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At least 1,675 records · Page 93

A study of solid wall models for weakly compressible SPH

This paper is concerned with a comparison of two methods of treating solid wall boundaries in the weakly compressible (SPH) method. They have been chosen because of their wide use in simulations. These methods are the boundary force particles of Monaghan and Kajtar [24] and the use of layers of fixed boundary particles. The latter was first introduced by Morris et al. [26] but has since been improved by Adami et al. [1] whose algorithm involves interpolating the pressure and velocity from the actual fluid to the boundary particles. For each method, we study the effect of the density diffusive terms proposed by Molteni and Colagrossi [19] and modified by Antuono et al. [3]. We test the methods by a series of simulations commencing with the time-dependent spin-down of fluid within a cylinder and the behaviour of fluid in a box subjected to constant acceleration at an angle to the walls of the box, and concluding with a dam break over a triangular obstacle. In the first two cases the results from the two methods can be compared to analytical solutions while, in the latter case, they can be compared with experiments and other methods. These results show that the method of Adami et al. together with density diffusion is in very satisfactory agreement with the experimental results and is, overall, the best of the methods discussed here.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nucleation and Early Stage Growth of Li Electrodeposits

The morphologies metal electrodeposits adopt during the earliest stages of electrodeposition are known to play a critical role in the recharge of electrochemical cells that use metals as anodes. In this work, we report results from a combined theoretical and experimental study of the early-stage nucleation and growth of electrodeposited lithium at liquid-solid interfaces. The spatial characteristics of Lithium electrodeposits are studied via Scanning Electron Microscopy in tandem with Image analysis. Comparisons of Li nucleation and growth in multiple electrolytes provide a comprehensive picture of the initial nucleation and growth dynamics. We report that ion diffusion in the bulk electrolyte and through the Solid Electrolyte Interphase (SEI) formed spontaneously on the metal play equally important roles on Li nucleation and growth. Furthermore, we postulate that the underlying physics dictating bulk and surface diffusion are similar across a range of electrolyte chemistries and measurement conditions and that fluorinated electrolytes produce a distinct flattening of Li electrodeposits at low rates. These observations are rationalized using X-ray Photoelectron Spectroscopy (XPS), Electrochemical Impedance Spectroscopy (EIS), and contact angle goniometry to probe the interfacial chemistry and dynamics. Our results show that high interfacial energy and high surface ion diffusivity are necessary for uniform Li plating.

25 ENERGY STORAGE↗

Functionalized Silicon Particles for Enhanced Half- and Full-Cell Cycling of Si-Based Li-Ion Batteries

Vinylene carbonate (VC) and polyethylene oxide (PEO) have been investigated as functional agents that mimic the solid electrolyte interphase (SEI) chemistry of silicon (Si). VC and PEO are known to contribute to the stability of Si-based lithium-ion batteries as an electrolyte additive and as a SEI component, respectively. In this work, covalent surface functionalization was achieved via a facile route, which involves ball-milling the Si particles with sacrificial VC and PEO. Thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS), and magic angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy indicate that the additives are strongly bound to Si. In particular, MAS NMR shows Si–R or Si–O–R groups, which confirm functionalization of the Si after milling in VC or PEO. Particle size analysis by dynamic light scattering reveals that the additives facilitate particle size reduction and that the functionalized particles result in more stable dispersions based on zeta potential measurements. Raman mapping of the electrodes fabricated from the VC and PEO-coated active material with a polyacrylic acid (PAA) binder reveals a more homogenous distribution of Si and the carbon conductive additive compared to the electrodes prepared from the neat Si. Furthermore, the VC-milled Si strikingly exhibited the highest capacity in both half- and full-cell configurations, with more than 200 mAh g –1 measured capacity compared to the neat Si in the half-cell format. This is linked to an improved electrode processing based on the Raman and zeta potential measurements as well as a thinner SEI (with more organic components for the functionalized Si relative to the neat Si) based on XPS analysis of the cycled electrodes. In conclusion, the effect of binder was also investigated by comparing PAA with P84 (polyimide type), where an increased capacity is observed in the latter case.

