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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Test Report for MSFC Test No. 83-2: Pressure scaled water impact test of a 12.5 inch diameter model of the Space Shuttle solid rocket booster filament wound case and external TVC PCD

Water impact tests using a 12.5 inch diameter model representing a 8.56 percent scale of the Space Shuttle Solid Rocket Booster configuration were conducted. The two primary objectives of this SRB scale model water impact test program were: 1. Obtain cavity collapse applied pressure distributions for the 8.56 percent rigid body scale model FWC pressure magnitudes as a function of full-scale initial impact conditions at vertical velocities from 65 to 85 ft/sec, horizontal velocities from 0 to 45 ft/sec, and angles from -10 to +10 degrees. 2. Obtain rigid body applied pressures on the TVC pod and aft skirt internal stiffener rings at initial impact and cavity collapse loading events. In addition, nozzle loads were measured. Full scale vertical velocities of 65 to 85 ft/sec, horizontal velocities of 0 to 45 ft/sec, and impact angles from -10 to +10 degrees simulated.

Source record↗
NASA NTRS1989

Wide range magnetic electron spectrograph

An electron spectrogrpah is described that covers electron energies from 400 eV to 200 keV with an energy resolution of 10 percent. This overlaps the range of electrostatic deflection devices at low energy and solid state detectors at high energy. The spectrograph uses magnetic deflection of the electrons to achieve energy separation and images the full range of energies on a single plane. The magnetic circuit uses the fringing field of two axially located magnets to attain the large energy range. Six separate electron beams can be dispersed in the field, each entering the circuit from a different angle. This is a particular advantage when measuring plasma electron three-dimensional velocity distributions. The angular response of the instrument is particularly favorable and the stray magnetic field is sufficiently low to meet spacecraft requirements.

Coplan, M. A.↗
NASA NTRS2019

The Multi-Mission Earth Entry Vehicle for Sample Return Missions – Past, Present, and Future

The Multi-Mission Earth Entry Vehicle (MMEEV) is an enabling technology developed at NASA’s Langley Research Center (LaRC) over the last two decades for returning samples to Earth across a wide array of space science missions. Currently, the MMEEV is being considered for NASA’s Mars Sample Return (MSR) mission. The original vehicle concept, the Earth Entry Vehicle (EEV), was innovated at LaRC in 1998 as a robust solution to return Mars soil samples to Earth under stringent backward contamination requirements. These backward contamination requirements drove the EEV to have higher reliability than any capsule previously designed for a return-to-Earth sample return mission. The EEV achieved this high reliability by employing a passive (no active systems) vehicle architecture optimized for fault tolerance in a compact, low-mass configuration that is extensible to virtually any sample return mission. The original EEV concept utilized a carbon-carbon primary structure with high-density carbon phenolic thermal protection system. The capsule had a 60-degree sphere-cone forebody and a backshell geometry uniquely tailored to produce aerodynamics that would passively re-orient the vehicle if it entered the atmosphere with an off-nominal attitude. Contrary to every other sample return capsule conceived at the time, the EEV was designed to land without a parachute. The vehicle incorporated an integral energy-absorbing crushable structure that protected the Mars sample for landings on surfaces ranging from soft soil to solid concrete. This paper describes 20 years of technological advancements LaRC has incorporated into the EEV architecture to evolve it from the original, MSR-enabling vehicle, to a true multi-mission capability relevant to any sample return mission. The vehicle’s unique Integrated Composite Stiffener Structure (ICoSS) has been optimized for specific strength - supporting high-G atmospheric entries with steep entry angles that produce precise landing footprints on the ground. The vehicle geometry has been refined through wind tunnel testing and computational fluid dynamics simulations to improve the vehicle’s aerodynamic stability and robustness to off-nominal conditions from hypersonic to subsonic flight. The resulting configuration of the current MMEEV architecture is described, with details provided on its sample carrying capacity and atmospheric entry trajectory capabilities. The upgraded vehicle performance is mapped into current space science objectives, showing how the MMEEV supports future sample return missions and continues to be an enabling technology for NASA’s vision to return samples from Mars.

