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At least 199 records · Page 11

Food Fortification Stability Study

NASA has established the goal of traveling beyond low-Earth orbit and extending manned exploration to Mars. The length of proposed Mars missions and the lack of resupply missions increases the importance of nutritional content in the food system, which will need a five year shelf life. The purpose of this research is to assess the stability of vitamin supplementation in traditionally processed spaceflight foods. It is expected that commercially available fortification nutrients will remain stable through a long duration exploration mission at sufficient levels if compatible formulation, processing, and storage temperatures are achieved. Five vitamins (vitamin E, vitamin K, pantothenic acid, folic acid, and thiamin) were blended into a vitamin premix (DSM, Freeport, TX) such that the vitamin concentration per serving equaled 25% of the recommended daily intake after two years of ambient storage. Four freeze-dried foods (Scrambled Eggs, Italian Vegetables, Potatoes Au Gratin, Noodles and Chicken) and four thermostabilized foods (Curry Sauce with Vegetables, Chicken Noodle Soup, Grilled Pork Chop, Rice with Butter) were produced, with and without the vitamin premix, to assess the impact of the added fortification on color and taste and to determine the stability of supplemental vitamins in spaceflight foods. The addition of fortification to spaceflight foods did not greatly alter the organoleptic properties of most products. In most cases, overall acceptability scores remained above 6.0 (minimum acceptable score) following six months and one year of low-temperature storage. Likewise, the color of fortified products appears to be preserved over one year of storage. The only exception was Grilled pork Chop and Chicken Noodle Soup whose individual components appear to degrade rapidly over one year of storage. Finally, most vitamins appear to be stable during long-term storage. The only exception was thiamin, which degraded rapidly during the first year of storage at 35˚C. It was previously believed that the imprecise method of fortification would prove problematic for nutrient quantification; however this was only an issue in stored samples of Grilled Pork Chop, Italian Vegetables and Curry Sauce with Vegetables. Year two data may further reveal the extent to which this is a problem, as well as identify overall quality changes over time.

Sirmons, T.↗

Fundamental Aeroelastic Analysis of an Urban Air Mobility Rotor

A computational investigation was conducted of the aeroelastic characteristics of a representative rotor typical of aircraft for Urban Air Mobility. A rotorcraft comprehensive analysis was used to examine the aeroelastic characteristics of the model, both in hover and in forward flight. Throughout the study, parameters examined included rotor rotational speed, forward flight speed, blade torsion stiffness, and chordwise locations of the blade elastic axis and center of gravity. Three sets of airfoil properties were analyzed: NACA 0012, VR8, and VR12. For hover, the effect of dynamic inflow was studied via a comparison of uniform inflow and dynamic inflow models. Thrust coefficient and blade tip twist were analyzed to ascertain performance characteristics, and eigen analysis was employed to determine stability. For the forward flight cases, rpm and forward flight speed were swept separately, and the effect of each on performance and stability was assessed. Thrust coefficient and mean drag coefficient were used to evaluate performance of the rotor, and eigen analysis was invoked to study rotor stability. Forward flight stability results generated via a constant coefficient analysis were compared with results generated via Floquet Theory.

Fundamental Aeroelastic Analysis↗

Status on the Verification of Combustion Stability for the J-2X Engine Thrust Chamber Assembly

Development is underway of the J -2X engine, a liquid oxygen/liquid hydrogen rocket engine for use on the Space Launch System. The Engine E10001 began hot fire testing in June 2011 and testing will continue with subsequent engines. The J -2X engine main combustion chamber contains both acoustic cavities and baffles. These stability aids are intended to dampen the acoustics in the main combustion chamber. Verification of the engine thrust chamber stability is determined primarily by examining experimental data using a dynamic stability rating technique; however, additional requirements were included to guard against any spontaneous instability or rough combustion. Startup and shutdown chug oscillations are also characterized for this engine. This paper details the stability requirements and verification including low and high frequency dynamics, a discussion on sensor selection and sensor port dynamics, and the process developed to assess combustion stability. A status on the stability results is also provided and discussed.

