned areas, provides a gap analysis and proposes next steps for a time horizon over the next 4 to 5 years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development of Novel Materials for Direct Air Capture of CO 2 : MIL-101(Cr)-Amine Sorbents Evaluation Under Realistic Direct Air Capture Conditions (Final Report)

The overarching goal of this project is to evaluate the CO 2 adsorption properties of a small family of metal-organic framework (MOFs) materials functionalized with amines at sub-ambient conditions. Our goal is to develop capabilities to measure CO 2 adsorption at conditions more relevant to the weather of the planet. For this purpose, Georgia Tech is constructing a “sub-ambient adsorption facility” in partnership with ZCP Sorbent Development, LLC, aimed specifically at rapidly and deeply characterizing the performance of DAC candidate materials in this important operational range (adsorption at -20 to 20 °C and RH of 0-100%). Here, we use the sub-ambient lab instrumentation designed or adapted to study the behavior of the pristine metal organic framework (MOF) MIL-101(Cr) and the MOF in the presence of amines ranging from small molecules (e.g. TREN, tris(2-aminoethylamine)) to oligomers (e.g. PEI, poly(ethyleneimine)). Any DAC sorbent must be amenable to deployment in practical contactors for gas-solid contacting (traditional pellet-based fixed beds are impossible at scale). To this end, we developed and tested these DAC materials in the forms of composite polymer/MOF fibers and custom 3D-printed monolith structures containing MOF DAC sorbents. The proposed studies advance these materials from technology readiness level (TRL) 2 to TRL 3.

01 COAL, LIGNITE, AND PEAT↗

Developing a Cyclotron Radiation Emission Spectroscopy Detection System

Cyclotron Radiation Emission Spectroscopy is a new technique for ultra-precise spectroscopy of low-energy electrons. This project aimed at developing capabilities that would be useful to a future CRES experiment. The recent results from the Project 8 and He6-CRES collaborations indicate that CRES has a promising future, but will need advancements to continue developing. In this report we cover the four tasks that comprised the project: data acquisition, data management, updating the raw-data format, a cloud computing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Conceptual Design of Integrated Energy Systems via Multiscale Market Simulations and Surrogate Models for Market Interactions

This final report describes novel capabilities developed as part of DISPATCHES, Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems, for designing hybrid energy systems (HES) a.k.a. integrated energy systems (IES) in the context of a larger electricity market. Capabilities are demonstrated on case studies for nuclear and renewable power.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Simultaneous Design and Operation of a Coal-Fired Hybrid Energy System with Integrated Thermal Energy Storage

This final report describes novel capabilities developed as part of DISPATCHES, Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems, for designing hybrid energy systems (HES) a.k.a. integrated energy systems (IES) in the context of a larger electricity market. Capabilities are demonstrated on a case study with fossil-based power coupled to a molten salt thermal energy storage system.

20 FOSSIL-FUELED POWER PLANTS↗

Implementation of low-burnup swelling focused assessment case and enhancement of FIPD-BISON integration framework

This report summarizes the activities and achievements made by Argonne National Laboratory for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) BISON code metallic fuel validation and verification (V&V) project in FY2023, with a focus on the capability development and assessment case development for steady state irradiation experiments. The X423 IFR experiment assessment case, which is focused on the evaluation of low burnup swelling behavior of both binary and ternary metallic fuel, has been developed. It covers 58 fuel pins with various fuel compositions and 158 sets of post-irradiation examination (PIE) data with burnup ranging from ~0.5 at.% to ~5.0 at.%, providing a powerful tool within BISON for the calibration, evaluation, verification and validation of both existing and future metallic fuel swelling models at low burnup. Meanwhile, the X447 IFR experiment assessment case established in FY2022 was enhanced to utilize the latest advanced features in BISON, such as automatic differentiation and Mortar contact models. With such enhancements, especially the Mortar mechanical contact model with friction, BISON is now capable of predicting axial fuel growth that is consistent with experimental measurements. Additionally, during the development, gaps and potential scopes were identified and explorative efforts were made, providing insight for future works.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

New Developments of MOOSE/FENIX Capabilities for Fusion Neutronics Calculations

This poster summarizes internship work to support new developments of MOOSE/FENIX Capabilities for fusion neutronics calculations. A new feature was added to allow coupling OpenMC models with thermomechanics models and was verified. Two coupled multiphysics models are demonstrated for a tokamak model and monoblock divertor model. Results show heating results, temperature distributions, tritium production and transport.

