Optimization of nonatitanate electrodes for sodium-ion batteries
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99 GENERAL AND MISCELLANEOUS↗
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Half-Integer Conductance Plateau at the ν = 2 / 3 Fractional Quantum Hall State in a Quantum Point Contact
The v = 2/3 fractional quantum Hall state is the hole-conjugate state to the primary Laughlin v = 1/3 state. Here, we investigate transmission of edge states through quantum point contacts fabricated on a GaAs/AlGaAs heterostructure designed to have a sharp confining potential. When a small but finite bias is applied, we observe an intermediate conductance plateau with G = 0.5(e 2 /ℎ). This plateau is observed in multiple QPCs, and persists over a significant range of magnetic field, gate voltage, and source-drain bias, making it a robust feature. Using a simple model that considers scattering and equilibration between counterflowing charged edge modes, we find this half-integer quantized plateau to be consistent with full reflection of an inner counterpropagating -1/3 edge mode while the outer integer mode is fully transmitted. In a QPC fabricated on a different heterostructure which has a softer confining potential, we instead observe an intermediate conductance plateau at G = (1/3)(e 2 /ℎ). These results provide support for a model at v = 2/3 in which the edge transitions from a structure having an inner upstream -1/3 charge mode and outer downstream integer mode to a structure with two downstream 1/3 charge modes when the confining potential is tuned from sharp to soft and disorder prevails.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Specific ion effects on ion transport in charged polymer membranes
Selective separation of like-charged ions is a central challenge in applications such as critical mineral recovery. Electrochemical membrane–based separations offer promising pathways to address this need, but a limited fundamental understanding of ion transport in charged polymer membranes hampers the development of highly selective materials. This study elucidates the role of specific ion effects (SIEs) in ion transport through charged polymer membranes by integrating experimental measurements of ion mobility and in situ ion/ion and ion/water interactions in model charged polymer membranes with results from molecular dynamics simulations on analogous systems. We demonstrate that solvent-mediated ion interactions drive pronounced SIEs within the studied membranes, with the ion softness, i.e., the malleability of ion hydration shells, from hard/soft acid/base (HSAB) theory emerging as a key predictor of transport properties. HSAB theory also explains the observed mechanism of solvent-mediated ion interactions. Our findings offer a mechanistic framework for designing membranes with tailored ion selectivity, potentially enabling efficient separations of chemically similar ions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Kinetic Space Weather: Toward a Global Hybrid Model of the Polar Ionosphere-Lower Magnetosphere Plasma Transport
During the indicated period of performance, we had a number of publications concerned with kinetic polar ionosphere-lower magnetosphere plasma transport. For the IUGG 1991-4 Quadrennial Report, we reviewed aspects of U.S. accomplishments concerned with polar plasma transport, among other issues. In another review, we examined the computer simulations of multiple-scale processes in space plasmas, including polar plasma outflow and transport. We also examined specifically multiscale processes in ionospheric outflows. We developed a Generalized Semi-Kinetic(GSK) model for the topside-lower magnetosphere which explored the synergistic action of wave heating and electric potentials in the formation of auroral Ion conics, in particular the "pressure cooker" mechanism. We extended the GSK model all the way down to 120 km and applied this code to illustrate the response of the ionosphere- magnetosphere to soft-electron precipitation and convection-driven frictional ion heating, respectively. Later, the convection-driven heating work was extended to a paper for the Journal of Geophysical Research. In addition to the above full published papers, we also presented the first developments of the coupled fluid-semikinetic model for polar plasma transport during this period. The results from a steady-state treatment were presented, with the second presentation being concerned with the effects of photo-electrons on the polar wind, and the first garnering an outstanding student paper award from the American Geophysical Union. We presented the first results from a time-dependent version of this coupled fluid-semikinetic model.