J M Corliss↗
DOE OSTI2023

INVESTIGATION OF ROCK-FLUID INTERACTIONS USING GEOMATERIAL MICROFLUIDICS

Illite and Illite-Smectite clays are reportedly the Caney Shale's most prevalent clay minerals. The swelling and fines migration of clays may occur when water-based fluids contact the clay minerals. This may result in the reduction of pore space and permeability, and wettability alteration. Therefore, we quantified the swelling potentials, fines migration and wettability alteration of Illite and Illite-Smectite clays upon exposure to model brines and a produced water, and a model oil and a crude oil. We measured density, viscosity, pH, TDS, and interfacial tension as they are important in multiphase flow and displacement characteristics. Geomaterial microfluidics is recently being used to study physicochemical interactions of solid-fluid systems. It facilitates visualizing the surface behavior upon exposure to various fluids. This study includes preparation and characterization of Illite-Smectite clay-coated glass capillary tubes. Illite and Illite-Smectite clay-coated geomaterial microfluidic surfaces were prepared to investigate the effects of first contact fluid, brine salinity, and aging on wettability. In this work, advancing and receding contact angles of model brine-air, model oil-air, produced water-air, crude oil-air, model brine-model oil systems, and produced water-crude oil systems have been measured in the untreated, and clay-coated microfluidic channels of 1000 µm width and 50 µm depth. The aging effect was studied by retaining the non-aqueous and aqueous solutions in the corresponding microfluidic channels for approximately 24 h in the case of channels first contacted by aqueous and non-aqueous solutions, respectively. The advancing and receding contact angles of Caney shale-crude oil-produced water systems were also measured. The experimental findings indicate the swelling potential, fines migration, and wettability alteration of Illite and Illite-Smectite clays. The results signify the influence of first contact fluid, brine salinity, and aging on wettability of the untreated and clay-coated microfluidic surfaces. The experiments also demonstrate the wetting nature of the Caney shale samples from reservoir and non-reservoir zones.

02 PETROLEUM↗
NASA NTRS1973

Space shuttle: Aerodynamic characteristics of a 162-inch diameter solid rocket booster with and without strakes

Tests conducted at NASA-Langley have shown that a small flap or strake can generate a significant amount of lift on a circular cylinder with large cross flow. If strakes are placed on the opposite sides and ends on a circular body, a moment will be produced about the center of mass of the body. The purpose of this test was to determine the static-aerodynamic forces and moments of a 162-inch diameter SRB (PRR) with and without strakes. The total angle-of-attack range of the SRB test was from -10 to 190 degrees. Model roll angles were 0, 45, 90, and 135 degrees with some intermediate angles. The Mach range was from 0.6 to 3.48. The 0.00494 scale model was designated as MSFC No. 449.

Johnson, J. D.↗
DOE OSTI2019

Assessment of impinged flame structure in high-pressure direct diesel injection

Spray impingement often occurs during cold-start in direct-injection diesel engines, affecting the subsequent combustion process by altering the local flow condition. This work has investigated the impinged flame structure by examining local expansion distance and planar curvature of the boundary in details. The experiments were carried out in a constant volume combustion chamber. The injection pressure and ambient density were varied from 120 to 180 MPa and 14.8 to 30.0 kg/m 3 under non-vaporizing conditions, respectively. For reacting conditions, the injection pressure and ambient density were fixed at 150 MPa and 22.8 kg/m 3 but with different ambient temperatures from 800 to 1000 K. Unlike orthogonal spray impingement, the profile of expansion distance along the radial direction at the 60° impinging angle is non-uniform but the profile is comparable between the non-vaporizing and reacting conditions under the same injection pressure and ambient density. With the help of Intensity-aXial-Time method, the most intensive soot luminosity region and Mie scattering intensity region are identified and the region has been found to be along the impinged spray axial direction. Outmost boundary of an impinged flame is found to have wrinkles attributed to air entrainment. The temporal level of flame wrinkles is higher in reacting conditions than in non-vaporizing conditions. The scatter distribution of the boundary curvature and near-field soot formation illustrates an inverted “S” shape correlation with time. High flame luminosity is found to be formed in concave regions while less soot is formed in convex regions. This inverted S-shape is a new finding of the state relationship at the solid–liquid–gas impinged flame propagation. Finally, heat flux measurement through the plate is examined.

