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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Phase Transitions in Metal–Organic Frameworks Directly Monitored through In Situ Variable Temperature Liquid-Cell Transmission Electron Microscopy and In Situ X-ray Diffraction

Zr 6 -based metal–organic frameworks (MOFs) with tetratopic organic linkers have been extensively investigated owing to their versatile structural tunability. While diverse topologies and polymorphism in the resulting MOFs are often encountered with tetratopic linkers and Zr 6 nodes, reports on phase transitions within these systems are rare. Thus, we have a limited understanding of polymorph transformations, hindering the rational development of pure phase materials. In this study, a phase transition from a microporous MOF, scu-NU-906, to a mesoporous MOF, csq-NU-1008, was discovered and monitored through in situ variable temperature liquid-cell transmission electron microscopy (VT-LCTEM), high-resolution transmission electron microscopy (HRTEM), and in situ variable temperature powder X-ray diffraction (VT-PXRD). Furthermore, it was found that the microporous- to-mesoporous transformation in the presence of formic acid occurs via a concomitant dissolution–reprecipitation process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Grain Boundary Plane Measurement Using Transmission Electron Microscopy Automated Crystallographic Orientation Mapping for Atom Probe Tomography Specimens

Abstract Grain boundaries are critical in determining the properties of materials, including mechanical stability, conductivity, and corrosion resistance. The specific properties of materials depend not only on the misorientation of the crystals, the three most commonly characterized parameters, but also on the angle of the grain boundary plane between the two crystals, the final two parameters in the five-parameter macroscopic description of the grain boundary. The method presented here allows for the direct measurement of all five parameters of the grain boundary in a transmission electron microscopy specimen of various morphologies. This is especially applicable to atom probe specimens, where only a single-tilt axis is generally available, allowing the crystallographic description to be matched to the detailed chemical data available in the atom probe tomography. This method provides a platform for efficient grain boundary analysis in unique samples, saving operator time and allowing for ease of acquisition and interpretation in comparison with traditional electron diffraction methods.

Materials Science↗
DOE OSTI2021

In Situ Transmission Electron Microscopy of High-Temperature Inconel-625 Corrosion by Molten Chloride Salts

This paper describes an approach to monitor high temperature molten chloride (MgCl 2 -NaCl-KCl) salt corrosion of Inconel-625 alloy in real time at high spatial resolution. The approach is based on a micro-environmental-cell assembly integrated into a transmission-electron-microscope goniometer to examine in situ the salt-alloy interface during corrosion, employing real time electron diffraction and imaging. It establishes procedures to minimize incorporation of H 2 O or O 2 from atmosphere in the chloride salts during sample fabrication and corrosion, which is critical to understanding the fundamental corrosion mechanisms. A clustering algorithm and a 2D Gaussian fit function are used to determine diffraction spot intensities in in situ diffraction patterns, to quantify alloy corrosion. This facilitates quantitative observation of the evolution of individual grains, in contrast to conventional macroscopic corrosion rate quantification. The isothermal corrosion rate of Inconel-625 in an anhydrous, unoxidized salt-stack is 220 ± 30 μm year -1 at 700 °C and 350 ± 20 μm year -1 at 800 °C. However, the corrosion rate at 700 °C increases five-fold to 1000 ± 170 μm year -1 when the salt stack is air-exposed, indicating the dominant effects of hydrated or oxidized impurities on corrosion acceleration. Furthermore, real time imaging of the microstructure evolution suggests that corrosion is initiated at grain boundaries.

14 SOLAR ENERGY↗
DOE OSTI2022

Approaches for effective negative pressure isolation space control to minimize airborne transmission of contaminants in residential homes

Controlling airborne transmission of contaminants including respired viruses such as SARS-CoV-2 is necessary to protect occupants living in the same house with a contagious person. The effectiveness of interventions requiring minor efforts that create a negative pressure isolation zone (IZ) for a contagious person has yet to be systematically tested for residential homes. In this study, ASHRAE Standard 170, which offers guidance for negative pressure isolation space control in healthcare facilities, was used in developing practical and attainable recommendations for residential single-family homes. The relative effectiveness of several control strategies was evaluated through experimentally conducting 17 different test cases in a manufactured single-family house laboratory. These cases were designed based on various heating, ventilation and air-conditioning (HVAC) operating scenarios, intervention measures including closing the IZ door and/or sealing over supply and return air grilles in the IZ, and utilization of bathroom exhaust or portable window fans for pressure control. Four out of 17 test cases were identified as having the potential for strong containment with adequate depressurization in the IZ. The most effective IZ depressurization was achieved through continuously operating the exhaust fan in the bathroom attached to the IZ, by installing a portable window fan that extracted air out of the IZ, and a portable room air conditioner with the AC unit exhaust duct installed in one of the IZ windows.