Horwitz, James L.↗
Tensile Properties of Hydrogels and of Snake Skin
Stimulus-responsive or 'smart' gels are of potential interest as sensors and actuators, in industrial separations, and as permeable delivery systems. In most applications, a certain degree of mechanical strength and toughness will be required, yet the large-strain behavior of gels has not been widely reported. Some exceptions include work on gelatin and other food gels, some characterization of soft gels applicable for in-vitro cell growth studies, and toughness determinations on commercial contact lens materials. In general, it can be anticipated that the gel stiffness will increase with increasing degree of crosslinking, but the tensile strength may go through a maximum. Gel properties can be tailored by varying not only the degree of crosslinking, but also the polymer concentration and the nature of the polymer backbone (e.g. its stiffness or solubility). Polypeptides provide an especially interesting case, where secondary structure affects trends in moduli and conformational transitions may accompany phase changes. A few papers on the tensile properties of responsive gels have begun to appear. The responsive hydrogel chosen for the present study, crosslinked hydroxypropylcellulose, shrinks over a rather narrow temperature range near 44 C. Some vertebrate skin is also subject to substantial strain. Among reptiles, the morphologies of the skin and scales show wide variations. Bauer et al. described the mechanical properties and histology of gecko skin; longitudinal tensile properties of snake skin were examined by Jayne with reference to locomotion. The present measurements focus on adaptations related to feeding, including the response of the skin to circumferential tension. Tensile properties will be related to interspecific and regional variation in skin structure and folding.
Hinkley, Jeffrey A.↗
Understanding Reentrance in Frustrated Magnets: The Case of the Er 2 Sn 2 O 7 Pyrochlore
Reentrance, the return of a system from an ordered phase to a previously encountered less-ordered one as a controlled parameter is continuously varied, is a recurring theme found in disparate physical systems, yet its microscopic cause is often not investigated thoroughly. Here, through detailed characterization and theoretical modeling, we uncover the microscopic mechanism behind reentrance in the strongly frustrated pyrochlore antiferromagnet Er 2 Sn 2 O 7 . We use single crystal heat capacity measurements to expose that Er 2 Sn 2 O 7 exhibits multiple instances of reentrance in its magnetic field B vs temperature T phase diagram for magnetic fields along three cubic high symmetry directions. Through classical Monte Carlo simulations, mean field theory, and classical linear spin-wave expansions, we argue that the origins of the multiple occurrences of reentrance observed in Er 2 Sn 2 O 7 are linked to soft modes. These soft modes arise from phase competition and enhance thermal fluctuations that entropically stabilize a specific ordered phase, resulting in an increased transition temperature for certain field values and thus the reentrant behavior. Our work represents a detailed examination into the mechanisms responsible for reentrance in a frustrated magnet and may serve as a template for the interpretation of reentrant phenomena in other physical systems.
36 MATERIALS SCIENCE↗
Dynamic Tensile Response of a Fe–49Co–2V Alloy at Various Strain Rates and Temperatures
Soft ferromagnetic alloys are often utilized in electromagnetic applications due to their desirable magnetic properties. In support of these applications, the ferromagnetic alloys are also required to bear mechanical load under various loading and environmental conditions. In this study, a Fe–49Co–2V alloy was dynamically characterized in tension with a Kolsky tension bar and a Drop–Hopkinson bar at various strain rates and temperatures. Dynamic tensile stress–strain curves of the Fe–49Co–2V alloy were obtained at strain rates ranging from 40 to 230 s -1 and temperatures from - 100 to 100 °C. All dynamic tensile stress–strain curves exhibited an initial linear elastic response to an upper yield followed by Lüders band response and then a nearly linear work-hardening behavior. The yield strength of this material was found to be sensitive to both strain rate and temperature, whereas the hardening rate was independent of strain rate or temperature. The Fe–49Co–2V alloy exhibited a feature of brittle fracture in tension under dynamic loading with no necking being observed.
36 MATERIALS SCIENCE↗
Reverse order-disorder transition of Janus particles confined in two dimensions
In this study Janus particles with different patch sizes, confined to two dimensions, generate a series of patterns of interest to the field of nanoscience. Here we observe reverse melting, where for some densities the system melts under cooling. For a broad range of hydrophobic patch sizes ( 60° < θ 0 < 90°), a reentrant transition from solid to liquid and then to an ordered phase emerges as temperature (T) decreases due to the formation of rhombus chains at low T. This reentrant phase has pseudo long-range orientational order but short-range translational order, similar to a hexatic phase. Our work provides guidelines to study the melting and assembly of Janus particles in two dimensions, as well as mechanisms to generate phases with specific symmetry.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Autonomous self-repair in piezoelectric molecular crystals
Living tissue uses stress-accumulated electrical charge to close wounds. Self-repairing synthetic materials, which are typically soft and amorphous, usually require external stimuli, prolonged physical contact, and long healing times. We overcome many of these limitations in piezoelectric bipyrazole organic crystals, which recombine following mechanical fracture without any external direction, autonomously self-healing in milliseconds with crystallographic precision. Kelvin probe force microscopy, birefringence experiments, and atomic-resolution structural studies reveal that these noncentrosymmetric crystals, with a combination of hydrogen bonds and dispersive interactions, develop large stress-induced opposite electrical charges on fracture surfaces, prompting an electrostatically driven precise recombination of the pieces via diffusionless self-healing.