Engineering↗
DOE OSTI2015

Transmission electron microscopy study of the MgS–Tm{sub 2}S{sub 3} system

This work presents the structural–microstructural characterization of the NaCl-derivative MgS–Tm{sub 2}S{sub 3} system, which can be formulated by the expression Mg{sub (1−x)}Tm{sub (2/3)x}□{sub (1/3)x}S (□→cation vacancy). Transmission electron microscopy observations show the transition between NaCl-type and spinel-type structures when 0 ≤x≤ 0.75. The increase of Tm content in the solid solution provokes the increase of the spinel-type phase proportion, which intergrows with the NaCl-type crystals. When x≥0.75, some phases derived from NaCl-type structure through the chemical twinning at the unit cell level crystallographic operation are observed, such as CT-MgTm{sub 2}S{sub 4} and CT-MgTm{sub 4}S{sub 7}. The existence and nature of the extended defects observed along the c direction of these structures are characterized by means of Scanning-Transmission electron microscopy high-angle dark field imaging, which allows observing the presence of quasi ordered crystals with new possible complex stoichiometries at atomic resolution. - Graphical abstract: HAADF-STEM image of a disordered CT-MgYb{sub 2}S{sub 4} crystal. The disordered twin-slab sequences are marked by arrows. - Highlights: • Structural evolution of the Mg{sub (1−x)}Tm{sub (2/3)x}□{sub (1/3)x}S system was characterized by means of TEM. • The increase in Tm content provokes the transition from NaCl to spinel-type structure up to x=0.75. • Chemical twinned phases CT-MgTm{sub 2}S{sub 4} and CT-MgTm{sub 4}S{sub 7} are observed at high Tm contents. • Extended defects in CT-crystals are characterized with atomic resolution STEM-HAADF images.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Freezing in porous media: Phase behavior, dynamics and transport phenomena

This research was focused on developing the underlying framework for the mechanisms that control the nature of the solidification of a broad range of porous media. To encompass the scope of porous media under consideration we considered material ranging from a dilute colloidal suspension to a highly packed saturated host matrix with a known geometry. The basic physical processes that occur when the interstitial liquid phase solidifies revealed a host of surprises with a broad range of implications from geophysics to materials science and engineering. We now understand that ostensibly microscopic films of unfrozen liquid control both the equilibrium and transport properties of a highly packed saturated host matrix as well as a rather dilute colloidal suspension. However, our description of the effective medium behavior in these settings is rather different and this sets the stage for the future research based on our past results. Once the liquid phase of a saturated relatively densely packed material is frozen, there is a rich dynamical behavior of particles for example due to the directed motion driven by thermomolecular pressure gradients or the confined Brownian motion of the particles. In quite striking contrast, when one freezes a dilute suspension the behavior can be rather more like that of a binary alloy with the particles playing the role of a ``solute''. We probed such systems quantitatively by (i) using X ray photon correlation spectroscopy (XPCS) and Small Angle X-ray Scattering (SAXS) at the Advanced Photon Source at Argonne (ii) studying the Argonne cell in the laboratory using optical microscopy and imagery (because it is not directly visible while in the vacuum can). (3) analyzed the general transport phenomena within the framework of both irreversible thermodynamics and alloy solidification and (4) applied the results to the study of the redistribution of solid particles in a frozen interstitial material. This research has gone a long way towards establishing a quantitative foundation for a wide class of problems in environmental and technological settings.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1977

An investigation to determine the static pressure distribution of the 0.00548 scale shuttle solid rocket booster (MSFC model number 468) during reentry in the NASA/MSFC 14 inch trisonic wind tunnel (SA28F)

The results of a pressure test of a .00548 scale 146 inch Space Shuttle Solid Rocket Booster (SRB) with and without protuberances, conducted in a 14 x 14 inch trisonic wind tunnel are presented. Static pressure distributions for the SRB at reentry attitudes and flight conditions were obtained. Local longitudinal and ring pressure distributions are presented in tabulated form. Integration of the pressure data was performed. The test was conducted at Mach numbers of 0.40 to 4.45 over an angle of attack range from 60 to 185 degrees. Roll angles of 0, 45, 90 and 315 degrees were investigated. Reynolds numbers per foot varied for selected Mach numbers.

