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At least 289 records · Page 16

Stresses within rare-earth doped yttria-stabilized zirconia thermal barrier coatings from in-situ synchrotron X-ray diffraction at high temperatures

There is a growing interest for smart coatings that can be integrated into turbine engines for in-situ temperature measurements or health monitoring. The addition of rare-earth dopants into standard thermal barrier ceramic top coat materials is used to obtain luminescent coatings that enable spectral measurements, for real-time temperature or health monitoring. The thermomechanical performance and durability of such novel coating compositions in extreme environments still remains to be evaluated. Consequently, the ability to manufacture sensor coatings which present suitable thermal properties needs to be demonstrated. For this study, highly luminescent erbium and europium doped yttria-stabilized zirconia and state-of-the-art yttria-stabilized zirconia coatings manufactured by air plasma spray were characterized to determine the effects of the embedded rareearth dopants on coating internal strain and stress and to quantify and compare their high temperature response using synchrotron X-ray diffraction. In-situ depth-resolved strain measurements were performed at 15 μm intervals along the depth of the coatings to evaluate materials response at key locations, specifically at layer interfaces. In-plane stress was calculated for the coatings and a finite element model was implemented to supplement the results and enable further predictions. The results show that the sensor coatings that were manufactured in this work revealed only minor variations in the strain response of sensor coatings under a typical thermal cycle and especially at temperatures closer to that of gas turbine operating conditions, compared to state-of-the-art coatings. This work demonstrates the viability of manufacturing rare-earth doped yttria-stabilized zirconia coatings that provide beneficial spectroscopic monitoring capabilities while having minimal impact on the thermomechanical response of the thermal barrier coatings.

Air plasma spray↗

Improved Thermal Stability of Oxysulfide Glassy Solid-State Electrolytes

In this study, the crystallization kinetics of (oxy)sulfide 70Li 2 S·(30-x)P 2 S 5 ·xP 2 O 5 (x = 0, 2, 5) solid-state electrolytes are reported. It was found that 5 mol% P 2 O 5 glass co-former slowed the crystallization rate of the Li 7 P 3 S 11−x/4 O x/4 ceramic phase by a factor of 10. After 10 min at 230 °C, a 70Li 2 S·30P 2 S 5 sulfide glass was 92% devitrified whereas a 70Li 2 S·25P 2 S 5 ·5P 2 O 5 oxysulfide glass was only 8% devitrified. The improved thermal stability of oxysulfide glasses was then utilized to demonstrate the fabrication of a standalone, reinforced SSE separator by hot pressing. More importantly, it was recognized that the microstructure of 70Li 2 S·25P 2 S 5 ·5P 2 O 5 oxysulfide SSE separators could be modified by hot pressing without changing ionic conductivity. This result was achieved because the precipitation of a superionically conductive Li 7 P 3 S 11−x/4 O x/4 ceramic phase was limited. A study was then conducted to determine what effect microstructure has on the susceptibility of SSE separators to shorting by lithium metal penetration. Hot-pressed separators were found to be more susceptible to shorting than cold-pressed separators. X-ray Computer Tomography (XCT) of post-mortem samples showed that hot-pressed samples failed by transverse microcrack pathways, which underscores the importance of low defect density in dense SSE separators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stabilizer Rank Strong Simulation v.0.1

This software improves upon the Clifford gate+T gate magic state strong simulation algorithm by Brayvi and Gosset. It provides a better stabilizer state decomposition that scales as 2^{0.463t}, an improvement over 2^{0.468t}, for t T gate magic states. This code enables simulations of universal quantum computing with that asymptotic scaling cost. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525 SAND2020-14293 O