25 ENERGY STORAGE↗

Ion irradiation induced structural modifications and increase in elastic modulus of silica based thin films

Ion irradiation is an alternative to heat treatment for transforming organic-inorganic thin films to a ceramic state. One major shortcoming in previous studies of ion-irradiated films is the assumption that constituent phases in ion-irradiated and heat-treated films are identical and that the ion irradiation effect is limited to changes in composition. Here, we investigate the effects of ion irradiation on both the composition and structure of constituent phases and use the results to explain the measured elastic modulus of the films. Our results indicated that the microstructure of the irradiated films consisted of carbon clusters within a silica matrix. It was found that carbon was present in a non-graphitic sp 2 -bonded configuration. It was also observed that ion irradiation caused a decrease in the Si-O-Si bond angle of silica, similar to the effects of applied pressure. A phase transformation from tetrahedrally bonded to octahedrally bonded silica was also observed. The results indicated the incorporation of carbon within the silica network. Finally, a combination of the decrease in Si-O-Si bond angle and an increase in the carbon incorporation within the silica network was found to be responsible for the increase in the elastic modulus of the films.

36 MATERIALS SCIENCE↗

Ion diffusion across a disorder-to-order phase transition in a poly(ethylene oxide)- b -poly(silsesquioxane) block copolymer electrolyte

Nanostructured block copolymer electrolytes composed of organic and inorganic moieties have the potential to enable solid-state batteries. Practical uses of these materials, however, require an understanding of the microscopic and macroscopic ion transport properties across the microphase-separated systems. The self-diffusion of salt ions across a disorder-lamellar phase transition in a nanostructured poly(ethylene oxide)-b-poly(silsesquioxane) copolymer was studied using pulsed-field gradient NMR (PFG-NMR) and changes in the morphology were studied using small-angle X-ray scattering. The diffusion of the salt is isotropic when the polymer electrolyte is disordered and locally anisotropic when the polymer is microphase separated. The difference between the diffusion coefficient parallel to the lamellae, D ∥ , and the diffusion coefficient perpendicular to the lamellae, D ⊥ , measured using PFG-NMR, increases with increasing segregation strength. Finally, the anisotropy of diffusion parallels changes in the morphology measured by small-angle X-ray scattering.

42 ENGINEERING↗

Demonstration of full-scale spatiotemporal diagnostics of solid-density plasmas driven by an ultra-short relativistic laser pulse using an X-ray free-electron laser

Understanding the complex plasma dynamics in ultra-intense relativistic laser–solid interactions is of fundamental importance for applications of laser–plasma-based particle accelerators, the creation of high-energy-density matter, understanding planetary science, and laser-driven fusion energy. However, experimental efforts in this regime have been limited by the lack of accessibility of over-critical densities and the poor spatiotemporal resolution of conventional diagnostics. Over the last decade, the advent of femtosecond brilliant hard X-ray free-electron lasers (XFELs) has opened new horizons to overcome these limitations. Here, for the first time, we present full-scale spatiotemporal measurements of solid-density plasma dynamics, including preplasma generation with tens of nanometer scale length driven by the leading edge of a relativistic laser pulse, ultrafast heating and ionization at the main pulse arrival, the laser-driven blast wave, and transient surface return current-induced compression dynamics up to hundreds of picoseconds after interaction. These observations are enabled by utilizing a novel combination of advanced X-ray diagnostics including small-angle X-ray scattering, resonant X-ray emission spectroscopy, and propagation-based X-ray phase-contrast imaging simultaneously at the European XFEL-HED beamline station.

