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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Complex-Concentrated Anion Doping Enables Ultra-Stable Lattice Oxygen and Structural Integrity in Lithium-Rich Layered Oxide Cathodes

Lithium- and manganese-rich layered oxides (LMR) stand out as next-generation lithium-ion cathode chemistries, which harness both transition-metal and lattice-oxygen redox processes to deliver exceptional capacity and energy density. However, their full potential is hindered by intrinsic oxygen instability and structural degradation, resulting in pronounced voltage fade and capacity decay. Here, we present a complex-concentrated anion-doping paradigm in which multiple anions, F, Br, and S, are incorporated into the oxygen sublattice to enhance oxygen-redox and structural stability. X-ray absorption spectroscopy and aberration-corrected scanning transmission electron microscopy confirm ultra-stable local oxygen coordination environments during long-term cycling, with detrimental phase transformations and oxygen-loss-induced cavitation dramatically inhibited. Notably, we show that the characteristic LiTM6 transition metal (TM) honeycomb ordering is preserved even after electrochemical cycling. Concurrently, this strategy yields an unprecedented volume change of only 0.63% upon charging to 4.8 V vs. Li+/Li, achieving the first zero-strain LMR cathode. The resulting LMR cathode delivers ultralow voltage fade (1 mV per cycle during the first 100 cycles and becomes negligible in subsequent cycles) and outstanding energy retention (93% after 200 cycles) in a pouch cell configuration. Our complex-concentrated anion-doping concept establishes a broadly applicable strategy for resolving chemo-mechanical failure mechanisms in ceramic intercalation electrodes for next-generation energy storage.

Li-ion batteries↗

Atomic Structure, Dynamics, Changes in Chemical Bonding and Semiconductor-Metal Transition in Sb 2 Se 3 : A Remarkable Material for Quantum Networks and Energy Applications

Antimony sesquiselenide has become an outstanding functional material for photovoltaics, energy storage and transformation, memory and photonic applications. Sb 2 Se 3 is one of the most successful emerging solar light absorbers and has also been identified as a highly promising ultralow-loss phase-change material (PCM) for next-generation coherent nanophotonic processors, photonic tensor cores, quantum and neuromorphic networks. Unlike benchmark telluride PCMs, Sb 2 Se 3 features a quasi-one-dimensional (1D) crystalline structure consisting of (Sb 4 Se 6 ) ∞ ribbons, lacks the typical PCM chemical bonding, and undergoes an extended semiconductor-metal transition above the melting point. Consequently, the origin of high optical contrast between crystalline (SET) and amorphous (RESET) logic states remains elusive and presents a significant challenge. Using high-energy X-ray diffraction and Raman spectroscopy over a wide temperature range, supported by first-principles simulations and complemented by thermal, optical and electrical measurements, as well as by 121 Sb-Mossbauer spectroscopy, the quasi-1D network of orthorhombic antimony sesquiselenide was found to undergo significant evolution in amorphous and supercooled Sb 2 Se 3 , leading to lower coordination, shorter interatomic distances and a higher p-electron density on antimony, indicating changes in chemical bonding. The observed novel Sb 2 Se 3 nanocrystalline polymorph, characterized by trigonal antimony coordination and more isolated Sb-Se ribbons, could help reduce multiple trapping defect states in the bandgap, which are typical of orthorhombic Sb 2 Se 3 , thereby enhancing the power-conversion efficiency of photovoltaic devices. Semimetallic and metallic liquid Sb 2 Se 3 exhibit a gradual transformation into a denser 2D and/or 3D network with higher antimony coordination. Localized electron states in the pseudogap are becoming extended, leading to an increase in electronic conductivity σ following the relationship σ ∝ N(E F ) 2 . Liquid Sb 2 Se 3 also appears to be strongly fragile, with a nonmonotonic change in viscosity and higher atomic mobility in the metallic liquid. Furthermore, these results explain extraordinary functionalities of Sb 2 Se 3 for photonic and energy applications.

antimony↗

Curled-Skewed Wakes behind Yawed Wind Turbines Subject to Veered Inflow

This work presents a new engineering analytical model that predicts the effect of both the turbine yaw misalignment and the inflow wind veer on the wake flow distribution downwind of a wind turbine. To consider the veered inflow, two methods were examined. In the first method, the curled shape of the wake due to the yaw offset is initially modelled. The wake shape is then laterally skewed at each height due to the wind veer based on the assumption that the turbine wake is transported downstream by the incoming flow. The second method is a more realistic approach that accounts for the effect of wind veer on the wind velocity direction and the yaw angle seen by the wind turbine. This models the wake region in a local coordinate system defined based on the wind direction at each height. A coordinate transformation is then performed to represent the wake flow distribution in the global coordinate system attached to the ground. The results show that while the two methods provide similar outputs for small variations in the wind direction across the rotor, the difference becomes more evident with an increase in wind veer. High-fidelity simulations for a turbine subject to a neutral atmospheric boundary layer were employed to validate model predictions for different operating conditions.