SciDAC↗

Frequency stabilization of diode-laser-pumped solid state lasers

The goal of the NASA Sunlite program is to fly two diode-laser-pumped solid-state lasers on the space shuttle and while doing so to perform a measurement of their frequency stability and temporal coherence. These measurements will be made by combining the outputs of the two lasers on an optical radiation detector and spectrally analyzing the beat note. Diode-laser-pumped solid-state lasers have several characteristics that will make them useful in space borne experiments. First, this laser has high electrical efficiency. Second, it is of a technology that enables scaling to higher powers in the future. Third, the laser can be made extremely reliable, which is crucial for many space based applications. Fourth, they are frequency and amplitude stable and have high temporal coherence. Diode-laser-pumped solid-state lasers are inherently efficient. Recent results have shown 59 percent slope efficiency for a diode-laser-pumped solid-state laser. As for reliability, the laser proposed should be capable of continuous operation. This is possible because the diode lasers can be remote from the solid state gain medium by coupling through optical fibers. Diode lasers are constructed with optical detectors for monitoring their output power built into their mounting case. A computer can actively monitor the output of each diode laser. If it sees any variation in the output power that might indicate a problem, the computer can turn off that diode laser and turn on a backup diode laser. As for stability requirements, it is now generally believed that any laser can be stabilized if the laser has a frequency actuator capable of tuning the laser frequency as far as it is likely to drift in a measurement time.

Byer, Robert L.↗

Better, Cheaper, Faster Molecular Dynamics

Recent, revolutionary progress in genomics and structural, molecular and cellular biology has created new opportunities for molecular-level computer simulations of biological systems by providing vast amounts of data that require interpretation. These opportunities are further enhanced by the increasing availability of massively parallel computers. For many problems, the method of choice is classical molecular dynamics (iterative solving of Newton's equations of motion). It focuses on two main objectives. One is to calculate the relative stability of different states of the system. A typical problem that has' such an objective is computer-aided drug design. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), "native" state. Perhaps the best example of such a problem is protein folding. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to "quasi non-ergodicity", whereby a part of phase space is inaccessible on time scales of the simulation. To overcome this difficulty and to extend molecular dynamics to "biological" time scales (millisecond or longer) new physical formulations and new algorithmic developments are required. To be efficient they should account for natural limitations of multi-processor computer architecture. I will present work along these lines done in my group. In particular, I will focus on a new approach to calculating the free energies (stability) of different states and to overcoming "the curse of rare events". I will also discuss algorithmic improvements to multiple time step methods and to the treatment of slowly decaying, log-ranged, electrostatic effects.

Pohorille, Andrew↗

Steady-state and transient analysis of a squeeze film damper bearing for rotor stability

A study of the steady-state and transient response of the squeeze film damper bearing is presented. Both the steady-state and transient equations for the hydrodynamic bearing forces are derived. The bearing equivalent stiffness and damping coefficients are determined by steady-state equations. These coefficients are used to find the bearing configuration which will provide the optimum support characteristics based on a stability analysis of the rotor-bearing system. The transient analysis of rotor-bearing systems is performed by coupling the bearing and journal equations and integrating forward in time. The effects of unbalance, cavitation, and retainer springs are included in the analysis. Methods of determining the stability of a rotor-bearing system under the influence of aerodynamic forces and internal shaft friction are discussed with emphasis on solving the system characteristic frequency equation and on producing stability maps. It is shown that for optimum stability and low force transmissability the squeeze bearing should operate at an eccentricity ratio epsilon 0.4.

Barrett, L. E.↗

Unveiling the Role of Lithium Iodide in Stabilizing Solid Interfaces in All-Solid-State Li Metal Batteries

A critical challenge in all-solid-state lithium metal batteries (ASSLMBs) is achieving a stable interface between the lithium metal anode and the solid electrolyte. Leveraging its success in Li/I 2 batteries, lithium iodide has garnered significant attentions for its potential to enhance interfacial stability and overall cell performance in ASSLMBs. Here, we elucidate the role of lithium iodide in stabilizing the solid interface in all-solid-state Li metal batteries with a Li argyrodite electrolyte, particularly focusing on its influence on lithium deposition behavior and interfacial evolution. Through in situ optical imaging, we demonstrate more uniform lithium deposition on an iodide-contained argyrodite electrolyte compared to a chloride-based counterpart. Complementary density functional theory calculations attribute improved lithium plating behavior to the enhanced lithiophilicity and better ionic conductivity of lithium iodide at the solid interface, effectively reducing localized current density. In conclusion, these findings provide useful insights into the mechanisms through which lithium iodide enhances the interfacial stability in ASSLMBs.