Casiano, Matthew↗

Application of quasi-deep convective clouds method for MODIS and VIIRS TEB calibration assessments

A technique to use deep convective clouds (DCC) and quasi-DCC (qDCC) for the calibration assessment of the thermal emissive bands (TEB) on remote sensing instruments has proven feasible. The Terra and Aqua MODIS and S-NPP and NOAA-20 VIIRS TEB calibration uses a nonlinear algorithm whose nonlinear coefficients rely on on-orbit black body (BB) warm-up and cool-down (WUCD) activities for updates. However, the limited BB temperature range affects the calibration’s uncertainty. The DCC core, one of the coldest Earth scenes, is suitable for MODIS calibration assessments; more specifically, for the evaluation of the offset effect in its TEB quadratic calibration function. Moreover, nighttime qDCC measurements provide the advantage of removing solar reflectance effects, thus enhancing the assessment’s accuracy for the midwave infrared TEB. In this paper, the qDCC method is applied to the Terra MODIS and VIIRS TEB. Their stabilities are assessed using long-term DCC and qDCC trending measurements over the instruments’ entire missions. The measurements from bands with an approximately 11-μm wavelength are used to identify the DCC pixels. MODIS band31 (~ 11m) has demonstrated stable performance and accurate calibration for both instruments throughout their respective missions. MODIS band31 can therefore be used as a reference for the other TEB. Furthermore, it also allows for a Terra and Aqua MODIS TEB cross-comparison. The assessment results, along with the calibration uncertainty and Level 1B product impact modeling, can be quite helpful for calibration improvements.

MODIS↗

Implicit Multirate GARK Methods

This article considers multirate generalized-structure additively partitioned Runge–Kutta methods for solving stiff systems of ordinary differential equations with multiple time scales. These methods treat different partitions of the system with different timesteps for a more targeted and efficient solution compared to monolithic single rate approaches. With implicit methods used across all partitions, methods must find a balance between stability and the cost of solving nonlinear equations for the stages. In order to characterize this important trade-off, we explore multirate coupling strategies, problems for assessing linear stability, and techniques to efficiently implement Newton iterations for stage equations. Unlike much of the existing multirate stability analysis which is limited in scope to particular methods, we present general statements on stability and describe fundamental limitations for certain types of multirate schemes. New implicit multirate methods up to fourth order are derived, and their accuracy and efficiency properties are verified with numerical tests.

97 MATHEMATICS AND COMPUTING↗

SPRUCE Climate Warming and Elevated CO2 Rapidly Alter Peatland Soil Carbon Sources and Stability: Supporting Data

This data set reports a suite of complementary biogeochemical analyses of peat samples from the SPRUCE (Spruce and Peatland Responses Under Changing Environments) experiment. Results were collected using quantitative molecular analysis of bulk soil carbon to assess the stability of soil organic carbon following whole-ecosystem warming and exposure to elevated carbon dioxide concentrations (eCO2). Targeted soil organic carbon components include solvent-extractable compounds (alkanoic acids, alkanols, alkanes, steroids, and terpenoids), ester-bound hydrolysable biopolymers (cutin and suberin markers), lignin phenols, and pyrogenic carbon. Bulk peat samples were analysed by Soxhlet extraction and solid phase separation for solvent-extractable compounds, alkaline hydrolysis to extract hydrolysable biopolymers, copper (II) oxide oxidation to extract lignin phenols and benzene polycarboxylic acids (BPCAs) as an approximation of pyrogenic carbon. Samples were analysed by gas chromatography (GC) equipped with a flame ionization detector (GC-FID) and compound identification was performed on GC coupled to mass selective detector (MS) for solvent-extractable compounds, ester-bound hydrolysable biopolymers and lignin phenols, and high-performance liquid chromatograph (HPLC) for pyrogenic carbon. Results are presented in Ofiti et al. (accepted). The experimental work was conducted on samples collected in August 2018 at the SPRUCE climate manipulation experiment in northern Minnesota, 40 km north of Grand Rapids, in the USDA Forest Service Marcell Experimental Forest (MEF). Samples were collected and later analysed in a 10 cm increments over 0 to 50 cm depth and 25 cm intervals from 50 to 75 cm. Samples were analyzed for lignin phenols over 0 to 30 cm depth. This data set contains one file in comma separate (*.csv) format. This dataset contains data used to produce: Ofiti, N.O.E., Schmidt, M.W.I., Abiven, S., Hanson, P.J., Iversen, C.M., Wilson, R.M., Kostka, J.E., Wiesenberg, G.L.B., Malhotra, A. 2023. Climate warming and elevated CO2 rapidly alter peatland soil carbon sources and stability. Nat Commun 14, 7533. https://doi.org/10.1038/s41467-023-43410-z.

