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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Synthesis of LiNiO 2 at Moderate Oxygen Pressure and Long-Term Cyclability in Lithium-Ion Full Cells

The widespread adoption of electric vehicles necessitates higher-energy-density and longer-life cathode materials for Li-ion batteries. LiNiO 2 offers a higher energy density at a lower cost than other high-Ni-content cathodes containing additional transition-metal ions. However, detrimental phase transformations and impedance growth, resulting from structural defects formed during synthesis, lead to poor cyclability and limit the practical viability of LiNiO 2 . Herein, we demonstrate a considerably improved cycle life for LiNiO 2 by synthesizing it under a pressurized oxygen environment. The capacity retention in pouch-type full cells with a graphite anode after 1000 cycles is increased from 59 to 76% by applying a mere 1.7 atm of oxygen pressure during the synthesis of LiNiO 2 . With iodometric titration and inductively coupled plasma optical emission spectroscopy analysis, we provide clear evidence that oxygen pressure during synthesis reduces the occurrence of lattice oxygen vacancies and increases the content of Ni 3+ in LiNiO 2 , improving its structural integrity and cyclability. Post-mortem analysis of the cycled cathodes provides insights into the sources of degradation occurring during long-term cycling. Here, this work demonstrates a practically viable, synthetic approach combined with doping and coating to achieve improved performance with high-Ni layered oxide materials. Furthermore, this work represents the first report of extended cycling of LiNiO 2 in pouch full cells with graphite anode and will, therefore, serves as an important benchmark for future research on LiNiO 2 .

25 ENERGY STORAGE↗
DOE OSTI2013

Development of a new type of high pressure calorimetric cell, mechanically agitated and equipped with a dynamic pressure control system: Application to the characterization of gas hydrates

A novel prototype of calorimetric cell has been developed allowing experiments under pressure with an in situ agitation system and a dynamic control of the pressure inside the cell. The use of such a system opens a wide range of potential practical applications for determining properties of complex fluids in both pressurized and agitated conditions. The technical details of this prototype and its calibration procedure are described, and an application devoted to the determination of phase equilibrium and phase change enthalpy of gas hydrates is presented. Our results, obtained with a good precision and reproducibility, were found in fairly good agreement with those found in literature, illustrate the various interests to use this novel apparatus.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Volume collapse phase transitions in cerium-praseodymium alloys under high pressure

Cerium-12at%Praseodymium(Ce 0.88 Pr 0.12 ) and Ce-50at%Praseodymium(Ce 0.50 Pr 0.50 ) alloy samples that contain a random solid-solution of Ce (4f1 (J=5/2)) and Pr (4f2 (J=4)) localized f-states have been studied by angle dispersive x-ray diffraction in a diamond anvil cell to a pressure of 65 GPa and 150 GPa respectively using a synchrotron source. Ce 0.88 Pr 0.12 alloy crystallizes in a face-centered cubic (γ-phase) structure at ambient conditions, while Ce 0.50 Pr 0.50 alloy crystallizes in the double hexagonal close packed (dhcp) structure at ambient conditions. Two distinct volume collapse transitions are observed in Ce 0.88 Pr 0.12 alloy at 1.5 GPa and 18 GPa with volume change of 8.5% and 3% respectively. In contrast, Ce 0.50 Pr 0.50 alloy shows only a single volume collapse of 5.6% at 20 GPa on phase transformation to α-Uranium structure under high pressure. Electrical transport measurements under high pressure show anomalies in electrical resistance at phase transitions for both compositions of this alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2014

High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

Here, 1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ). In this study, we have investigated the high pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (~110 °C) and β → γ (~160 °C) structural phase transitions; as well as, indicated an additional transition γ → δ (~210 °C), with the δ phase being stable up to ~251 degree C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 degree C, while β → β+δ phase transition shifted to ~300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa..