Huang, Lingen [Helmholtz-Zentrum Dresden-Rossendor↗

Direct time-domain observation of attosecond final-state lifetimes in photoemission from solids

Attosecond spectroscopic techniques have made it possible to measure differences in transport times for photoelectrons from localized core levels and delocalized valence bands in solids. Here, we report the application of attosecond pulse trains to directly and unambiguously measure the difference in lifetimes between photoelectrons born into free electron–like states and those excited into unoccupied excited states in the band structure of nickel (111). An enormous increase in lifetime of 212 ± 30 attoseconds occurs when the final state coincides with a short-lived excited state. Moreover, a strong dependence of this lifetime on emission angle is directly related to the final-state band dispersion as a function of electron transverse momentum. Our finding underscores the importance of the material band structure in determining photoelectron lifetimes and corresponding electron escape depths.

36 MATERIALS SCIENCE↗

Test data from small solid propellant rocket motor plume measurements (FA-21)

A program is described for obtaining a reliable, parametric set of measurements in the exhaust plumes of solid propellant rocket motors. Plume measurements included pressures, temperatures, forces, heat transfer rates, particle sampling, and high-speed movies. Approximately 210,000 digital data points and 15,000 movie frames were acquired. Measurements were made at points in the plumes via rake-mounted probes, and on the surface of a large plate impinged by the exhaust plume. Parametric variations were made in pressure altitude, propellant aluminum loading, impinged plate incidence angle and distance from nozzle exit to plate or rake. Reliability was incorporated by continual use of repeat runs. The test setup of the various hardware items is described along with an account of test procedures. Test results and data accuracy are discussed. Format of the data presentation is detailed. Complete data are included in the appendix.

Hair, L. M.↗

Transonic Navier-Stokes solutions of three-dimensional afterbody flows

The performance of a three-dimensional Navier-Stokes solution technique in predicting the transonic flow past a nonaxisymmetric nozzle was investigated. The investigation was conducted at free-stream Mach numbers ranging from 0.60 to 0.94 and an angle of attack of 0 degrees. The numerical solution procedure employs the three-dimensional, unsteady, Reynolds-averaged Navier-Stokes equations written in strong conservation form, a thin layer assumption, and the Baldwin-Lomax turbulence model. The equations are solved by using the finite-volume principle in conjunction with an approximately factored upwind-biased numerical algorithm. In the numerical procedure, the jet exhaust is represented by a solid sting. Wind-tunnel data with the jet exhaust simulated by high pressure air were also obtained to compare with the numerical calculations.

Compton, William B., III↗

A numerical study of the effects of wind tunnel wall proximity on an airfoil model

A procedure was developed for modeling wind tunnel flows using computational fluid dynamics. Using this method, a numerical study was undertaken to explore the effects of solid wind tunnel wall proximity and Reynolds number on a two-dimensional airfoil model at low speed. Wind tunnel walls are located at varying wind tunnel height to airfoil chord ratios and the results are compared with freestream flow in the absence of wind tunnel walls. Discrepancies between the constrained and unconstrained flows can be attributed to the presence of the walls. Results are for a Mach Number of 0.25 at angles of attack through stall. A typical wind tunnel Reynolds number of 1,200,000 and full-scale flight Reynolds number of 6,000,000 were investigated. At this low Mach number, wind tunnel wall corrections to Mach number and angle of attack are supported. Reynolds number effects are seen to be a consideration in wind tunnel testing and wall interference correction methods. An unstructured grid Navier-Stokes code is used with a Baldwin-Lomax turbulence model. The numerical method is described since unstructured flow solvers present several difficulties and fundamental differences from structured grid codes, especially in the area of turbulence modeling and grid generation.

Potsdam, Mark↗

Entry Guidance Design and Post-Flight Performance of the Mars 2020 Mission

Like its predecessor Mars Science Laboratory, the Mars 2020 mission successfully utilized a derivative of the Apollo Entry Terminal Point Controller guidance algorithm, whereby bank angle controls range flown along a trajectory. The flight performance of this algorithm in conjunction with a range-trigger for parachute deploy delivered the Perseverance rover to 1.7 km from the expected touchdown location within an ellipse of 7.5 x 5.2 km. This miss distance is largely attributed to atmospheric and aerodynamic modeling uncertainties between the design and as-flown trajectory. This algorithm for guided entry continues to provide a solid basis for Mars missions to improve upon.