Bhunia, Surojit↗
Multidisciplinary Design Optimization for Aeropropulsion Engines and Solid Modeling/Animation via the Integrated Forced Methods
The grant closure report is organized in the following four chapters: Chapter describes the two research areas Design optimization and Solid mechanics. Ten journal publications are listed in the second chapter. Five highlights is the subject matter of chapter three. CHAPTER 1. The Design Optimization Test Bed CometBoards. CHAPTER 2. Solid Mechanics: Integrated Force Method of Analysis. CHAPTER 3. Five Highlights: Neural Network and Regression Methods Demonstrated in the Design Optimization of a Subsonic Aircraft. Neural Network and Regression Soft Model Extended for PX-300 Aircraft Engine. Engine with Regression and Neural Network Approximators Designed. Cascade Optimization Strategy with Neural network and Regression Approximations Demonstrated on a Preliminary Aircraft Engine Design. Neural Network and Regression Approximations Used in Aircraft Design.
Source record↗
Flight Mechanics Modeling and Simulation of the Earth Entry System
Introduction: The Mars Sample Return (MSR) Campaign being planned by NASA and ESA has the ambitious goal to return Mars samples back to Earth. This international collaboration had developed a concept of operations that included a ESA-designed Earth Return Orbiter (ERO) and NASA-designed Capture, Containment, and Return System (CCRS). The Earth Entry System (EES), consisting of a protective aeroshell that houses the samples as well as sample containment vessels, would conduct entry, descent, and landing (EDL) on a direct Earth trajectory. The EES would enter on a spin-stabilized ballistic trajectory with the goal to passively achieve aerodynamic stability throughout all regions of flight. The EDL sequence would end with the EES impacting the soft playa soil of the Utah Test and Training Range (UTTR). As of the submission of this abstract, the MSR campaign is undergoing a re-architecture leading to a pause in EES development. However, the novel approaches developed in flight mechanics modeling and simulation can significantly benefit the greater IPPW community in the development of Earth return vehicles. This paper will present the latest state of EES flight mechanics modeling and simulation. The paper will highlight the simulation architecture developed and key lessons learned from understanding of EDL trajectory sensitivities. Modeling and Simulation: Figure 1 provides a high-level concept of operations for the approach, entry, descent, and landing (AEDL) phase of the CCRS-portion of MSR. The objective of EES flight mechanics is to model and simulate the EES trajectory from ERO separation to ground impact at UTTR. A variety of flight mechanics simulation models were utilized to model both exo-atmopsheric and atmospheric portions of flight. 42, a 6-DOF simulation developed at Goddard Space Flight Center, is utilized for propagating the attitude of EES during exo-atmospheric flight. 42 allows for a variety of spin eject mechanism scenarios to be simulated for analysis. 10 minutes prior to entry, the 42 states are handed off to the EDL sims. The prime EDL sim utilized by EES is the Program to Optimize Simulated Trajectories II (POST2), a 6-DOF sim developed at Langley Research Center, and the independent verification and validation EDL sim utilized is DSENDS, a 6-DOF sim developed at Jet Propulsion Laboratory. Figure 2 provides a visualization of the flight mechanics simulation model flow through various points in the AEDL phase. Due to the existence of a variety of sim models, the EES flight mechanics team developed processes for data hand-off. These processes included the development of a centralized coordinate frame document, utilization of a single, centralized simulation input document for all sims to reference, and hand-off files containing both the technical data to be ingested by other flight mechanics sims as well as annotations of modeling assumptions utilized to generate the data. Figure~\ref{fig:post2simarchitecture} provides an overview of the POST2 sim architecture wherein POST2 ingests numerous subsystem models and input files. The dispersed state file generated by MONTE provides the position/velocity state of the trajectory while the 42 Handoff file provides the attitude. The aerodynamics database, delivered by the EES aeroscience team, is utilized to simulate the aerodynamic forces and moments experienced during EDL. A custom atmosphere model, developed by EES atmosphere team, is utilized to simulate the anticipated atmosphere environment around the region of Earth through which the EES trajectory flys. These inputs and subsystem models can be varied depending on the AEDL flight mechanics scenario being simulated. Monte Carlo simulations are utilized to generate statistical AEDL performance metrics in the form of scorecards and violin plots. Furthermore, outputs from the POST2 simulation are utilized for follow-on analyses including aerothermal and landing performance. \section{Flight Mechanics Lessons Learned} Though the EES flight mechanics team uncovered a variety of lessons learned through the analysis conducted to support CCRS through preliminary design review, this paper will highlight the most important lessons. A key AEDL performance goal is to ensure the