Anions↗

Unraveling the Surface Termination and Evolution of Surface States for Electrocatalyst PtSn 4 in Alkaline HER

Semimetal PtSn 4 has been experimentally demonstrated as a promising topological electrocatalyst for the hydrogen evolution reaction (HER) under both acidic and alkaline conditions. While two possible mechanisms have been proposed to explain its activity, the role of its surface states in HER remains unclear. It is indeed in question how the surface states of this alloy evolve as HER proceeds. In this study, we investigate the surface termination that sustains conducting surface states on PtSn 4 , and we track their evolution during HER catalysis. We show that a reconstructed surface with a Sn-poor termination reproduces the scanning tunneling microscopy pattern observed in experiments and sustains a conducting surface. Through phase diagram and geometric structure analysis, we outline the HER profile following the Volmer–Heyrovsky mechanism. As hydrogen atoms adsorb onto the surface, the structure undergoes further reconstruction to an equilibrium phase with a coverage of two hydrides per unit cell. Meanwhile, the surface electronic bands evolve in response to interactions with the adsorbed hydrogen atoms. A hybridization diagram is further proposed for understanding the surface state evolution based on wave function and chemical bonding analyses. While the Pt atoms serve as conventional sites for hydrogen binding, the surface states of PtSn 4 are essential for stabilizing the hydrogen antibonding states via in-phase electronic interactions with the Sn components. This stabilization results in frontier surface bands that are responsible for driving the HER catalysis. Here, our findings provide a detailed description for the direct involvement of surface states on PtSn4 when employed as a catalyst for HER.

catalysts↗

Effect of steady state coning angle and damping on whirl flutter stability

The main object of this investigation is to find the effect of the steady state coning angle and the damping at the flapping hinge of the blades on the whirl flutter stability boundary and thus to determine the role they can play in narrowing down the gap between theory and experiment. The governing equations of motion, with these two parameters included are derived by the classical Lagrangian approach using quasi-steady blade element theory for aerodynamic forces. A linearized analysis of these equations is applied to two of the wind tunnel models of the previous investigations. The results indicate that these parameters have a marked effect on stability boundary and they may even change the mode of flutter from backward whirl to forward whirl.

Kaza, K. R. V.↗

Aeroelastic stability and response of horizontal axis wind turbine blades

Coupled flap-lag-torsion equations of motion of an isolated horizontal axis wind turbine (HAWT) blade have been formulated. The analysis neglects blade-tower coupling. The final nonlinear equations have periodic coefficients. A new and convenient method of generating an appropriate time-dependent equilibrium position, required for the stability analysis, has been implemented and found to be computationally efficient. Steady-state response and stability boundaries for an existing (typical) HAWT blade are presented. Such stability boundaries have never been published in the literature. The results show that the isolated blade under study is basically stable. The tower shadow (wake) has a considerable effect on the out-of-plane response but leaves blade stability unchanged. Nonlinear terms can significantly affect linearized stability boundaries; however, they have a negligible effect on response, thus implying that a time-dependent equilibrium position (or steady-state response), based completely on the linear system, is appropriate for the type of HAWT blades under study.

Kottapalli, S. B. R.↗

Crosslinked Polyethyleneimine Gel Polymer Interface to Improve Cycling Stability of RFBs

Redox flow batteries are considered a promising technology for grid energy storage. However, capacity decay caused by crossover of active materials is a universal challenge for many flow battery systems, which are based on various chemistries. In this paper, using the vanadium redox flow battery as an example, we demonstrate a new gel polymer interface (GPI) consisting of crosslinked polyethyleneimine with a large amount of amino and carboxylic acid groups introduced between the positive electrode and the membrane. The GPI functions as a key component to prevent vanadium ions from crossing the membrane, thus supporting stable long-term cycling. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) measurements were conducted to investigate the effect of GPI on the electrochemical properties of graphitic carbon electrodes (GCFs) and redox reaction of catholyte. X-ray photoelectron spectroscopy (XPS) and 1 H nuclear magnetic resonance (NMR) spectra demonstrated that the crosslinked GPI is chemically stable for 100 cycles without dissolution of polymers and swelling in the strong acidic electrolytes. Results from inductively coupled plasma mass spectrometry (ICP-MS), Fourier-transform infrared (FTIR) spectroscopy, and energy-dispersive X-ray (EDX) spectroscopy proved that the GPI is effective in maintaining the concentration of vanadium species in their respective half-cells, resulting in improved cycling stability because of it prevents active species from crossing the membrane and stabilizes the oxidation states of active species.