17 WIND ENERGY↗

Three dimensional supersonic flows with subsonic axial Mach numbers

A numerical approach is presented for the computation of flows in which the component of velocity in the selected marching direction is subsonic although the total velocity is supersonic. A local coordinate rotation procedure is employed together with an implicit differencing scheme. Complex coordinate transformations and time-consuming iterations are avoided. The implementation of the described approach is illustrated with the aid of a two-dimensional problem. An application in the case of three-dimensional flows is also discussed.

Marconi, F.↗

Sonic-box method employing local Mach number for oscillating wings with thickness

A computer program was developed to account approximately for the effects of finite wing thickness in the transonic potential flow over an oscillating wing of finite span. The program is based on the original sonic-box program for planar wing which was previously extended to include the effects of the swept trailing edge and the thickness of the wing. Account for the nonuniform flow caused by finite thickness is made by application of the local linearization concept. The thickness effect, expressed in terms of the local Mach number, is included in the basic solution to replace the coordinate transformation method used in the earlier work. Calculations were made for a delta wing and a rectangular wing performing plunge and pitch oscillations, and the results were compared with those obtained from other methods. An input quide and a complete listing of the computer code are presented.

Ruo, S. Y.↗

Gravitational memory and soft theorems: The local perspective

In general relativity, gravitational memory describes the lasting change in the separation and relative velocity of freely falling detectors after the passage of gravitational waves (GWs). In this paper, we elucidate the relation between Bondi-Metzner-Sachs transformations at future null infinity and the description of gravitational memory in local synchronous coordinates, commonly used in GW detectors like LISA. We show that gravitational memory corresponds to large residual diffeomorphisms in this gauge, such as volume-preserving spatial rescalings. We reproduce the associated soft theorems for scattering amplitudes. Finally, we derive novel soft theorems for equal-time (in-in) correlation functions, which are recognized as the flat space analogues of inflationary consistency relations with a soft tensor mode. Furthermore, these relations provide a pathway toward uncovering deeper connections between gravitational memory and cosmological correlators.

General relativity↗

Structural analysis model validation using modal test data

The design of a structure which can survive a prescribed dynamic environment is generally based on the use of an analytical model of the structure. The modal test is employed to verify the analytical model. This paper is concerned with the involved validation process, taking into account modal test results from realistic complex spacecraft structural systems as examples to demonstrate the proposed validation procedure. Attention is given to a load analysis model definition, a pretest analysis and test/analysis model, and the correlation parameters. Coordinate transformation is considered along with mode identification, frequency orthogonality, effective mass, mode shape, local kinetic energy, modal force, strain energy, and modal forces by acceleration measurements. Two examples are used to illustrate the procedure.

Chen, J.-C.↗

High‐Resolution Electron Tomography of Ultrathin Boerdijk–Coxeter–Bernal Nanowire Enabled by Superthin Metal Surface Coating

Abstract The rapid advancement of transmission electron microscopy has resulted in revolutions in a variety of fields, including physics, chemistry, and materials science. With single‐atom resolution, 3D information of each atom in nanoparticles is revealed, while 4D electron tomography is shown to capture the atomic structural kinetics in metal nanoparticles after phase transformation. Quantitative measurements of physical and chemical properties such as chemical coordination, defects, dislocation, and local strain have been made. However, due to the incompatibility of high dose rate with other ultrathin morphologies, such as nanowires, atomic electron tomography has been primarily limited to quasi‐spherical nanoparticles. Herein, the 3D atomic structure of a complex core–shell nanowire composed of an ultrathin Boerdijk–Coxeter–Bernal (BCB) core nanowire and a noble metal thin layer shell deposited on the BCB nanowire surface is discovered. Furthermore, it is demonstrated that a new superthin noble metal layer deposition on an ultrathin BCB nanowire could mitigate electron beam damage using an in situ transmission electron microscope and atomic resolution electron tomography. The colloidal coating method developed for electron tomography can be broadly applied to protect the ultrathin nanomaterials from electron beam damage, benefiting both the advanced material characterizations and enabling fundamental in situ mechanistic studies.