SPRUCE experiment, Marcell Experimental Forest, so↗

Distributed Engine Control Empirical/Analytical Verification Tools

NASA's vision for an intelligent engine will be realized with the development of a truly distributed control system featuring highly reliable, modular, and dependable components capable of both surviving the harsh engine operating environment and decentralized functionality. A set of control system verification tools was developed and applied to a C-MAPSS40K engine model, and metrics were established to assess the stability and performance of these control systems on the same platform. A software tool was developed that allows designers to assemble easily a distributed control system in software and immediately assess the overall impacts of the system on the target (simulated) platform, allowing control system designers to converge rapidly on acceptable architectures with consideration to all required hardware elements. The software developed in this program will be installed on a distributed hardware-in-the-loop (DHIL) simulation tool to assist NASA and the Distributed Engine Control Working Group (DECWG) in integrating DCS (distributed engine control systems) components onto existing and next-generation engines.The distributed engine control simulator blockset for MATLAB/Simulink and hardware simulator provides the capability to simulate virtual subcomponents, as well as swap actual subcomponents for hardware-in-the-loop (HIL) analysis. Subcomponents can be the communication network, smart sensor or actuator nodes, or a centralized control system. The distributed engine control blockset for MATLAB/Simulink is a software development tool. The software includes an engine simulation, a communication network simulation, control algorithms, and analysis algorithms set up in a modular environment for rapid simulation of different network architectures; the hardware consists of an embedded device running parts of the CMAPSS engine simulator and controlled through Simulink. The distributed engine control simulation, evaluation, and analysis technology provides unique capabilities to study the effects of a given change to the control system in the context of the distributed paradigm. The simulation tool can support treatment of all components within the control system, both virtual and real; these include communication data network, smart sensor and actuator nodes, centralized control system (FADEC full authority digital engine control), and the aircraft engine itself. The DECsim tool can allow simulation-based prototyping of control laws, control architectures, and decentralization strategies before hardware is integrated into the system. With the configuration specified, the simulator allows a variety of key factors to be systematically assessed. Such factors include control system performance, reliability, weight, and bandwidth utilization.

DeCastro, Jonathan↗

Recent Improvements and Verification of A Full Body Model in Opensim

BACKGROUND: The dynamic feasibility [1,2] criterion, that the subject’s Center of Pressure (COP) be located within the Base of Support (BOS) which outlines the feet, has aided in assessing the stability of human motion recorded on earth while performing the recorded tasks in lunar gravity or as countermeasures exercises on a vibration isolation and stabilization system in microgravity. The convex hull of the BOS on the platform under the subject’s feet was estimated using virtual markers on the feet of the scaled subject model. The COP was calculated using the ground reaction forces and moments determined from motion capture data with biomechanical modeling tools [3]. Occasionally, large-amplitude oscillatory spikes or “artifacts” were observed in the subject’s linear and angular momentum derivatives, affecting some COP data derived from motion capture. The purpose of this investigation was to assess and improve the accuracy of model scaling and BOS estimation as well as to determine the efficacy of model adjustments in mitigating artifacts influencing motion capture-derived ground reaction force and COP results. METHODS: To aid evaluation of proposed process and model updates, motion capture data were collected for two subjects during unit test and range of motion trials, lunar tasks, and countermeasures exercise motions. Markers were added to the full body Plug-in Gait marker set [4] during data collection. New markers were placed on the front, back, sides, and top of the head to improve scaling using distances between marker pairs. Medial elbow markers were added to stabilize the upper arm during OpenSim Inverse Kinematics (IK) [5]. Finally, markers were added on the outer edge of the heels and on the outside edges of the first and last toes on each foot. These additional foot markers were made available to test new automated foot scaling techniques and to calculate the error between the subject’s estimated and recorded BOS. The modified unscaled OpenSim Full Body Rajagopal Model [6,7] was adjusted using some previously investigated techniques [8] to mitigate rapid shifts in joint angles occurring during IK, as these were found to cause the spike artifacts observed in subsequent stages of analysis. Since OpenSim models use Euler angles and rotation sequences, the arm axes of rotation were adjusted, and the pelvis order of rotation was changed to minimize the likelihood of encountering “gimbal lock” during common human motion. The model clavicle, arm, elbow, wrist, pelvis, and ankle angle limits were adjusted to better accommodate the full human range of motion seen in exercise and lunar data. The shoulder joint center was calculated using a “pivoting” algorithm [9], and both shoulder joint center and upper arm markers were included during IK to provide additional shoulder stability on a case-by-case basis. The quality of IK results was assessed by three criteria: minimizing error between recorded motion capture markers and model markers, checking for reasonable rates of change in joint angles between fames (i.e., no IK artifacts), and ensuring the absence of spikes in the inertial forces and angular momentum derivatives calculated using a custom OpenSim plugin [10]. RESULTS: The additional markers placed on the subject during data collection allowed the head and feet to be scaled more accurately using distances between new marker pairs. Scaling with BOS markers placed on the subject and removing the limit on subtalar angle resulted in more accurate BOS determination. Unrealistically large changes in joint angles between frames could be reduced by including clavicle, sternum, and medial elbow markers during IK. In cases with large arm ranges of motion, results could be further improved by running IK using medial elbow and virtual shoulder joint center markers. Model adjustments significantly improved the IK results affecting COP calculation and increased the accuracy of BOS estimation.

