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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

DISCOVERY OF AN ULTRA-DIFFUSE GALAXY IN THE PISCES-PERSEUS SUPERCLUSTER

We report the discovery of DGSAT I, an ultra-diffuse, quenched galaxy located 10.°4 in projection from the Andromeda galaxy (M31). This low-surface brightness galaxy (μ{sub V} = 24.8 mag arcsec{sup −2}), found with a small amateur telescope, appears unresolved in sub-arcsecond archival Subaru/Suprime-Cam images, and hence has been missed by optical surveys relying on resolved star counts, in spite of its relatively large effective radius (R{sub e}(V) = 12″) and proximity (15′) to the well-known dwarf spheroidal galaxy And II. Its red color (V − I = 1.0), shallow Sérsic index (n{sub V} = 0.68), and the absence of detectable Hα emission are typical properties of dwarf spheroidal galaxies and suggest that it is mainly composed of old stars. Initially interpreted as an interesting case of an isolated dwarf spheroidal galaxy in the local universe, our radial velocity measurement obtained with the BTA 6 m telescope (V{sub h} = 5450 ± 40 km s{sup −1}) shows that this system is an M31-background galaxy associated with the filament of the Pisces-Perseus supercluster. At the distance of this cluster (∼78 Mpc), DGSAT I would have an R{sub e} ∼ 4.7 kpc and M{sub V} ∼ −16.3. Its properties resemble those of the ultra-diffuse galaxies (UDGs) recently discovered in the Coma cluster. DGSAT I is the first case of these rare UDGs found in this galaxy cluster. Unlike the UDGs associated with the Coma and Virgo clusters, DGSAT I is found in a much lower density environment, which provides a fresh constraint on the formation mechanisms for this intriguing class of galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Anisotropic Thermal Transport in Quasi-2D Ruddlesden-Popper Hybrid Perovskite Superlattices

Two-dimensional hybrid metal-halide perovskites (2D-MHPs) have emerged as important solution-processed semiconductors with favorable optical and electronic properties for diverse applications in photovoltaics, optoelectronics, and spintronics. The quasi-2D layered structures, featuring large acoustic impedance mismatches between the organic and inorganic sublattices, are expected to result in distinct and anisotropic thermal transport properties along the cross-plane and in-plane directions. Here, we introduce transducer-free vibrational-pump-visible-probe (VPVP) approaches that enable accurate quantification of anisotropic thermal transport properties in various archetypical single-crystalline 2D-MHPs. Specifically, using VPVP spectroscopy and VPVP microscopy, we measure the anisotropic thermal diffusivities of 2D-MHPs with systematically varied Pb-I octahedral layer thicknesses, as well as organic spacer types and lengths, revealing how these structural parameters alter the cross-plane and in-plane thermal transport properties in distinct ways. While diffuse interface scattering plays an important role in dictating cross-plane thermal transport, in-plane thermal transport is primarily determined by phonon transport within interconnected inorganic layers. Density functional theory incorporating four-phonon scatterings provides further insight into the low thermal conductivity and modest thermal conduction anisotropy in 2D-MHPs. Our work demonstrates a new all-optical and noncontact method, which requires minimal sample preparation and allows direct visualization of cross-plane and in-plane thermal transport, potentially compatible with sample environments. The demonstrated VPVP approaches can advance understanding of thermal transport in 2D-MHPs as well as wide-ranging hybrid and polymeric semiconductors beyond 2D-MHPs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Experimental measurements of soot formation in fuel-rich homogeneous mixtures using an optical rapid compression machine

Advanced combustion strategies are necessary for the use of more environmentally sustainable fuels than traditional diesel. Alcohol fuels and alcohol/gasoline blends are of particular interest as they are readily available in the marketplace. Heavy-duty engines typically use compression ignited, conventional diesel mixing controlled combustion. Mixing controlled combustion features a non-premixed diffusion flame with a wide range of local equivalence ratios, leading to potentially high rates of soot formation. This work studies the sooting behavior of iso-octane and ethanol as a function of equivalence ratio. Measurements are carried out in a rapid compression machine (RCM) and are reported for pre-ignition conditions of 10–30 bar and temperatures of 650–800 K. Theoretical equilibrium and bulk gas temperatures are calculated for both fuels. These data are used to identify the critical equivalence ratio, the lowest equivalence ratio where soot is detected with a single-pass laser extinction diagnostic. The critical equivalence ratio for iso-octane varies between 1.82 and 1.77 for compressed pressures of 10 and 20 bar, respectively. Ethanol, sometimes considered sootless, had a critical equivalence ratio between 2.37 and 2.12 for compressed pressures of 20 and 30 bar, respectively. When characterizing soot formation by oxygenated equivalence ratio, the critical equivalence ratios for ethanol approach those of iso-octane. This suggests the oxygenated nature of alcohol fuels reduces sooting tendency, but other factors such as fuel molecular structure and morphology may play a role. It was observed that ethanol will form soot at equivalence ratios only slightly higher than iso-octane, which could have implications in mixing controlled combustion. It was seen for both fuels that soot formation is pressure sensitive, with the critical equivalence ratio being inversely proportional to compressed pressure and the rate of soot formation. Future work will investigate the sooting behavior of gasoline/ethanol blends.