Guidance↗

Post-Flight EDL Entry Guidance for the Mars 2020 Mission

Like its predecessor Mars Science Laboratory, the Mars 2020 mission successfully utilized a derivative of the Apollo Entry Terminal Point Controller guidance algorithm, whereby bank angle controls range flown along a trajectory. The flight performance of this algorithm in conjunction with a range-trigger for parachute deploy delivered the Perseverance rover to 1.7 km from the expected touchdown location within an ellipse of 7.5 x 5.2 km. This miss distance is largely attributed to atmospheric and aerodynamic modeling uncertainties between the design and as-flown trajectory. This algorithm for guided entry continues to provide a solid basis for Mars missions to improve upon.

Guidance↗

Chemical and Structural Insights into Solid Electrolyte Interphase Evolution for Sodium Metal Electrodes

The solid electrolyte interphase (SEI) critically governs the reversibility of sodium metal batteries, through dynamically mediating ion transport and interfacial reactions. However, its kinetic evolution under operating conditions, and how it influences interfacial stability, remains poorly understood. Here, in this study, we reveal that the SEI undergoes coupled chemical and mechanical changes during sodium plating and stripping, leading to spatial and temporal heterogeneity that drives interfacial degradation. Synchrotron operando grazing-incidence wide-angle X-ray scattering and soft X-ray absorption spectroscopy capture the sequential formation and dissolution of inorganic SEI phases (NaF, NaH, NaOH, Na 2 PO 3 F), accompanied by depth-dependent alterations in organic SEI components. Mesoscale modeling connects this evolving SEI heterogeneity to localized current density fluctuations and stress accumulation at the Na interface, identifying pathways to electrically isolated sodium formation. These findings show that SEI instability fundamentally limits reversibility in sodium metal batteries, and that controlling SEI chemistry–mechanics coupling is essential to achieving its durability.

36 MATERIALS SCIENCE↗

An evaluation for geometries, formation enthalpies, and dissociation energies of diatomic and triatomic (C, H, N, O), NO 3 , and HNO 3 molecules from the PAW DFT method with PBE and optB88-vdW functionals

The structural geometries, formation enthalpies, and dissociation energies of all diatomic and triatomic molecules consisting of the four basic elements C, H, N, and/or O are calculated using the projector augmented wave density functional theory (DFT) method with the Perdew–Burke–Ernzerhof and optB88-vdW exchange-correlation functionals. The calculations are also extended to two larger molecules NO 3 and HNO 3 , which consist of four and five atoms, respectively. In total, 82 molecules or isomers are considered in the calculations. The geometric parameters including 42 bond lengths and 15 bond angles of these molecules calculated using the planewave DFT method are highly satisfactory, relative to the available experimental data. The error analysis is also performed for 49 formation enthalpies and 138 dissociation energies (including 51 atomization energies as well as the corresponding bond dissociation energies). The results are also compared with the previous data from various atomic-orbital-based methods for molecules and from similar or different planewave DFT methods for various solids and other molecules. This provides an informative and instructive evaluation especially for calculating the large-size material systems containing these small molecules as well as for developing the DFT methods further.

74 ATOMIC AND MOLECULAR PHYSICS↗

Rapid Screening of Liquid Metal Wetting for a Materials Compatibility Library

Wetting behavior of molten metals on solid substrates is a critical phenomenon influencing numerous industrial applications, including welding, anti-corrosion coatings, and metal additive manufacturing (AM). In particular, molten metal jetting (MMJ), an emerging AM technology, requires that the molten metal remain pinned at the nozzle exit. Thus, each new metal requires a specific nozzle material to ensure consistent droplet ejection and deposition, making it important to rapidly identify the appropriate wetting combinations. However, traditional measurements of wetting angles require expensive equipment and only allow one combination of materials to be investigated at a time which can be time consuming. This work introduces a rapid screening method based on sessile droplet experiments to evaluate wetting profiles across multiple metal–substrate combinations simultaneously. This study investigates the wetting interactions of molten Al alloy (Al4008), Cu, and Sn on various ceramic and metal substrates to identify optimal material combinations for MMJ nozzle designs. Results demonstrate that Al4008 achieves wetting on ceramic substrates such as AlN, TiO 2 , and SiC, with varying mechanisms including chemical reactions and weak surface interactions. Additionally, theoretical predictions regarding miscibility gaps and melting point differences were verified for Cu and Sn on refractory metals like Mo and W. Findings from this study contribute to the establishment of a materials compatibility library, enabling the selection of wetting/non-wetting combinations for stable MMJ operation. This resource not only advances MMJ technologies but also provides valuable insights for broader applications such as welding, coating, and printed electronics.