C A Bell↗

PPPL Report on Reduced Modeling of Fusion Alpha Transport in ARC Burning Plasmas

We are reporting on the modeling of fusion alpha particle transport in the planned ARC fusion device being designed by the CFS (Commonwealth Fusion Systems: https://cfs.energy). The ARC tokamak is designed to operate in a burning-plasma regime characterized by a substantial population of fusion-born alpha particles. Alfvén eigenmode (AE) stability is assessed both analytically and numerically, incorporating alpha-particle drive, ion Landau, and radiative damping from thermal species and collisional damping from trapped electrons. Regions of unstable and near-threshold AE activity are mapped across ARC’s operational parameter space. Linear stability analysis with NOVA indicates multiple, often marginally unstable AEs, extending to toroidal mode numbers up to n= 30. The present report focuses on the ARC flat-top operating point prior to the sawtooth event. Alpha-particle transport on timescales exceeding the neoclassical slowing-down time is assessed using the NUBEAM module [1][2] of the TRANSP code [3], employing transport coefficients derived from the RBQ quasilinear modeling (cf. Appendix B). These global simulations identify favorable and unfavorable operating regimes with respect to alpha confinement, pressure redistribution, and overall alpha-heating efficiency. We also evaluate additional transport mechanisms—including neoclassical tearing mode (TM)–induced stochasticity, sawtooth-driven redistribution, and toroidal-field ripple using the kick model (cf. Appendix C) which makes use of the guiding-center code ORBIT, see Section 5. The kick model is integrated into TRANSP to enable self-consistent predictions of alpha-driven current formation and sustainment within the ARC scenario. Sensitivity scans are performed over the mode frequency, rational-surface alignment, island width, mode amplitude, and proximity of the limiter to the plasma. Our study provides an initial, physics-based guidance for machine design, operational planning, and equilibrium control, ensuring adequate alpha confinement and robust self-heating performance in ARC. Our simulations mostly targeted worst case scenarios, e.g. for TMs and sawteeth. Overall, we expect benign effects for the ARC scenario investigated in this work on fusion alpha confinement and losses in the presence of AEs, tearing modes and sawteeth. This report addresses three thrusts identified at the outset. The first thrust focuses on analytic estimates of the parametric dependencies of EP relaxation based on local AE stability simulations (Section 3). The second thrust involves global evaluations of AE stability using the NOVA, RBQ, and NUBEAM codes (Section 4). Finally, we investigate alpha-particle transport driven by low-frequency instabilities associated with sawteeth and tearing modes (Section 5).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Global Geologic Mapping of Io: Preliminary Results

A new global geologic map of Jupiter's volcanic moon, Io is being prepared, with the focus being on completion of a draft map by July 2008. Here initial results of the mapping are reported: a preliminary distribution of material units in terms of areas and a visual representation. Additionally, the mapping hopes to address some of the problems in Io geology. Thus far it has been discovered that Io's surface is dominated by plains material, thought to consist of Io's silicate crust covered by pyroclastic deposits and lava flows of silicate and sulfur-bearing composition. Many plains areas contain flow fields that cannot be mapped separately due to a lack of resolution or modification by alteration processes. Discrete lava flows and flow fields are the next most abundant unit, with bright (sulfur?) flows in greater abundance than dark (silicate?) flows. The source of most of Io's heat flow, the paterae, are the least abundant unit in terms of areal extent.Upon completion of the draft map for peer review, it will be used to investigate several specific questions about the geological evolution of Io that previously could not be well addressed, including: comparison of the areas versus the heights of Ionian mountains to assess their stability and evolution; correlation and comparison of Galileo Near-Infrared Mapping Spectrometer and Photopolarimeter-Radiometer hot spot locations with the mapped location of dark versus bright lava flows and patera floors to assess any variations in the types of sources for Io's active volcanism; and the creation of a global inventory of the areal coverage of dark and bright laval flows to assess the relative importance of sulfur versus silicate volcanism in resurfacing Io, and to assess whether there are regional concentrations of either style of volcanism that may have implications on interior processes.