02 PETROLEUM↗
DOE OSTI2020

High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite

Abstract We show that the onset pressure for appreciable conductivity in layered copper‐halide perovskites can decrease by ca. 50 GPa upon replacement of Cl with Br. Layered Cu–Cl perovskites require pressures >50 GPa to show a conductivity of 10 −4 S cm −1 , whereas here a Cu–Br congener, (EA) 2 CuBr 4 (EA=ethylammonium), exhibits conductivity as high as 2×10 −3 S cm −1 at only 2.6 GPa, and 0.17 S cm −1 at 59 GPa. Substitution of higher‐energy Br 4p for Cl 3p orbitals lowers the charge‐transfer band gap of the perovskite by 0.9 eV. This 1.7 eV band gap decreases to 0.3 eV at 65 GPa. High‐pressure X‐ray diffraction, optical absorption, and transport measurements, and density functional theory calculations allow us to track compression‐induced structural and electronic changes. The notable enhancement of the Br perovskite's electronic response to pressure may be attributed to more diffuse Br valence orbitals relative to Cl orbitals. This work brings the compression‐induced conductivity of Cu‐halide perovskites to more technologically accessible pressures.

Jaffe, Adam↗
DOE OSTI2026

Oxygen Vacancy Evolution at Li x V 2 O 5 /LiPON Solid State Electrochemical Interfaces Using Depth Resolved Cathodoluminescence Spectroscopy

The formation of oxygen vacancies at buried LiPON/ Li x V 2 O 5 interfaces has been observed on a near-nanometer scale and nondestructively using depth-resolved cathodoluminescence spectroscopy (DRCLS) and interfacial markers. Before electrochemical cycling, as-deposited LiPON/Li x V 2 O 5 exhibits a 1.6 eV defect optical emission, which density functional theory calculations identify as originating from oxygen vacancies. This defect appears first within a few nanometers of the buried LiPON/Li x V 2 O 5 interface without cycling, indicating that spontaneous O diffusion from the Li x V 2 O 5 lattice into LiPON may have caused these interface-localized oxygen vacancy defects. DRCLS measured the intensity and spatial distribution of this oxygen vacancy signal as a function of electrochemical cycling in a LiPON/Li x V 2 O 5 half-cell, showing oxygen vacancy signal increasing and moving deeper into the electrode with increased cycle number. Significant electrochemical irreversibility was also observed, with poor Coulombic efficiency and a 15% drop in capacity over 50 cycles. Theoretical simulations predict that the presence of oxygen vacancies increases the energy barrier for lithium diffusion significantly, indicating that this aggregation of oxygen vacancies could be another battery degradation mechanism accompanying lithiation induced phase changes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Measurements of nonequilibrium interatomic forces using time-domain x-ray scattering

Here, we demonstrate an experimental approach to determining the excited-state interatomic forces using femtosecond x-ray pulses from an x-ray free-electron laser. We determine experimentally the excited-state interatomic forces that connect photoexcited carriers to the nonequilibrium lattice dynamics in the prototypical Peierls-distorted material, bismuth. The forces are obtained by a constrained least-squares fit of a pairwise interatomic force model to the excited-state phonon dispersion relation as measured by the time- and momentum-resolved x-ray diffuse scattering. We find that photoexcited carriers weaken predominantly the nearest-neighbor forces, which drives the measured softening of the transverse acoustic modes throughout the Brillouin zone as well as the zone-center A 1g optical mode. This demonstrates a bond-selective approach to measuring electron-phonon coupling relevant to a broad range of photoinduced phase transitions and transient light-driven states in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Phonon coupling to dynamic short-range polar order in a relaxor ferroelectric near the morphotropic phase boundary

