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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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Real-space Kohn–Sham density functional theory for complex energy applications
Real-space Kohn-Sham density functional theory (real-space KS-DFT) enables large-scale electronic structure simulations that is particularly well-suited for the modern high-performance computing (HPC) architectures. This feature article reviews its theoretical foundations, highlights the algorithmic advances and recent developments, and showcases applications in complex nano systems. We aim to provide a perspective on the trajectory of real-space KS-DFT as an emerging tool for computational chemistry and materials science in the exascale era.
A Critical Review of Heat Pipe Experiments in Nuclear Energy Applications
This critical review provides heat pipe (HP) experimental data sets that contain pertinent information regarding nuclear technology that may be beneficial to researchers. Heat pipes have been shown to have a tremendously positive impact on nuclear technologies and will continue to become a more prevalent technology as more nuclear reactor concepts embrace this robust technology. Most previous reviews may focus on only a specific HP design or application, and some are backdated. Herein, this critical review extends previous efforts; integrates and summarizes previously reported HP experimental efforts; and provides updates with recently reported results in the literature for HPs in all nuclear-related applications, including space power (thermal radiators, core cooling, and electricity production), microreactors (emergency core cooling, hybrid control rods, and reactor core cooling), and HP involvement in other nuclear-related technologies (spent fuel pool cooling). The two main objectives of this critical review are (1) to facilitate the development of HP codes by outlining some of the existing experimental data sets to validate their codes and directing developers to these efforts and (2) to provide comprehensive information regarding the vast applicability of HPs used in the nuclear industry, including the theory of operation and limitations to supplement researchers in the development of new ideas for potential applications in nuclear-related technologies. The review clearly shows extensive and diverse experimental data sets for HPs developed under diverse testing conditions depending on the available nuclear application for validation purposes. Thus, this critical review is oriented to providing attention to the existing efforts rather than determining gaps in HP research.
An Onshore Deployment of Advanced Dual-Doppler Radar for Wind Energy Applications
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A Performance Comparison Between Hydraulic and Electric Energy Storage Systems for Wave Energy Applications
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Analysis of SiC/SiC composites for energy applications at ambient conditions
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Cryogenic electron microscopy for emerging materials research: From quantum materials to energy applications
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Integrated Harsh Environment Gas / Temperature Wireless Microwave Acoustic Sensor System for Fossil Energy Applications
There is a significant need for sensors capable of detecting gases, such as H 2 , O 2 , NO x , SO x within harsh environments encountered in power plants, industrial manufacturing, oil and gas exploration, and aerospace applications. This project successfully demonstrated the use of wireless microwave acoustic sensor technology for the detection of gases (H 2 or O 2 ) from ambient temperatures up to 650°C. The work focused on langasite (LGS) based surface acoustic wave resonator (SAWR) sensors as the harsh-environment sensor platform and explored multiple combinations of high-temperature thin films and device structures which were used to increase the sensor platform stability and detection capability at temperatures in the operational range of 150°C to 700°C. Specific material configurations that were investigated include: yttria-stabilized-zirconia (YSZ) decorated with Pt nanoparticles, atomic layer deposited (ALD) Al 2 O 3 , palladium, and Pt/Al 2 O 3 co-deposited electrode alloys. Through the deposition of YSZ at temperatures as high as 850°C and the use of graded alloy concentrations of Pt in the fabrication of the Pt/Al 2 O 3 electrode structures, film stress problems were mitigated, and sensor operation and stability achieved. To test and evaluate SAWR sensor performance for the detection of H 2 and O 2 under the influence of temperature variations, a comprehensive gas sensor control system and test apparatus was created to operate within a laboratory box furnace-controlled environment. In addition to the advancement in thin film materials through the deposition and fabrication techniques mentioned above, the work characterized the performance of sensors containing these films in the presence of oxidizing and reducing gases between 25°C and 700°C. In particular, the work revealed that the exposure of the SAWR sensor surfaces to oxidizing environments significantly improve the sensor response to H 2 , whereas the exposure of the sensor to reducing environments at high temperatures (≈ 