Braddock, W. F.↗
NASA NTRS2018

Conceptual Aerodynamic Design of a Tail-Cone Thruster System Under Axi-Symmetric Inlet Distortion

This paper presents a conceptual design of a tail-cone thruster system which is operating under an axisymmetric inlet distortion. An effort to realize the targeted fuel burn saving that was proposed in NASA's STARC_ABL aircraft design is made through a CFD (Computational Fluid Dynamics)-based design approach. This method employs three iterative steps to exploit the CFD tools until the design requirements are met: a quasi-2D through-flow model to design the fan/EGV (Exit Guide Vane), a 3-D RANS (Reynolds Averaging Navier-Stokes) simulation of the single blade row to account for the inlet/fan and the EGV/nozzle interaction, and a 3-D RANS simulation of the airframe with a propulsor installed - propulsion airframe integration (PAI). The design requirements which include the thrust, and shaft power of the propulsor are matched throughout the evaluations coming from two CFD domains, i.e., the turbo-machinery and the PAI. During the switch between these different computational domains, the inlet and exit profiles are matched via the correction factors of the body-force model. The present tail-cone thruster (TCT) aerodynamic design leverages a low-pressure ratio fan (FPR=1.2 to approximately 1.25) of which the camber-line angles are predicted by a quasi-2D through-flow model. The quasi-2D model is derived to analyze the radially distorted flow resulting from the ingested boundary layer at the inlet. It also estimates the appropriate velocity vectors of the metal angles of the fan and EGV which is subjected to different types of vortex at the fan exit. The baseline geometry is revisited and its internal flow-path and exhaust cone are redesigned to illustrate the strong correlation among the components of the propulsor in the PAI domain. The peak efficiency point of the fan/EGV with respect to the blade counts, also known as solidity, and rotational speed is chosen for the cruise condition via parametric studies. The corresponding performance maps are presented. The resulting performance metrics of the new conceptual design of the BLI (Boundary Layer Ingestion) propulsor are analyzed and compared with these of the baseline in the PAI aspect. Finally, ideas of the CFD based design of a BLI propulsor are discussed based on the observations drawn from the numerical results.

Inlet↗
DOE OSTI2025

Crystal structure of Cu2Zn(GexSi1−x)Se4 solid solution: the kesterite to wurtz–kesterite structural phase transition

Developing low-cost, sustainable, and environmentally friendly top absorber layers for tandem solar cells is essential to advancing photovoltaic technologies and accelerating the transition to renewable energy. In this work, we explore the potential of tetravalent (Cu2Zn(GexSi1−x)Se4) cation mutations in chalcogenide compound semiconductors with the aim of finding a material with increased band gap and reduced structural disorder. A combination of high-resolution synchrotron powder diffraction and neutron powder diffraction was used to determine the atomic positions and monoclinic angles in monoclinic wurtz–kesterite type Cu2Zn(GexSi1−x)Se4 mixed crystals as well as to determine the cation distribution in the crystal structure of Ge-rich kesterite-type and Si-rich wurtz–kesterite type mixed crystals. These investigations enabled us to deduce the structural transition scenario within the Cu2Zn(GexSi1−x)Se4 series. The transition occurs via a region where two phases with different crystal structures, tetragonal and monoclinic and thus a different distortion of the coordination tetrahedra, but the same cation distribution within the element specific cation sites co-exist. Thus, the structural transition between the kesterite and the wurtz–kesterite structure within the Cu2Zn(GexSi1−x)Se4 series is a distortion driven transition. The study identifies cation mutation in quaternary chalcogenides as a promising strategy beyond chalcopyrites and kesterites for low cost and environmentally friendly top absorbers in tandem solar cells.

Gurieva, Galina [Helmholtz Center Berlin for Mater↗
DOE OSTI2022

Designer Metasurfaces for Antireflective Applications Enabled by Advanced Nanoparticle Technology

Optic processing advances have shifted system limitations, with current constraints consisting of antireflective (AR) coatings applied to optics and the inability to reduce size, weight, and price. Metasurfaces, and more broadly metaoptics, provide an avenue to overcome these limitations. The ability to generate substrate-engraved metasurfaces that can be tailored is demonstrated within a broad design space to satisfy large-area AR applications for bandpass or broadband needs, demonstrating an optically equivalent surface roughness standard deviation of only 5 Å. Using an advanced nanoparticle masking approach, two metasurfaces are fabricated: 1) vertical sidewall nanofeature metasurface (MS) for AR applications at 351 nm, and 2) sloped sidewall MS designed for broadband AR applications. For the 351 nm MS, the reflectance is measured to be 0.127%. In the case of the sloped sidewall MS, the reflectance is measured to be <0.25% over 400–700 nm and <1% over 400–1100 nm. To the best of the authors’ knowledge, this is the first demonstration of a broadband AR capable of this performance. The tunability of these structures, with a parameter space spanning even more remarkable designs such as broader bands and acceptance angles, coupled with high laser-induced damage durability and mechanical robustness, displays the strength of metasurfaces for AR applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Surface Structural and Chemical Evolution of Layered LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA) under High Voltage and Elevated Temperature Conditions