Lim, Hyung-Seok↗

High temperature stability and transport characteristics of hydrogen in alumina via multiscale computation

Here, the impact of hydrogen charge states on the stability and transport characteristics of hydrogen interstitials in alumina polymorphs is evaluated by multiscale computational methods including density functional theory (DFT), ab initio molecular dynamics (AIMD) and machine learned force fields. Thermodynamic calculations show that the protonic H i +1 interstitial is the most stable defect species for most values of the electronic bandgap in both and amorphous alumina (Al 2 O 3 ). Further, active learned Gaussian approximation potentials (GAP) were developed using AIMD data to study temperature dependent long time proton diffusion in alumina. Diffusivity calculations from GAP-MD simulations are found to be comparable with of the AIMD data, while being ~340 times faster and scalable to larger systems. Comparisons with diffusivity values for other interstitial charge states (H i 0 and H i -1 ) and published experimental literature indicate that H i +1 diffusion is the likely mechanism of hydrogen transport. A good agreement is obtained between H i +1 diffusivity calculated in α-Al 2 O 3 from DFT: 5.05 10 -3 exp(-0.81 eV/k B /T) cm 2 /s and reported experiment: 9.7X10 -4 exp(-0.83 eV/k B /T) cm 2 /s. Computationally and experimentally calculated energy barriers (0.81 and 0.83 eV respectively) only differ by 2.5%. Similarly, the pre-exponential diffusion coefficients only differ by 0.5 orders of magnitude. Moreover, the diffusivity of H i +1 in amorphous Al 2 O 3 in the 1000–2000 K range is calculated to be 2.53X10 -2 exp(-0.89 eV/k B /T), just one order of magnitude higher than the corresponding value in α-Al 2 O 3 . This suggests that local structural disorder does not significantly affect the energy landscape and diffusion behavior of H i +1 in Al 2 O 3 . Overall, these results show promise for the application of alumina polymorphs as hydrogen permeation barriers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Controlling Chaotic Lasers

Irregular fluctuations in intensity have long plagued the operation of a wide variety of solid-state lasers. We are exploring the possibility of exploiting rather than avoiding a laser's chaotic output. As an important step in that direction, we have applied a novel control technique to stabilize a solid state laser. By making small periodic changes in only one input parameter of the laser, we are able to stabilize complex periodic waveforms and steady state behavior in the laser output. We demonstrate the application of this approach in a diode pumped Nd:/YAG laser system.

Gills, Zelda↗

Combustion Stability Assessments of the Black Brant Solid Rocket Motor

The Black Brant variation of the Standard Brant developed in the 1960's has been a workhorse motor of the NASA Sounding Rocket Project Office (SRPO) since the 1970's. In March 2012, the Black Brant Mk1 used on mission 36.277 experienced combustion instability during a flight at White Sands Missile Range, the third event in the last four years, the first occurring in November, 2009, the second in April 2010. After the 2010 event the program has been increasing the motor's throat diameter post-delivery with the goal of lowering the chamber pressure and increasing the margin against combustion instability. During the most recent combustion instability event, the vibrations exceeded the qualification levels for the Flight Termination System. The present study utilizes data generated from T-burner testing of multiple Black Brant propellants at the Naval Air Warfare Center at China Lake, to improve the combustion stability predictions for the Black Brant Mk1 and to generate new predictions for the Mk2. Three unique one dimensional (1-D) stability models were generated, representing distinct Black Brant flights, two of which experienced instabilities. The individual models allowed for comparison of stability characteristics between various nozzle configurations. A long standing "rule of thumb" states that increased stability margin is gained by increasing the throat diameter. In contradiction to this experience based rule, the analysis shows that little or no margin is gained from a larger throat diameter. The present analysis demonstrates competing effects resulting from an increased throat diameter accompanying a large response function. As is expected, more acoustic energy was expelled through the nozzle, but conversely more acoustic energy was generated due to larger gas velocities near the propellant surfaces.