Construction & Building Technology↗
DOE OSTI2021

Intrinsic Li Distribution in Layered Transition-Metal Oxides Using Low-Dose Scanning Transmission Electron Microscopy and Spectroscopy

Understanding Li distribution in layered lithium transition-metal oxide (LiTMO) cathodes in Li-ion batteries has been a major challenge at the atomic scale and nanoscale. Li is extremely difficult to study by transmission electron microscopy (TEM) because the high-energy electrons impart significant energy and cause massive migration. Here, we directly map the intrinsic spatial distribution and bonding of Li in LiNiO 2 -layered cathode materials using low-dose and low-loss electron energy loss spectroscopy (EELS). EELS spectra of the Li–K edge are measured simultaneously with O–K and Ni–L, M 3,2 edges from layered, cation-mixed, and rock-salt phases and directly matched with atomic-resolution scanning TEM images to correlate the changes in peak intensities and positions to the stoichiometry changes with continual loss of Li and O. Changes in the Li content in the LiNiO 2 particles as a function of electron beam dose are studied by sequential Li spectroscopic mapping. We show that the “intrinsic” Li distribution can be observed using a total dose of less than ~1.5 × 10 8 e – nm –2 at an accelerating voltage of 80 kV. The method of nanoscale mapping of Li distribution introduced in this study is applicable to high-Ni LiTMO cathode materials (>89% of Ni) as well as LiNiO 2 . Further study on the extra peaks of the Li–K edge reveals that the peak at ~59 eV is from the Li ions intercalated in between NiO 2 layers barely interacting with each other with less Li K shell electrons pulled to the L shell electrons in NiO 2 . Furthermore, the results shown here provide improved low-loss TEM characterization approaches that can be used to understand the intrinsic fundamental behaviors in Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

A Case Study on Pathogen Transport, Deposition, Evaporation and Transmission: Linking High-Fidelity Computational Fluid Dynamics Simulations to Probability of Infection

A high-fidelity, low-Mach computational fluid dynamics simulation tool that includes evaporating droplets and variable-density turbulent flow coupling is well-suited to ascertain transmission probability and supports risk mitigation methods development for airborne infectious diseases such as COVID-19. A multi-physics large-eddy simulation-based paradigm is used to explore droplet and aerosol pathogen transport from a synthetic cough emanating from a kneeling humanoid. For an outdoor configuration that mimics the recent open-space social distance strategy of San Francisco, maximum primary droplet deposition distances are shown to approach 8.1 m in a moderate wind configuration with the aerosol plume transported in excess of 15 m. In quiescent conditions, the aerosol plume extends to approximately 4 m before the emanating pulsed jet becomes neutrally buoyant. A dose–response model, which is based on previous SARS coronavirus (SARS-CoV) data, is exercised on the high-fidelity aerosol transport database to establish relative risk at eighteen virtual receptor probe locations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Optimizing Transmission of Acoustic Signals to Monitor Internal Conditions of Canisters for Dry Storage of Commercial Spent Nuclear Fuel