This work reports new insights into structural and chemical evolution of surface phases of LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA) held at constant high voltages (up to 4.75 V) as well as high temperatures (60 °C) by correlating crystal structure using high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) imaging with chemistry using electron energy loss spectroscopy (EELS). We also followed the Al distribution within individual NCA particles by X-ray energy dispersive spectroscopy (EDS). The progression of these phases as a function of distance from the edge shows simultaneous evolution of crystal structures and chemistry from rocksalt to layered, forming a complete solid solution. We have also observed an extended disordered phase with rocksalt (Fm3m) symmetry in which quantitative electron energy loss spectroscopy reveals it to be an oxygen deficient cation disordered phase with chemical characteristics, as determined by EELS, similar to spinel. The formation of these disordered phases with cation and oxygen vacancies has been driven by surface oxygen loss caused by reactions with the electrolyte followed by cation migration from the octahedral 3a M (M = Ni, Co, Al) layer to the octahedral 3b Li layer. These surface rocksalt phases are not fully dense as they contain Al and Li as well as a high concentration of cation and oxygen vacancies. After discharge, Li is detected within these phases indicative that Li transport has occurred through these rocksalt phases. At 60 °C and 4.75 V a very large impedance rise is observed leading to complete cell irreversibility which is caused by significant metal dissolution from the cathode and formation of surface porosity. In the near surface region of some particles, a phase transformation from R3m (O3) to P3m1 (O1) is also observed which has become thermodynamically stable from complete delithiation as well as from local Al surface depletion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A new compact solid-state neutral particle analyser at ASDEX Upgrade: Setup and physics modeling

At ASDEX Upgrade (AUG), a new compact solid-state detector has been installed to measure the energy spectrum of fast neutrals based on the principle described by Shinohara et al. [Rev. Sci. Instrum. 75, 3640 (2004)]. The diagnostic relies on the usual charge exchange of supra-thermal fast-ions with neutrals in the plasma. Therefore, the measured energy spectra directly correspond to those of confined fast-ions with a pitch angle defined by the line of sight of the detector. Experiments in AUG showed the good signal to noise characteristics of the detector. It is energy calibrated and can measure energies of 40-200 keV with count rates of up to 140 kcps. The detector has an active view on one of the heating beams. The heating beam increases the neutral density locally; thereby, information about the central fast-ion velocity distribution is obtained. The measured fluxes are modeled with a newly developed module for the 3D Monte Carlo code F90FIDASIM [Geiger et al., Plasma Phys. Controlled Fusion 53, 65010 (2011)]. The modeling allows to distinguish between the active (beam) and passive contributions to the signal. Thereby, the birth profile of the measured fast neutrals can be reconstructed. This model reproduces the measured energy spectra with good accuracy when the passive contribution is taken into account.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1986

Monitoring of the MU radar antenna pattern by Satellite Ohzora (EXOS-C)

As the first attempt among MST (mesosphere stratosphere troposphere) type radars, the MU (middle and upper atmosphere) radar features an active phased array system. Unlike the conventional large VHF radars, in which output power of a large vacuum tube is distributed to individual antenna elements, each of 475 solid state power amplifier feeds each antenna element. This system configuration enables very fast beam steering as well as various flexible operations by dividing the antenna into independent subarrays, because phase shift and signal division/combination are performed at a low signal level using electronic devices under control of a computer network. The antenna beam can be switched within 10 microsec to any direction within the zenith angle of 30 deg. Since a precise phase alignment of each element is crucial to realize the excellent performance of this system, careful calibration of the output phase of each power amplifier and antenna element was carried out. Among various aircraft which may be used for this purpose artificial satellites have an advantage of being able to make a long term monitoring with the same system. An antenna pattern monitoring system for the MU radar was developed using the scientific satellite OHZORA (EXOS-C). A receiver named MUM (MU radar antenna Monitor) on board the satellite measures a CW signal of 100 to 400 watts transmitted from the MU radar. The principle of the measurement and results are discussed.