Fischbach, Sean↗

Surface triggered stabilization of metastable charge-ordered phase in SrTiO 3

Charge ordering (CO), characterized by a periodic modulation of electron density and lattice distortion, has been a fundamental topic in condensed matter physics, serving as a potential platform for inducing novel functional properties. The charge-ordered phase is known to occur in a doped system with high d-electron occupancy, rather than low occupancy. Here, we report the realization of the charge-ordered phase in electron-doped (100) SrTiO 3 epitaxial thin films that have the lowest d-electron occupancy i.e., d 1 -d 0 . Theoretical calculation predicts the presence of a metastable CO state in the bulk state of electron-doped SrTiO 3 . Atomic scale analysis reveals that (100) surface distortion favors electron-lattice coupling for the charge-ordered state, and triggering the stabilization of the CO phase from a correlated metal state. This stabilization extends up to six unit cells from the top surface to the interior. Our approach offers an insight into the means of stabilizing a new phase of matter, extending CO phase to the lowest electron occupancy and encompassing a wide range of 3d transition metal oxides.

36 MATERIALS SCIENCE↗

Orbiter Boundary Layer Transition Stability Modeling at Flight Entry Conditions

State of the art boundary layer stability modeling capabilities are increasingly seeing application to entry flight vehicles. With the advent of user friendly and robust implementations of two-dimensional chemical nonequilibrium stability modeling with the STABL/PSE-CHEM software, the need for flight data to calibrate such analyses capabilities becomes more critical. Recent efforts to perform entry flight testing with the Orbiter geometry related to entry aerothermodynamics and boundary layer transition is allowing for a heightened focus on the Orbiter configuration. A significant advancement in the state of the art can likely be achieved by establishing a basis of understanding for the occurrence of boundary layer transition on the Orbiter due to discrete protruding gap fillers and the nominal distributed roughness of the actual thermal protection system. Recent success in demonstrating centerline two-dimensional stability modeling on the centerline of the Orbiter at flight entry conditions provides a starting point for additional investigations. The more detailed paper will include smooth Orbiter configuration boundary layer stability results for several typical orbiter entry conditions. In addition, the numerical modeling approach for establishing the mean laminar flow will be reviewed and the method for determining boundary layer disturbance growth will be overviewed. In addition, if actual Orbiter TPS surface data obtained via digital surface scans become available, it may be possible to investigate the effects of an as-flown flight configuration on boundary layer transition compared to a smooth CAD reference.

Bartkowicz, Matt↗

Coupling Anionic Oxygen Redox with Selenium for Stable High‐Voltage Sodium Layered Oxide Cathodes

Utilizing anion redox reaction is crucial for developing the next generation of high-energy density, low-cost sodium-ion batteries. However, the irreversible oxygen redox reaction in Na-ion layered cathodes, which leads to voltage fading and reduced overall lifespan, has hindered their practical application. In this study, selenium is incorporated as a synergistic redox active center of oxygen to improve the stability of Na-ion cathodes. The redesigned cathode maintains stable voltage by demonstrating reversible oxygen redox while significantly suppressing the redox activity of manganese. The anionic redox contribution capacity of the selenium-doped Na 0.6 Li 0.2 Mn 0.8 O 2 cathode remains as high as 84% after 50 cycles, while the pristine Na 0.6 Li 0.2 Mn 0.8 O 2 cathode experiences a reduction to 39% of its initial capacity. The X-ray photoelectron spectroscopy data and computational analysis further revealed that selenium doping participates in redox as Se +4/5 which stabilizes the charged state and increases the energy step for O─O dimerization, thus improving the stability and lifespan of Na 0.6 Li 0.2 Mn 0.8 O 2 cathodes. In conclusion, the findings highlight the potential of redox coupling design to address the issue of voltage fade caused by irreversible anionic redox.

25 ENERGY STORAGE↗