Song, Xiaohui↗

A feasibility study of hand kinematics for EVA analysis using magnetic resonance imaging

A new method of analyzing the kinematics of joint motion is developed. Magnetic Resonance Imaging (MRI) offers several distinct advantages. Past methods of studying anatomic joint motion have usually centered on four approaches. These methods are x-ray projection, goniometric linkage analysis, sonic digitization, and landmark measurement of photogrammetry. Of these four, only x-ray is applicable for in vivo studies. The remaining three methods utilize other types of projections of inter-joint measurements, which can cause various types of error. MRI offers accuracy in measurement due to its tomographic nature (as opposed to projection) without the problems associated with x-ray dosage. Once the data acquisition of MR images was complete, the images were processed using a 3D volume rendering workstation. The metacarpalphalangeal (MCP) joint of the left index finger was selected and reconstructed into a three-dimensional graphic display. From the reconstructed volumetric images, measurements of the angles of movement of the applicable bones were obtained and processed by analyzing the screw motion of the MCP joint. Landmark positions were chosen at distinctive locations of the joint at fixed image threshold intensity levels to ensure repeatability. The primarily two dimensional planar motion of this joint was then studied using a method of constructing coordinate systems using three (or more) points. A transformation matrix based on a world coordinate system described the location and orientation of a local target coordinate system. Future research involving volume rendering of MRI data focusing on the internal kinematics of the hand's individual ligaments, cartilage, tendons, etc. will follow. Its findings will show the applicability of MRI to joint kinematics for gaining further knowledge of the hand-glove (power assisted) design for extravehicular activity (EVA).

Dickenson, Rueben D.↗

A feasibility study of hand kinematics for EVA analysis using magnetic resonance imaging

A new method for analyzing the kinematics of joint motion using magnetic resonance imaging (MRI) is described. The reconstruction of the metacarpalphalangeal joint of the left index finger into a 3D graphic display is shown. From the reconstructed volumetric images, measurements of the angles of movement of the applicable bones are obtained and processed by analyzing the screw motion of the joint. Landmark positions are chosen at distinctive locations of the joint at fixed image threshold intensity levels to ensure repeatability. The primarily 2D planar motion of this joint is then studied using a method of constructing coordinate systems using three or more points. A transformation matrix based on a world coordinate system describes the location and orientation of the local target coordinate system. The findings show the applicability of MRI to joint kinematics for gaining further knowledge of the hand-glove design for EVA.

Dickenson, Reuben D.↗

Toward Complete Transformation of Sodium Polysulfides by Regulating the Second-Shell Coordinating Environment of Atomically Dispersed Fe

Room temperature sodium-sulfur (RT Na-S) batteries are highly competitive as potential energy storage devices. Nevertheless, their actually achieved reversible capacities are far below the theoretical value due to incomplete transformation of polysulfides. Herein, atomically dispersed Fe-N/S active center by regulating the second-shell coordinating environment of Fe single atom is proposed. The Fe-N4S2 coordination structure with enhanced local electronic concentration around the Fermi level is revealed via synchrotron radiation X-ray absorption spectroscopy (XAS) and theoretical calculations, which can not only significantly promote the transformation kinetics of polysulfides, but induce uniform Na deposition for dendrite-free Na anode. Here as a result, the obtained S cathode delivers a high initial reversible capacity of 1590 mAh g-1, nearly the theoretical value. Here this work opens up a new avenue to facilitate the complete transformation of polysulfides for RT Na-S batteries.

25 ENERGY STORAGE↗

Toward Complete Transformation of Sodium Polysulfides by Regulating the Second–Shell Coordinating Environment of Atomically Dispersed Fe

Room temperature sodium-sulfur (RT Na-S) batteries are highly competitive as potential energy storage devices. Nevertheless, their actually achieved reversible capacities are far below the theoretical value due to incomplete transformation of polysulfides. Herein, atomically dispersed Fe-N/S active center by regulating the second-shell coordinating environment of Fe single atom is proposed. The Fe–N 4 S 2 coordination structure with enhanced local electronic concentration around the Fermi level is revealed via synchrotron radiation X-ray absorption spectroscopy (XAS) and theoretical calculations, which can not only significantly promote the transformation kinetics of polysulfides, but induce uniform Na deposition for dendrite-free Na anode. As a result, the obtained S cathode delivers a high initial reversible capacity of 1590 mAh g –1 , nearly the theoretical value. Finally, this work opens up a new avenue to facilitate the complete transformation of polysulfides for RT Na-S batteries.