Sato, T.↗
NASA NTRS1992

A real-time robot arm collision avoidance system

A data structure and update algorithm are presented for a prototype real-time collision avoidance safety system simulating a multirobot workspace. The data structure is a variant of the octree, which serves as a spatial index. An octree recursively decomposes 3D space into eight equal cubic octants until each octant meets some decomposition criteria. The N-objects octree, which indexes a collection of 3D primitive solids is used. These primitives make up the two (seven-degrees-of-freedom) robot arms and workspace modeled by the system. As robot arms move, the octree is updated to reflect their changed positions. During most update cycles, any given primitive does not change which octree nodes it is in. Thus, modification to the octree is rarely required. Cycle time for interpreting current arm joint angles, updating the octree to reflect new positions, and detecting/reporting imminent collisions averages 30 ms on an Intel 80386 processor running at 20 MHz.

Shaffer, Clifford A.↗
DOE OSTI2020

High-Temperature and High-Pressure In Situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy

Nuclear magnetic resonance (NMR) spectroscopy represents an important technique to understand the structure and bonding environment of molecules. There exists a drive to conduct characterization experiment under conditions relevant to the chemical process of interest. To address this, in situ high-temperature, high-pressure MAS NMR methods have been developed to enable the observation of chemical interactions over a range of pressures (vacuum to several hundred bar) and temperatures (well below 0°C to 250°C). Further, the chemical identity of the samples can be comprised of solids, liquids, and gases or mixtures of the three. The method incorporates all-zirconia NMR rotors (sample holder for MAS NMR) which can be sealed using a threaded cap to compress an O-ring. This rotor exhibits great chemical resistance, temperature compatibility, low NMR background, and can withstand high pressures. These factors combined enable its use in a wide range of system combinations which permit its use in diverse fields as carbon sequestration, catalysis, material science, geochemistry, and biology. The flexibility of this technique makes it an attractive option for scientists from numerous disciplines.

Nuclear Magnetic Resonance, NMR, in situ, spectros↗
DOE OSTI2026

Site-Selective Modification of Lanthanum Oxychloride to Modulate Halide-Ion Conduction

Design principles for solid-state halide-ion conduction remain poorly defined despite the increasing importance of halide ions as charge carriers in a variety of energy storage and electrochemical computing technologies. Here, we employ a siteselective modification strategy in which aliovalent cations are preferentially introduced at the La 3+ crystallographic site of LaOCl in the 2c Wyckoff position, enabling controlled generation of chloride vacancies and modification of lattice dynamics to enhance chloride-ion conductivity. Aliovalent substitution of La 3+ with Mg 2+ , Ca 2+ , and Sr 2+ generates charge-compensating Cl vacancies while preserving the matlockite crystal structure. X-ray excited optical luminescence measurements with Dy 3+ as a reporter chromophore evidence vacancy-derived midgap electronic states and an extended energy range of radiation-less Auger electron emission corresponding to substantial modification of electronic structure and local electrostatic potentials. Ca alloying at 8−10 at. % increases the chloride-ion conductivity by three- to 4 orders of magnitude as compared to unalloyed LaOCl, whereas comparable amounts of Sr- and Mg-alloying in LaOCl imbue less pronounced conductivity enhancements. Temperature-dependent Raman spectroscopy measurements reveal that Ca- and Sr-alloying substantially soften the La−Cl sublattice and yield a more compliant crystal lattice that can deform to accommodate Cl-ion migration. Structure solutions derived from Rietveld refinements to powder Xray diffraction reveal larger O−La−Cl bond-angle deviations and enhanced out-of-plane cation displacements for Ca- and Sr-alloyed compositions as compared to Mg-alloyed LaOCl. Such local distortions enhance chloride-ion mobility by reshaping and flattening vacancy migration energy landscapes and by modulating lattice dynamics governing anion conduction. We further illustrate that coalloying of Ca with Mg and Sr induces a nonmonotonic conductivity−defect stoichiometry relationship that can be rationalized based on cooperative interactions. Together, these results establish site-selective aliovalent alloying of LaOCl as an effective route to halide-ion solid electrolytes and provide broadly generalizable design principles for site-selective modification to induce vacancy formation and lattice softening to engender facile anion transport

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