36 MATERIALS SCIENCE↗
DOE OSTI2021

Formation of short-range magnetic order and avoided ferromagnetic quantum criticality in pressurized LaCrGe 3

LaCrGe 3 has attracted attention as a paradigm example of the avoidance of ferromagnetic (FM) quantum criticality in an itinerant magnet. In this work, we combined thermodynamic (specific heat and thermal expansion), transport, x-ray, and neutron scattering as well as μSR measurements to obtain insights on the temperature-pressure phase diagram of LaCrGe 3 . Consistent with previous studies of the phase diagram by transport measurements, our thermodynamic data shows clearly that the FM transition at T FM changes its character from second order to first order when it is suppressed to low temperatures by pressure. In addition, previous studies demonstrated that for high pressures a new phase occurs below T 2 , which was proposed to be a long-wavelength antiferromagnetic state (AFM q ). In this paper, we provide evidence from our thermodynamic data that this phase transition is preceded by yet another phase transition at T 1 >T 2 . Our μSR data indicate that full magnetic volume fraction is only established below T 2 , but that this magnetism is characterized by a short correlation length. Within the experimental resolution, our neutron-scattering data is not able to identify any magnetic Bragg peaks. Overall, the microscopic magnetic data is therefore consistent with the formation of FM clusters in the proximity of the avoided FM quantum critical point in LaCrGe 3 . This conclusion is at odds with the previous proposal of AFM q order and raises questions on the role of disorder in this stochiometric compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Steel–Concrete Composite Pressure Vessels for Hydrogen Storage at High Pressures

The need to store large quantities of hydrogen in large diameter steel vessels under high pressures results in shell thicknesses that are too large to produce by most steel mills and not practical to fabricate. Accordingly, a research program was undertaken by Oak Ridge National Laboratory to develop a new concept of combining steel with concrete to construct such vessels economically and practically. The concept is to fabricate vessels where the steel shell thickness is approximately one half that required to resist the hoop forces due to internal pressure. As such, the steel shell is designed to carry the full amount of the longitudinal forces in the vessel but only one half of the hoop loads due to internal pressure. The other half of the hoop loads is carried by a prestressed and reinforced concrete shell. In large diameter vessels, the cost of the shell can further be reduced by using layered steel shell construction rather than solid-wall construction. Such shell construction has also the added advantage of easily venting the hydrogen that permeates through the steel shell directly to the atmosphere through vent holes. This mechanism prevents the hydrogen from damaging the steel shell. The theoretical formulation of the steel concrete shell design is presented in this paper. Finally, in addition, details of a full-scale mock up vessel designed, fabricated, and tested to prove the proposed methodology are given.

42 ENGINEERING↗
DOE OSTI2021

High Pressure Brillouin Spectroscopy and X-ray Diffraction of Cerium Dioxide

Simultaneous high-pressure Brillouin spectroscopy and powder X-ray diffraction of cerium dioxide powders are presented at room temperature to a pressure of 45 GPa. Micro- and nanocrystalline powders are studied and the density, acoustic velocities and elastic moduli determined. In contrast to recent reports of anomalous compressibility and strength in nanocrystalline cerium dioxide, the acoustic velocities are found to be insensitive to grain size and enhanced strength is not observed in nanocrystalline CeO 2 . Discrepancies in the bulk moduli derived from Brillouin and powder X-ray diffraction studies suggest that the properties of CeO 2 are sensitive to the hydrostaticity of its environment. Our Brillouin data give the shear modulus, G 0 = 63 (3) GPa, and adiabatic bulk modulus, K S0 = 142 (9) GPa, which is considerably lower than the isothermal bulk modulus, K T0 ~ 230 GPa, determined by high-pressure X-ray diffraction experiments.