99 - GENERAL AND MISCELLANEOUS↗

New Developments of FENIX Capabilities for Fusion Neutronics Calculations

This presentation summarizes internship work to support new developments of FENIX Capabilities for fusion neutronics calculations. Two coupled multiphysics models are demonstrated for a tokamak model and monoblock divertor model. Results show heating results, temperature distributions, tritium production and transport. A new feature was added to allow coupling OpenMC models with thermomechanics models and was verified.

99 - GENERAL AND MISCELLANEOUS↗

Life-cycle greenhouse gas emissions analysis of battery-grade lithium production in Finland

Various countries are undertaking initiatives to domestically produce battery-related critical materials. Within Finland, Keliber Technology Oy is developing capabilities for battery-grade lithium hydroxide monohydrate (LHM) production from spodumene ores. A detailed life-cycle assessment (LCA) of this pathway is conducted to determine its life-cycle GHG impacts using Argonne's R&D GREET (Research and Development Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model. The analysis shows life-cycle GHG emissions of similar to 9.2 kg CO 2-eq /kg LHM, dominated by contributions from three energy sources - diesel, natural gas, and electricity - and two material inputs - lime (CaO) and soda ash (Na 2 CO 3 ). Sensitivity analyses highlight the potential to reduce these impacts using low-carbon electricity, sequestration of process CO 2 emissions generated during CaO and Na 2 CO 3 production, and bio-based energy for LHM production (by similar to 15 % each). A comparative analysis shows lower impacts for Keliber's LHM than for existing LHM production from Australian spodumene ores processed in China (by similar to 40 %).

CCS↗

Towards Automated Design of Polymer Precursors for Rational Design of Porous Carbon-Materials [Slides]

Overview: Developed capability enables easy building of realistic polymer structures and a straightforward evaluation of polymer properties using different computational approaches. Topics of relevance to LANL mission: fundamental understanding of gas, vapor, ion, and liquid transport in polymer materials with applications in carbon capture, clean energy, hydrogen production (e.g., fuel cells and electrolyzes); Toxic element removal; Design of polymer binders in explosives. Workforce Development: Project provided a valuable opportunity to for a PI to manage a LANL research effort, expand collaborations (e.g., MPA division), and establish research topic that aligns with the LANL mission; The capability built was highlighted in the proposal "Versatile Polyolefins-Based Ionomer Platform for Next Generation Polymer Electrolyte Membrane and Hydrogen Production" lead by InnoSense LLC in collaboration with MPA-1 and T-1 as a response to DOE's call DE-FOA-0003003: Science Foundations for Energy Earthshots.

36 MATERIALS SCIENCE↗

Science & Technology Review - July 2021 Issue

In the early weeks of the COVID-19 pandemic, Lawrence Livermore researchers mobilized to address emerging challenges and develop capabilities for detecting the SARS-CoV-2 virus and fighting COVID-19, the diseased caused by the virus. As described in the article beginning on p. 4, the Laboratory’s Innovation and Partnerships Office provided technology transfer expertise to deploy existing, in-development, and new technologies to help detect SARS-CoV-2 and treat COVID-19.

36 MATERIALS SCIENCE↗

Lithium Metal Anodes with Nonaqueous Electrolytes

High-energy rechargeable lithium (Li) metal batteries (LMBs) with Li metal anode (LMA) were first developed in the 1970s, but their practical applications have been hindered by the safety and low-efficiency concerns related to LMA. Recently, a worldwide effort on LMA-based rechargeable LMBs has been revived to replace graphite-based, Li-ion batteries because of the much higher energy density that can be achieved with LMBs. Herein, this review focuses on the recent progress on the stabilization of LMA with nonaqueous electrolytes and reveals the fundamental mechanisms behind this improved stability. Various strategies that can enhance the stability of LMA in practical conditions and perspectives on the future development of LMA are also discussed. These strategies include the use of novel electrolytes such as superconcentrated electrolytes, localized high-concentration electrolytes, and highly fluorinated electrolytes, surface coatings that can form a solid electrolyte interphase with a high interfacial energy and self-healing capabilities, development of “anode-free” Li batteries to minimize the interaction between LMA and electrolyte, approaches to enable operation of LMA in practical conditions, etc. Combination of these strategies ultimately will lead us closer to the large-scale application of LMBs which often is called the “Holy Grail” of energy storage systems.

25 ENERGY STORAGE↗