Williams, David A.↗

Flight investigation of various control inputs intended for parameter estimation

An experiment assessing the stability and control derivatives resulting from various control inputs was undertaken using the F-8 digital fly by wire aircraft. Improved control inputs have been proposed as a means of making stability and contol derivative estimation more efficient, thus reducing the cost of flight testing and data analysis. The subject inputs were either generated by the pilot or preprogrammed in a remote ground computer and telemetered to the aircraft. Nine preprogrammed inputs and three pilot generated inputs were assessed at subsonic and supersonic flight conditions, and both unaugmented and highly augmented flight control systems were used. Effects of input amplitude were also assessed. The inputs were divided into two general types - sinusoidal or with corners (a rapid and distinct change in slope). The inputs with corners, performed in the unaugmented mode, produced the best sets of stability and control derivatives. The simplest of these inputs, the pilot generated doublet, produced sets of derivatives as good as those produced by the more complex inputs. Small inputs produced worse derivatives than the unaugmented mode, and sinusoidal inputs produced worse derivatives than corner containing inputs.

Shafer, M. F.↗

Unstructured Grid Euler Method Assessment for Longitudinal and Lateral/Directional Stability Analysis of the HSR Reference H Configuration at Transonic Speeds

Transonic Euler computations, based on unstructured grid methodology, are performed for a proposed High Speed Civil Transport (HSCT) configuration, designated as the Reference H configuration within the High Speed Research (HSR) Program. The predicted results are correlated with appropriate experimental wind-tunnel data for the baseline configuration with and without control surface deflections for a range of angle of attack at M(sub infinity) = 0.95. Good correlations between the predictions and measured data have been obtained for the longitudinal aerodynamic characteristics of the baseline configuration. The incremental effects in the longitudinal aerodynamic characteristics due to horizontal rail deflections as well as wing leading-edge and trailing-edge flap deflections have also been predicted reasonably well. Computational results and correlations with data are also presented for the lateral and directional stability characteristics for a range of angle of attack at a constant sideslip angle as well as a range of sideslip angles at a constant angle of attack. In addition, the results are presented to assess the computational method performance and convergence characteristics.

Ghaffari, Farhad↗

Does Chirality Influence the Stability of Amino Acid –Cu Complexes in the Salt-Induced Peptide Formation Reaction? Insights from Density Functional Theory Calculations

The polymerization of amino acids into peptides and ultimately proteins is critical to evolution of life. Ribosomally-synthesized proteins are homochiral, composed entirely of L-amino acids. Abiotic syntheses of amino acids, however, produce racemic mixtures(equal amounts of L and D enantiomers), meaning that the pool of monomers available for abiotic protein synthesis would be racemic or nearly so. There are no prebiotically plausible mechanisms known to yield homochiral peptides from racemic pools of amino acids. While some mechanisms capable of producing or amplifying enantiomeric excesses have been observed, these excesses are small or not applicable to all biologically relevant amino acids. As a result, a prebiotically-feasible mechanism to create enantiopure pools of amino acids has not been identified. However, it is not clear that these enantio-enriched or enantiopure pools are necessary to produce homochiral peptides. Steric and electronic effects, or a combination of both, may influence how different enantiomers interact with each other, potentially leading to homochiral peptides from racemic mixtures. Here, we use density functional theory (DFT) calculations to assess the stability of homochiral and heterochiral reactive complexes produced during polymerization via the salt-induced peptide formation (SIPF) reaction. Experimental studies of the SIPF reaction have shown that it enables the formation of peptides under diverse environmental conditions, making it a plausible pathway to peptide formation on early Earth. In the SIPF reaction, NaCl acts as a condensation reagent while a divalent metal cation, primarily Cu2+, facilitates polymerization by complexing and activating amino acids forming a monochlorocuprate complex. To assess if hetero-or homochiral monochlorocuprate complexes were energetically favored, we compared the stability of LL, DD, and LD enantiomers of Cu2+–(alanine)2and Cu2+–(valine) 2 complexes. Gaussian 09 density DFT energy-minimization calculations were made for each Cu –amino acid complex in the cis and trans configuration. Models were energy minimized using the BH and HLYP/6-31++G(d,p) level of theory and free energies were compared to determine the most stable configuration.