landing footprint of EES remains on the UTTR south range. A common modeling strategy used in EDL analysis is One-Variable-At-a-Time (OVAT). OVAT analysis provides insight into the key drivers that affect AEDL performance metrics. Figure 3 shows the landing ellipses for single dispersion sources as compared to the baseline aggregate of all dispersions. The figure shows that atmosphere winds alone dominate the size of the footprint ellipse (note: EES does not use a parachute unlike previous Earth-return missions and is in wind-driven free fall for ~5min). The significance of the wind led the EES flight mechanics team to pursue the development of a Custom Atmosphere Model [4], in lieu of EarthGRAM [1], built on actual radiosonde wind measurements around the UTTR-region. This decision was driven by the realism in the generated footprint ellipses and lessons-learned from Stardust [5]. These findings will be invaluable for future Earth-return missions in providing an early understanding of the key drivers affecting footprint size and modeling considerations for which to account. Another lesson learned is tied to the AEDL performance goal of achieving passive stability throughout all regions of flight. It is well understood that blunt-body aeroshells are less stable as they transition from supersonic to subsonic. Eliminating a backshell does help improvestability; however, other phenomena such as roll-induced instability during terminal descent can still arise. The EES flight mechanics team developed stability metrics as tools to better understand the causes of and better predict the onset of dynamic instability. These tools were built upon analytical models developed by Jaffe [3] and Murphy [2]. The tools were shown to both be very accurate in correlation with actual unstable cases and useful in developing stability margin policies based on the vehicle design and simulation considerations (e.g. sphere-cone angle change, mass change, wind turbulence). These tools allowed for the current EES design to demonstrate the ability to achieve passive stability and can be an invaluable tool for consideration in the design of parachute-less Earth-return vehicles.
Rohan Deshmukh↗
On-shell derivation of the soft effective action in Abelian gauge theories
We derive the soft effective action in (d+2)-dimensional Abelian gauge theories from the on-shell action obeying Neumann boundary conditions at timelike and null infinity and Dirichlet boundary conditions at spatial infinity. This allows us to identify the on-shell degrees of freedom on the boundary with the soft modes living on the celestial sphere. Following the work of Donnelly and Wall, this suggests that we can interpret soft modes as entanglement edge modes on the celestial sphere and study entanglement properties of soft modes in Abelian gauge theories.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Generating Electricity with Hydraulically Amplified Self-Healing Electrostatic (HASEL) Transducers
This study identifies hydraulically amplified self-healing electrostatic (HASEL) transducers as electricity generators, contrary to their conventional role as actuators. HASELs are soft, variable-capacitance transducers inspired by biological muscles which were developed to mimic the flexibility and functionality of natural muscle tissues. This research characterizes HASELs as generators by reversing their energy conversion mechanism—generating electricity through mechanical deformation. The study assesses the practical laboratory performance of HASELs by analytic modeling and experimental evaluation. Outcomes of the study include the following: (i) up to 2.5 mJ per cycle per 50 mm wide HASEL pouch of positive net energy generation in experimental testing—corresponding to an energy density of 2.0 mJ cm−3; (ii) a maximum theoretical energy density of 4.2 mJ cm−3; (iii) the electromechanical characteristics governing efficient conversion; and (iv) design considerations to enhance HASEL generator performance in future applications. This study broadens HASEL’s applicability and utility as a multi-functional transducer for renewable energy and general adaptive electricity generation.
13 HYDRO ENERGY↗
Structural and Interphasial Stabilities of Sulfurized Polyacrylonitrile (SPAN) Cathode
Sulfurized polyacrylonitrile (SPAN) has attracted a lot of attention because of its low cost, high capacity, and great reversibility. Due to its structural complexity and amorphous nature, reaction mechanism of SPAN is little understood. Here, for this paper, we study the structural and interphasial changes of SPAN using synchrotron-based pair distribution function (PDF) analysis and soft X-ray absorption spectroscopy (sXAS). PDF identifies key structural features, including C–S bond, sulfur dimer, and sulfur chain in SPAN. The sulfur dimer bridging the pyridine network partially converts to sulfur chain during the first charging. In the following cycles, sulfur chain goes through lithiation and delithiation with reversibility dependent on the electrolytes. SXAS reveals surface changes of SPAN. After the first cycle, a negatively charged carbon or fused benzene layer is formed, on top of which is another layer formed by the electrolyte decomposition. The layer formed by localized high concentration electrolyte is stable during cycling.