500°C) renders the sensor irresponsive to H 2 , requiring sensor surface treatment at high temperatures (above 500°C) to recover the responsiveness to H 2 . The SAWR sensors have been also tested for wireless operation and array operation using multiple orientations to resolve the detection of gases under temperature variations. The work developed at the University of Maine was aided by a collaboration with the NETL Research and Innovation Center, Pittsburgh, PA, where thin film materials and device structures fabricated at UMaine were tested and characterized using NETL gas reactors and surface analysis techniques. SAWR sensors fabricated at UMaine were exposed multiple times to temperatures up to 700°C and H 2 concentrations up to 100% in the NETL facilities to measure the sensor performance. Environetix Technologies Corporation, a UMaine harsh-environment sensor spin-off company, also provided support and assistance in sensor system testing and implementation. The sensor small size and configuration allows flexible sensor placement and embedding of multiple sensor arrays into a variety of components within power systems and other aerospace or industrial settings that need to be interrogated wirelessly. The SAW platform is an attractive option for high-temperature harsh-environment gas sensing applications due to its inherent features, namely small size, capability of battery-free and wireless operation, and cost effective scale production using well-established production techniques from the semiconductor industry. The research findings achieved in this work, particularly advances regarding the fabrication and performance of the SAWR gas sensor platform, can be adapted and transferred to industrial power plants and other harsh environments.
Microbial Curing of Cement for Energy Applications
Rutgers University, Lawrence Livermore National Laboratory, and the University of Arizona executed this program over 36 months with a 4-Task Program: (M1)-Microbial Engineering (M2)-Microstructure Modelling, (M3) Cement and Concrete Formulation, (M4)-Techno-economic analysis (TEA) and lifecycle assessment (LCA). This program developed a new carbonate cement concrete manufacturing process called microbial curing (MBC). MBC utilizes in-situ microbial production of CO 2 that dissolves into pore-bound water to carbonate a cementitious material creating a bonding matrix of CaCO 3 and SiO 2 that hardens and densifies the material. This is the first work of this type where calcium silicate was used in microbial studies. All other work reported in the literature always used a soluble form of calcium. This final report describes the work done in the final quarter, the best procedures and results, and the final techno-economic and lifecycle analyses. This quarter, we cast and cured twenty-five (4”x8”) cylinder samples. The compressive strength, split tensile, Young’s modulus, chloride permeability, and creep measurements were performed. These measurements demonstrated that MBC of calcium silicate concrete exhibits scaling problems due to the escape of ammonia gas, a product of the microbial reaction to generate CO 2 . As curing proceeds, the ability for the gas to escape from within the cylinder is restricted by the outer cylindrical portions densifying, making the outer portion highly impermeable to gas flow. In contrast, the small samples cured are uniformly cured, forming materials whose mechanical properties are 7x better than the large samples. This problem needs to be solved before this technology can be commercialized. The techno-economic and lifecycle analyses indicate that the technology developed in this program exhibits a significant opportunity to reduce the cost of cement and CO 2 emissions associated with concrete, provided the curing issue associated with larger samples can be addressed.
Regulatory Considerations for Nuclear Energy Applications of Digital Twin Technologies
Digital twins (DTs) in complex industrial and engineering applications have potential benefits that include increased operational efficiencies, enhanced safety and reliability, improved security engineering, reduced errors, faster information sharing, and better predictions. The interest in DT technologies continues to grow, and many of these advanced technologies are expected to experience rapid and wide industry adoption in the near future. Some of the potential application areas for DTs in the nuclear industry are design, licensing, plant construction, training simulators, predictive operations and maintenance, autonomous operation and control, failure and degradation prediction, physical protection modeling and simulation, and safety and reliability analyses. The Office of Nuclear Regulatory Research at the U.S. Nuclear Regulatory Commission (NRC) has initiated a future-focused research project to assess the regulatory viability of DTs for nuclear power plants and other NRC-regulated activities, such as fuel cycle facilities and operations. This report explores the potential impact of DT technologies in nuclear applications on NRC-regulated activities of interest. This report describes a nuclear DT system and its capabilities for nuclear power plant applications, followed by identification and discussion of some regulated activities that merit special consideration and present opportunities in implementing DT-enabling technologies and capabilities.