Safe storage of spent nuclear fuel (SNF) is critical to the nuclear fuel cycle and the future of nuclear energy. In the United States, SNF is stored primarily via two methods regulated by the U.S. Nuclear Regulatory Commission: wet storage in SNF pools and dry storage in dry cask storage systems (DCSSs). After about five years of cooling in spent fuel pools, the fuel assemblies are transferred into DCSSs, and the systems are filled with helium and sealed by welding. Deterioration of conditions inside of a DCSS is reflected in changes in the internal gas properties; this motivates the development of acoustic techniques to monitor internal gas properties, over extended storage periods, using sensors mounted on the exterior of the storage packages. However, a major challenge in collecting acoustic signals is the impedance mismatch between the steel canister shell and the gas. Only a small fraction of the ultrasonic signal can be transmitted through the gas medium. This paper documents experimental studies conducted on a full-scale canister mock-up to capture the gas-borne signals. Damping materials were pasted on the outside, and blocking and unblocking tests were conducted to identify the gas-borne signal. The results show that the excitation frequency plays an important role in maximizing the gas-borne signals. The gas-borne signal was successfully detected at around the theoretical time-of-flight. A high signal-to-noise ratio was achieved in the measurements. Next, the acoustic impedance matching layers were introduced, and the gas signal was drastically improved compared with that using no AIM layers.

Spent nuclear fuel (SNF), Canisters, Internal cond↗
DOE OSTI2022

An Enhanced Computational Framework for Energy Storage Participation in Transmission Planning with Electricity Market Participation: Dynamic Market Participation Restriction Estimation

In the previous study and report, we developed a computational framework to explore the technical and economic viability of the dual use of pumped storage hydropower (PSH) for both transmission assets and market participation. The rationale for the dual-use application is to improve the resource utilization rate and reduce the cost recovery burden. A PSH-based transmission solution generally has a large capacity, which corresponds to a higher investment cost compared to a traditional line solution. Market participation may allow the PSH asset to offset part of its high investment cost. A critical question is whether it is economically and technically viable to allow dual use of a PSH-based transmission project without jeopardizing transmission system reliability. And a more specific follow-up question is how to improve market participation performance while maintaining transmission reliability. In this study, we extend the computational framework by updating the method to determine transmission service obligation requirements dynamically based on the possibility of the need for transmission service in operation. Specifically, we correlate the need for transmission service with the probability of thermal overloading on a monitored transmission line, which is essentially based on the probability distribution of power flow and its probability of exceeding the line rating based on system dispatch and operational uncertainties. In addition, the need depends on the level of risk that a system operator is willing to take. The higher the risk tolerance, the lower the requirement that the system operator would apply to the PSH project as a transmission asset. The requirements are updated every day before the PSH project determines its market participation strategy. With the updated transmission service requirements, it is expected that a PSH project can serve as a transmission asset when the transmission system is at risk and really needs it, while it can participate in a market with sufficient information and certain restrictions. In this way, the transmission service quality and market participation performance can both be improved.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Laboratory Experiments Examining the Effect of Thermal and Mechanical Processes on Hydraulic Transmissivity Evolution

Using laboratory slide-hold-slide experiments, at temperatures from 22 to 200 degrees C, to examine effects of fracture reactivation and quasi-static loading on the evolution of fluid transport properties of simulated fractures in Westerly granite. At all temperatures, the in-plane hydraulic transmissivity consistently decays during hold periods resulting in an overall reduction in transmissivity. During the first three to fifteen hours of an experiment, transmissivity decreases rapidly due to the generation of wear products, development of a sliding surface, and compaction of the resulting gouge. Once the sliding surface has developed, the long-term transmissivity decay rate at 22 and 100 degrees C is significantly lower than the transmissivity decay rate during the initial 3-15 hours of the experiment. However, at 200 degrees C, the decay of hydraulic transmissivity remains high throughout the experiment. The long-term decay of hydraulic transmissivity can be fitted with a power law model with more rapid reduction of hydraulic transmissivity at higher temperature. Periods of sliding on the fracture surface result in transient increases in the transmissivity, due to shear dilation, as is expected for Coulomb materials. These transients are superimposed on the long-term decay. When sliding ceases and a new hold period commences, there is a rapid reduction in transmissivity and return to the long-term rate of transmissivity decay. The rate of decay of the transmissivity transients is inversely correlated with temperature, in contrast to the long-term decay and the expected behavior for processes like subcritical crack growth and indentation creep. The higher decay rates that are observed during the initial 3-15 hours of the tests and following sliding, are associated with times that the porosity of the gouge is expected to be high. The difference in decay rates suggests that when the gouge is driven far from equilibrium by active shearing, densification may be dominated by a different mechanism from long-term compaction.

15 GEOTHERMAL ENERGY↗