We report neutron inelastic scattering experiments on single-crystal PbMg 1/3 Nb 2/3 O 3 doped with 32% PbTiO 3 , a relaxor ferroelectric that lies close to the morphotropic phase boundary. When cooled under an electric field E∥ [001] into tetragonal and monoclinic phases, the scattering cross section from transverse acoustic (TA) phonons polarized parallel to E weakens and shifts to higher energy relative to that under zero-field-cooled conditions. Likewise, the scattering cross section from transverse optic (TO) phonons polarized parallel to E weakens for energy transfers 4 ≤ ℏω ≤ 9 meV. However, TA and TO phonons polarized perpendicular to E show no change. This anisotropic field response is similar to that of the diffuse scattering cross section, which, as previously reported, is suppressed when polarized parallel to E but not when polarized perpendicular to E. Lastly, our findings suggest that the lattice dynamics and dynamic short-range polar correlations that give rise to the diffuse scattering are coupled.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Rapid fabrication of hierarchically structured supramolecular nanocomposite thin films in one minute

Functional nanocomposites containing nanoparticles of different chemical compositions may exhibit new properties to meet demands for advanced technology. It is imperative to simultaneously achieve hierarchical structural control and to develop rapid, scalable fabrication to minimize degradation of nanoparticle properties and for compatibility with nanomanufacturing. The assembly kinetics of supramolecular nanocomposite in thin films is governed by the energetic cost arising from defects, the chain mobility, and the activation energy for inter-domain diffusion. By optimizing only one parameter, the solvent fraction in the film, the assembly kinetics can be precisely tailored to produce hierarchically structured thin films of supramolecular nanocomposites in approximately one minute. Moreover, the strong wavelength dependent optical anisotropy in the nanocomposite highlights their potential applications for light manipulation and information transmission. The present invention opens a new avenue in designing manufacture-friendly continuous processing for the fabrication of functional nanocomposite thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Convergence Study of LR-NDA Using Fourier Analysis

Numerical solution of neutron transport equations is challenging. It often requires acceleration techniques to improve computational efficiency. In the last two decades, various acceleration methods have been developed. Among those methods, the coarse-mesh nonlinear diffusion acceleration (CM-NDA) technique, or commonly known as coarse-mesh finite difference (CMFD), becomes one of the most popular methods due to its effectiveness and simplicity in recent years. However, CM-NDA will lose its effectiveness and could become unstable when the mesh optical thickness becomes large. There exists a number of stabilization techniques to improve the stability of CM-NDA, such as pCMFD and most recent odCMFD. Wang et al., proposed a new CM-NDA scheme, LR-NDA, which employs local refinement on the coarse mesh. The new scheme can significantly improve the effectiveness and stability of CM-NDA. In this paper, we perform a convergence study of LR-NDA using Fourier analysis. The spectral radius calculated from Fourier analysis is consistent with the numerical results for a 1-D fixed source model problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Raman Spectroscopy to Detect and Measure NOW Pheromones ("Orchard in a box")

Insect sex pheromones are chemical compounds that insects release to attract mates over distances of hundreds of meters or even kilometers, in complete darkness and without any audible signals. Use of synthetic forms of key compounds have in some cases become an essential component of monitoring and/or managing key pests of agricultural crops, including navel orangeworm (Amyelois transitella) (NOW) in California tree nuts. There are currently multiple commercially available mating disruption products available for NOW and recent studies have demonstrated that they can be effectively used to reduce crop damage. How mating disruption works is not fully established and likely varies across products and target species. For instance, it is not well understood how synthetic pheromones compete with natural pheromones and, in the case of monitoring, how efficaciously the insect follows the diffusing plumes, especially across large blocks and at plot borders. Whether an aerosol puffer is used for mating disruption or lure for monitoring population development, we currently lack the ability to fully understand how these synthetic pheromone compounds diffuse away from their point-source of emission – and subsequently how this might affect the efficacy of mating disruption and/or the accuracy of monitoring efforts. In response to these unknowns, Raman spectroscopy may offer a way to detect synthetic pheromone because of its analytical properties and recent technological advancements. In combination with nanostructured probes, RS has demonstrated the capability to detect volatiles at extremely low concentrations. We proposed to evaluate the use of Raman for the detection of synthetic and natural NOW pheromones and, were that to be successful, use this tool in subsequent years to measure pheromone diffusion in orchards.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Investigations of Polymethacrylate Tribochemical Films Using X-Ray Spectroscopy and Optical Profilometry