36 MATERIALS SCIENCE↗
NASA NTRS2014

High Temperature Dynamic Pressure Measurements Using Silicon Carbide Pressure Sensors

Un-cooled, MEMS-based silicon carbide (SiC) static pressure sensors were used for the first time to measure pressure perturbations at temperatures as high as 600 C during laboratory characterization, and subsequently evaluated in a combustor rig operated under various engine conditions to extract the frequencies that are associated with thermoacoustic instabilities. One SiC sensor was placed directly in the flow stream of the combustor rig while a benchmark commercial water-cooled piezoceramic dynamic pressure transducer was co-located axially but kept some distance away from the hot flow stream. In the combustor rig test, the SiC sensor detected thermoacoustic instabilities across a range of engine operating conditions, amplitude magnitude as low as 0.5 psi at 585 C, in good agreement with the benchmark piezoceramic sensor. The SiC sensor experienced low signal to noise ratio at higher temperature, primarily due to the fact that it was a static sensor with low sensitivity.

Pressure Sensors↗
DOE OSTI2016

Fracture Sustainability Pressure, Temperature, Differential Pressure, and Aperture Closure Data

In these data sets, the experiment time, actual date and time, room temperature, sample temperature, upstream and downstream pressures (measured independently), corrected differential pressure (measured independently and corrected for offset and room temperature) indication of aperture closure by linear variable differential transformer are presented. An indication of the sample is in the file name and in the first line of data.

15 GEOTHERMAL ENERGY↗
DOE OSTI2013

Uncertainty quantification for evaluating impacts of caprock and reservoir properties on pressure buildup and ground surface displacement during geological CO2 sequestration

A series of numerical test cases reflecting broad and realistic ranges of geological formation properties was developed to systematically evaluate and compare the impacts of those properties on geomechanical responses to CO2 injection. A coupled hydro-geomechanical subsurface transport simulator, STOMP (Subsurface Transport over Multiple Phases), was adopted to simulate the CO2 migration process and geomechanical behaviors of the surrounding geological formations. A quasi-Monte Carlo sampling method was applied to efficiently sample a high-dimensional parameter space consisting of injection rate and 14 subsurface formation properties, including porosity, permeability, entry pressure, irreducible gas and aqueous saturation, Young’s modulus, and Poisson’s ratio for both reservoir and caprock. Generalized cross-validation and analysis of variance methods were used to quantitatively measure the significance of the 15 input parameters. Reservoir porosity, permeability, and injection rate were found to be among the most significant factors affecting the geomechanical responses to the CO2 injection. We used a quadrature generalized linear model to build a reduced-order model that can estimate the geomechanical response instantly instead of running computationally expensive numerical simulations.

CO2 geological sequestration↗
DOE OSTI2020

Microwave-driven heterogeneous catalysis for activation of dinitrogen to ammonia under atmospheric pressure

This paper presents an innovative approach to producing energy-dense, carbon–neutral liquid ammonia as a means for carrying energy. This approach synergistically integrates microwave reaction chemistry with novel heterogeneous catalysis that decouples dinitrogen activation from high-temperature and high-pressure reactions, altering reaction pathways and increasing ammonia formation rate. Results presented here demonstrate that ammonia synthesis can be conducted at 280 ? and ambient pressure to achieve ~1 mmol ammonia/g cat/h over supported ruthenium catalyst systems utilizing microwave irradiation. It is further shown that adding promoter ions such as potassium, cerium, and barium significantly improves the ammonia production rate over undoped ruthenium-based catalysts. This effect could be attributed to enhanced dielectric loss processes that lead to stronger microwave absorption by the catalyst. Measurement of the equilibrium constant under microwave conditions showed a higher ammonia yield than under thermal equilibrium conditions for both the iron- and ruthenium-based catalysts. Finally, this study also illustrates the advantages of using a variable-frequency microwave reactor for ambient-pressure ammonia synthesis. Mechanistically, investigators believed that the oscillating electric fields of the radiation can couple with adsorbed nitrogen on the surface and accelerate its dissociation. Since dinitrogen dissociation on the surface is rate limiting, this effectively accelerates the reaction.

Hu, Jianli (John)↗