25 ENERGY STORAGE↗
Optical phonon dominated heat transport: A first-principles thermal conductivity study of BaSn 2
Acoustic phonons with long mean free paths have long been believed to control the lattice thermal conductivity κ L in solids dominantly. In this study, however, we demonstrate an optical phonon dominated κ L in BaSnS 2 . By solving the Peierls-Boltzmann transport equation, we predict a low diagonal lattice thermal conductivity κ L (D) of 0.34 W m -1 K -1 at 850 K, which is less than half the κ L (D) of SnS at the same temperature. Further calculations following the Allen-Feldman model suggest the additional off-diagonal lattice thermal conductivity κ L (OD) contributed by wavelike tunneling phonons. The κ L (OD) becomes pronounced at the high temperature ( 0.17 W m -1 K -1 at 850 K) and leads to a deviation of the temperature dependence of κ L from T -1 to T -0.76 , suggesting the potential lattice anharmonicity in BaSnS 2 . Further analyses indicate BaSnS 2 has over 68% of κ L contributed by optical phonons. We show this uncommon optical phonon dominated κ L is due to the relatively high group velocities of optical phonons in BaSnS 2 . The phonon mode visualization suggests these relatively high-velocity optical phonons correspond to the antiphase vibrations in BaSnS 2 monolayers, which is originated from the unique permutation of SnS 3 tetrahedra. Finally, by investigating the mode-resolved group velocity, relaxation time, and Grüneisen parameter, we attribute the intrinsic low κ L of BaSnS 2 to the soft lattice and the relatively high lattice anharmonicity induced by the Ba-S weak bonding and Sn(II) lone-pair electrons. Our study explicitly analyzes the microscopic mechanism of optical phonon dominated heat transport in BaSnS 2 and suggests it worthy of further experimental studies as an intrinsic low-κ L material.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Polymeric multimaterials by photochemical patterning of crystallinity
An organized combination of stiff and elastic domains within a single material can synergistically tailor bulk mechanical properties. However, synthetic methods to achieve such sophisticated architectures remain elusive. We report a rapid, facile, and environmentally benign method to pattern strong and stiff semicrystalline phases within soft and elastic matrices using stereo-controlled ring-opening metathesis polymerization of an industrial monomer, cis -cyclooctene. Dual polymerization catalysis dictates polyolefin backbone chemistry, which enables patterning of compositionally uniform materials with seamless stiff and elastic interfaces. Visible light–induced activation of a metathesis catalyst results in the formation of semicrystalline trans polyoctenamer rubber, outcompeting the formation of cis polyoctenamer rubber, which occurs at room temperature. This bottom-up approach provides a method for manufacturing polymeric materials with promising applications in soft optoelectronics and robotics.
Science & Technology - Other Topics↗
OSO-8 observations of the impulsive phase of solar flares in the transition-zone and corona
Several solar flares were observed from their onset in C IV 1548.2 A and 1-8 A X-rays using instruments on OSO-8. It is found that impulsive brightening in C IV is often accompanied by redshifts, interpreted as downflows, of the order of 80 km/s. The maximum soft X-ray intensity usually arrives several minutes after the maximum C IV intensity. The most energetic C IV event observed shows a small blueshift just before reaching maximum intensity; estimates of the mass flux associated with this upflow through the transition zone are consistent with the increase of mass in the coronal loops as observed in soft X-rays. Finally, it is suggested that the frequent occurrence of violent dynamical processes at the onset of the flare is associated with the initial energy release mechanism.
Lites, B. W.↗
The plasma and magnetic field properties of coronal loops observed at high spatial resolution
Two data sets are analyzed in order to improve understanding of the plasma and magnetic field properties of active region coronal loops. Each set consists of coaligned, high spatial resolution soft X-ray, microwave, and magnetogram images that are used to compare observations of coronal loops and their feet in the photosphere and to constrain possible microwave emission mechanisms. The loops are found to have plasma parameters typical of quiescent active region loops. Each loop has a compact microwave source with peak brightness temperature T(b) = 1-2.5 x 10 to the 6th K cospatial with or near the loop apex. No complete loops are imaged in microwaves. The loop emission observed at 4.9 GHz is best described by fourth harmonic gyroresonance emission from a dipole loop model, but with less field variation along the loop than in the models of Holman and Kundu (1985).
Webb, D. F.↗