25 ENERGY STORAGE↗

Algebraic grid generation with control points

The control-point form (CPF) formulation is an algebraically defined class of coordinate transformations by means of which the interior form of the coordinates can be manipulated in the local fashion, and any boundary can be either specified or manipulated in a similar manner. Currently, the most intense activity involving CPF is with such graphic interactive codes as TurboI and TurboT, for which detailed illustrative examples are given; these have furnished experience on whose basis future interactive strategies can be developed.

Eiseman, Peter R.↗

A three-dimensional turbulent compressible subsonic duct flow analysis for use with constructed coordinate systems

An approximate analysis, applicable to nonorthogonal coordinate systems having a curved centerline and planar transverse coordinate surfaces normal to the centerline, is presented for computation of three-dimensional subsonic flow in straight and curved diffusers. The formulation is intended to facilitate the use of constructed coordinates in circumstances where it is difficult to maintain smooth behavior in higher derivatives; the use of local Cartesian variables and fluxes leads to governing equations which require only first derivatives of the coordinate transformation. The analysis is applied to a particular family of duct and diffuser geometries having curved centerlines and superelliptic cross sections. Qualitative agreement with experimental measurements is observed with regard to streamwise vortices and distortion of the primary flow.

Levy, R.↗

A three-dimensional turbulent compressible subsonic duct flow analysis for use with constructed coordinate systems

An approximate analysis is presented which is applicable to nonorthogonal coordinate systems having a curved centerline and planar transverse coordinate surfaces normal to the centerline. The primary flow direction is taken to coincide with the local direction of the duct centerline and is hence normal to transverse coordinate planes. The formulation utilizes vector components (velocity, vorticity, transport equations) defined in terms of local Cartesian directions aligned with the centerline tangent, although the governing equations themselves are expressed in general nonorthogonal coordinates. For curved centerlines, these vector quantities are redefined in new local Cartesian directions at each streamwise location. The use of local Cartesian variables and fluxes leads to governing equations which require only first derivatives of the coordinate transformation, and this provides for the aforementioned ease in using constructed coordinates.

Levy, R.↗

Examining the order-of-limits problem and lattice constant performance of the Tao–Mo functional

In their recent communication a semi-local density functional derived from the density matrix expansion of the exchange hole localised by a general coordinate transformation. We show that the order-of-limits problem present in the functional, dismissed as harmless in the original publication, causes severe errors in predicted phase transition pressures. We also show that the claim that lattice volume prediction accuracy exceeds that of existing similar functionals was based on comparison to reference data that misses anharmonic zero-point expansion and consequently overestimates accuracy. Here, by highlighting these omissions, we give a more accurate assessment of the Tao-Mo functional and show a possible direction for resolving the order-of-limits problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Autonomous navigation system

An inertial navigation system utilizing a servo-controlled two degree of freedom pendulum to obtain specific force components in the locally level coordinate system is described. The pendulum includes a leveling gyroscope and an azimuth gyroscope supported on a two gimbal system. The specific force components in the locally level coordinate system are converted to components in the geographical coordinate system by means of a single Euler transformation. The standard navigation equations are solved to determine longitudinal and lateral velocities. Finally, vehicle position is determined by a further integration.

Merhav, S. J.↗

Particle paths and phase plane for time-dependent similarity solutions of the one-dimensional Vlasov-Maxwell equations

The phase trajectories of particles in a plasma described by the one-dimensional Vlasov-Maxwell equations are determined qualitatively, analyzing exact general similarity solutions for the cases of temporally damped and growing (sinusoidal or localized) electric fields. The results of numerical integration in both untransformed and Lie-group point-transformed coordinates are presented in extensive graphs and characterized in detail. The implications of the present analysis for the stability of BGK equilibria are explored, and the existence of nonlinear solutions arbitrarily close to and significantly different from the BGK solutions is demonstrated.

Roberts, Dana Aaron↗