A C Fox↗

Orbital Injection of the SEDSAT Satellite: Tethered Systems Dynamics and Flight Data Analysis

This report deals with the following topics which are all related to the orbital injection of the SEDSAT satellite: Dynamics and Stability of Tether Oscillations after the First Cut. The dynamics of the tether after the first cut (i.e., without the Shuttle attached to it) is investigated. The tether oscillations with the free end are analyzed in order to assess the stability of the rectilinear configuration in between the two tether cuts; analysis of Unstable Modes. The unstable modes that appear for high libration angles are further investigated in order to determine their occurrences and the possible transition from bound librations to rotations; Orbital Release Strategies for SEDSAT. A parametric analysis of the orbital decay rate of the SEDSAT satellite after the two tether cuts has been carried out as a function of the following free parameters: libration amplitude at the end of deployment, deviation angle from LV at the first cut, and orbital anomaly at the second cut. The values of these parameters that provide a minimum orbital decay rate of the satellite (after the two cuts) have been computed; and Dynamics and Control of SEDSAT. The deployment control law has been modified to cope with the new ejection velocity of the satellite from the Shuttle cargo bay. New reference profiles have been derived as well as new control parameters. Timing errors at the satellite release as a function of the variations of the initial conditions and the tension model parameters have been estimated for the modified control law.

Lorenzini, Enrico C.↗

Stability and Performance of an Undersea Kite Operating in a Turbulent Flow Field

In this paper, we examine the effects of flow disturbances resulting from turbulence on the dynamic behavior of an underwater energy-harvesting kite system that executes periodic figure-8 flight. Due to the periodic nature of the kite’s operation, we begin by assessing orbital stability using the Floquet analysis and stroboscopic intersection analysis of a Poincaré section, with the former analysis performed on a simplified “unifoil” model and the latter performed on a six-degree-of-freedom (6-DOF)/flexible tether model. With periodic stability established, a frequency-domain analysis based on a linearization about the kite’s path is used to predict the quality of flight path tracking as a function of the turbulence frequency. To validate the accuracy of these simulation-based predictions under flow disturbances, we compare the predictions of the kite’s behavior against the results of small-scale tow testing experiments performed in a controlled pool environment.

13 HYDRO ENERGY↗

A Laboratory Assessment and Optimization of Nanoparticle-Stabilized CO2 Foams for Hydraulic Fracturing Applications

In this research, we have conducted a comprehensive assessment and optimization of aqueous CO2 foams for fracturing applications. The performance of CO2 foams is evaluated using three major matrices: foam stability, foam apparent viscosity, and leakoff. The response of these performance matrices to different internal factors and external conditions is evaluated. These factors and conditions include foam quality, nanoparticle concentration, salinity, shear rate, surfactant type and concentration, polymer concentration, and temperature. Before foam generation, the colloidal stability of the nanosilica dispersion is evaluated at different types of electrolytes and under high temperatures. With a good salinity resistance and thermal stability, the nanosilica is then used for the entire set of foam generation experiments. The foam configuration with optimized parameters is used for the leakoff test, which serves as a supplementary section to further demonstrate the advantages of the proposed foam system. Then the final commercialization section provides a general view of what should be considered to commercialize the research results. In general, it is found that the aqueous CO2 foam system has demonstrated a good potential to be used as a fracturing fluid. The design of the foam system needs to consider formations properties and formation fluid properties etc. to realize the optimal performance of the system on a laboratory scale.

02 PETROLEUM↗

First-principles investigation of phase stability in layered Na x ⁢CrO 2

Layered oxide intercalation compounds continue to attract interest as electrode materials for Na-ion batteries. However, many of these materials undergo complex phase transitions during cycling that influence battery performance but are still not completely understood. We have conducted a first-principles study of layered Na x ⁢CrO 2 (0 ≤ x ≤ 1) to assess phase stability between various Na-vacancy ordered phases in the O3 and P3 host structures. We predict that many of the low-energy phases belong to families of Na orderings that follow specific patterns. At high x, we identify families of vacancy row orderings in O3, which may also couple to magnetic orderings of the Cr spins. We predict similar orderings at intermediate x in P3 that contain antiphase boundaries between regions of the x = 1/2 ordering. In both cases, the average spacing between rows/boundaries is set by the overall composition. At x = 0, we find a strong preference for charge disproportionation and migration of Cr to tetrahedral sites in the intercalation layers. Finally, we obtain generally good agreement with experimental observations and rationalize key discrepancies.

25 ENERGY STORAGE↗