Materials science↗

Wind Tunnel Test Results of Fairings on A.004 Scale Model Rockwell Space Shuttle Integrated Vehicle Aerodynamic Characteristics at Mach Numbers from 0.6 to 4.96 (IA62F)

Experimental aerodynamic investigations were conducted on a .004 scale model (34-OTS) orbiter, external tank, and solid rocket booster combined as an integrated vehicle in the NASA/MSFC 14 x 14 inch trisonic wind tunnel. The primary test objective was to determine the effect of a full length orbiter/external tank fairing on axial force. Secondary objectives were to define the static stability characteristics of the mated vehicle configuration with fairings over a Mach number range of 0.6 thru 4.96. Six component aerodynamic force and moment data were recorded over an angle of attack range from -10 deg to 10 deg at 0 deg sideslip angle and from -10 deg to 10 deg sideslip range at 0 deg and 5 deg angle of attack. Plotted and tabular results are presented herein.

Allen, E. C.↗

An automated mapping satellite system

Topographic maps are compiled by manually operated stereoplotters that recreate the geometry of two wide-angle overlapping stereo frame photographs. Continuous imaging systems such as strip cameras, electro-optical scanners, or linear arrays of detectors (push brooms) can also create stereo coverage from which topography can be compiled; however, the instability of an aircraft in the atmosphere makes this approach impractical. The benign environment of space permits a satellite to orbit the Earth with very high stability as long as no local perturbing forces are involved. Solid-state linear-array sensors have no moving parts and create no perturbing force on the satellite. Digital data from highly stabilized stereo linear arrays are amenable to simplified processing to produce both planimetric imagery and elevation data. A proposed satellite, called MAPSAT, could accomplish automated mapping in near real time. Image maps as large as 1:50,000 scale with contours as close as 20-m interval may be produced from MAPSAT data.

Colvocoreses, A. P.↗

Extension-torsion coupling behavior of advanced composite tilt-rotor blades

An analytic model was developed to study the extension-bend-twist coupling behavior of an advanced composite helicopter or tilt-rotor blade. The outer surface of the blade is defined by rotating an arbitrary cross section about an initial twist axis. The cross section can be nonhomogeneous and composed of generally anisotropic materials. The model is developed based upon a three dimensional elasticity approach that is recast as a coupled two-dimensional boundary value problem defined in a curvilinear coordinate system. Displacement solutions are written in terms of known functions that represent extension, bending, and twisting and unknown functions for local cross section deformations. The unknown local deformation functions are determined by applying the principle of minimum potential energy to the discretized two-dimensional cross section. This is an application of the Ritz method, where the trial function family is the displacement field associated with a finite element (8-node isoparametric quadrilaterals) representation of the section. A computer program was written where the cross section is discretized into 8-node quadrilateral subregions. Initially the program was verified using previously published results (both three-dimensional elasticity and technical beam theory) for pretwisted isotropic bars with an elliptical cross section. In addition, solid and thin-wall multi-cell NACA-0012 airfoil sections were analyzed to illustrate the pronounced effects that pretwist, initial twist axis location, and spar location has on coupled behavior. Currently, a series of advanced composite airfoils are being modeled in order to assess how the use of laminated composite materials interacts with pretwist to alter the coupling behavior of the blade. These studies will investigate the use of different ply angle orientations and the use of symmetric versus unsymmetric laminates.

Kosmatka, J. B.↗