Recent MCNP® Code Developments and Improvements for Nuclear Energy Applications [Slides]
The MCNP® code is a general-purpose radiation transport code developed at LANL over the past 46+ years. This code is capable of modeling the fundamental physics of particles as they move through and interact with materials. It is used in many LANL and worldwide radiation transport applications (see next slide) for example in the Fundamental nuclear physics and data experiments at LANSCE.
Multi-component Ceramics for Energy Applications [Slides]
Abstract not provided.
Machine learning assisted prediction of tungsten heavy alloy plasma facing component performance for fusion energy applications
Tungsten and tungsten heavy alloys (WHAs), known for their remarkably high hardness, durability, and corrosion resistance, play a critical role in the thriving development of nuclear fusion reactors in recent years. However, the exploration in tungsten alloys for the nuclear-related applications has been limited by the difficulty of manufacturing and the complexity of experiments to reproduce the environment of nuclear reaction. Therefore, this project aims to utilize nanoscale simulation methods such as density functional theory (DFT) and molecular dynamics (MD) with the help of machine learning techniques to not only understand the mechanisms of tungsten alloys but also allow us to computationally predict their mechanical behaviors under extreme environments. One critical problem of the application of WHAs in nuclear reactors is the surface melting. In the current design of the SPARC reactor, the WHA, W97Ni2.1Fe0.9 or W97NiFe, is chosen to be the first wall components to confine the plasma where the particles are fiercely moving and colliding into each other to create nuclear fusion reaction. This process will generate extremely high heat flux onto these WHA tiles, leaving high surface temperature that could possibly melt the surface of the WHA tiles, As illustrated in Fig. 1(a). a laser experiment previously done illustrates that a rough surface damage would be made after the surface melting where the matrix area mainly composed of nickel and iron as shown in Fig. 1(b), will first melt and then leave vacancies between these tungsten grains. Unfortunately, these kinds of roughness on the first-wall components could be deadly to the plasma inside a Tokmak reactor because the heat that is supposed to dissipate at a designed ratio through the tiles may in turn be excessively absorbed and accumulated on any uneven area of the surface, which will eventually make the whole nuclear reaction fail. In this project, we will introduce a machine learning potential, Allegro, based on DFT calculation and then build a MD model for W-Ni-Fe alloys.
Panel Session: Robotic Digital Twin for Nuclear and Energy Applications
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Understanding the Molecular‐level Interactions Between Ionic Liquids and Molecular Species to Design and Develop Novel Solvent Systems for Environmental and Energy Applications (DOE-EPSCoR – DE‐SC0020282 Final Technical Report)
The central theme of the work is to develop an understanding of the molecular-level interactions between ionic liquids and molecular species that govern a specific set of separations (aliphatic/aromatic, Topic I), reactions (SNAr, high-temp reactions, Topic II) and polymer (ultrahigh performance polymers, Topic III) synthesis processes through the synergistic application of synthesis, characterization and simulation. Understanding these interactions will provide significant insight into how to optimize these and other processes that are influenced by these interactions. An important additional goal is to build the collaborative infrastructure to enable the cluster researchers to develop professional relationships to enhance this and future research endeavors. This collaboration, the Alabama Advanced Solvents Cluster (AASC) is on ongoing collaborative effort between many of the investigators.
Materials discovery for high-temperature clean-energy applications via defect graph neural networks
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A Performance Comparison Between Hydraulic and Electric Energy Storage Systems for Wave Energy Applications
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