This study investigates the elemental composition and surface morphology of solid tribochemical films formed on steel surfaces. The reversible addition-fragmentation chain transfer (RAFT) method was used to synthesize nine different metal-free polymers, which were blended into commercial base oils. The polymers were either homopolymers of dodecyl methacrylate and ethylhexyl methacrylate or were co-polymers of these monomers with six polar monomers. After tribological testing at 100 degrees C using the ball-on-flat geometry, the resulting tribochemical films were imaged using scanning electron microscopy (SEM) and optical microscopy. The resulting tribochemical films have thicknesses around 50-100 nm. Two of the films corresponding to small (P1-imidazole-containing copolymer) and large (P3-less polar homopolymer) wear were cross-sectioned using focused ion beam (FIB) and analyzed for elemental composition using energy-dispersive X-Ray (EDX) mapping. Oxygen and nitrogen enrichment was observed, consistent with the relative chemical composition of the precursor polymers. Transmission electron microscopy (TEM) evidence suggests that at the worn surface, some organic elements penetrate or are mixed into the steel substrate giving an interlocking appearance. The two samples examined with TEM showed that P1 tribofilm is diffused or mixed with the steel substrate more so than P3, suggesting a stronger affinity and contact during tribofilm formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Diffuse X-ray scattering from polished silicon: application of the distorted wave Born approximation

Measured diffuse X-ray scattering data for a `smooth' as well as for a `rough' silicon sample were fit to theoretical expressions within the distorted wave Born approximation (DWBA). Data for the power spectral density (PSD) for both samples were also obtained by means of atomic force microscopy and optical interferometry. The Fourier transforms of trial correlation functions were fit to the PSD data and then applied to the DWBA formalism. The net correlation functions needed to fit the PSD data for each sample comprised the sum of two terms with different cutoff lengths and different self-affine fractal exponents. At zero distance these correlation functions added up to yield net values of σ 2 = (2) 2 and (71) 2 Å 2 for the smooth and rough samples, respectively. X-ray scattering data were obtained at beamline 1-BM of the Advanced Photon Source. Data and fits at values of q z = 0.05 and 0.10 Å −1 for the smooth sample are reported. Good fits for the smooth sample were obtained at both q z values simultaneously, that is, identical fitting parameters were applied at both values of q z . The smooth sample also exhibited weak Yoneda wings and a clear distinction between the strong specular scattering and the weak diffuse scattering. Data for the rough sample were qualitatively different and exhibited very weak scattering at the specular condition in contrast to extremely large Yoneda wings. Fits for the rough sample are reported for q z = 0.04, 0.05, and 0.06 Å −1 . Although the large Yoneda wings could be fit quite well in both position and amplitude, scattering near the specular condition could not be equally well fit by applying the same fitting parameters at all values of q z . Albeit imperfect, best-fitting results at the specular condition were obtained by invoking only diffuse scattering, that is, without including a separate theoretical expression for specular scattering.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Doping- and Strain-Dependent Electrolyte-Gate-Induced Perovskite to Brownmillerite Transformation in Epitaxial La 1– x Sr x CoO 3–δ Films

Much recent attention has focused on the voltage-driven reversible topotactic transformation between the ferromagnetic metallic perovskite (P) SrCoO 3-δ and oxygen-vacancy-ordered antiferromagnetic insulating brownmillerite (BM) SrCoO 2.5 . This is emerging as a paradigmatic example of the power of electrochemical gating (using, e.g., ionic liquids/gels), the wide modulation of electronic, magnetic, and optical properties generating clear application potential. SrCoO 3 films are challenging with respect to stability, however, and there has been little exploration of alternate compositions. Here, we present the first study of ion-gel-gating-induced P. BM transformations across almost the entire La 1-x SrxCoO 3 phase diagram (0 ≤ x ≤ 0.70), under both tensile and compressive epitaxial strain. Electronic transport, magnetometry, and operando synchrotron X-ray diffraction establish that voltage-induced P → BM transformations are possible at essentially all x, including x ≤ 0.50, where both P and BM phases are highly stable. Under small compressive strain, the transformation threshold voltage decreases from approximately +2.7 V at x = 0 to negligible at x = 0.70. Both larger compressive strain and tensile strain induce further threshold voltage lowering, particularly at low x. The P → BM threshold voltage is thus tunable, via both composition and strain. At x = 0.50, voltage-controlled ferromagnetism, transport, and optical transmittance are then demonstrated, achieving Curie temperature and resistivity modulations of similar to 220 K and at least 5 orders of magnitude, respectively, and enabling estimation of the voltage-dependent Co valence. The results are analyzed in the context of doping- and strain-dependent oxygen vacancy formation energies and diffusion coefficients, establishing that it is thermodynamic factors, not kinetics, that underpin the decrease in the threshold voltage with x, that is, with increasing formal Co valence. These findings substantially advance the practical and mechanistic understanding of this voltage-driven transformation, with fundamental and technological implications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Evaluation of light collection from highly scattering media using wavelength-shifting fibers

Opaque scintillators are designed to have a short scattering length such that scintillation photons are probabilistically confined to a small region of space about their origin. The benefit of this feature is that information on the interaction event topology can be recorded with greater fidelity than in traditional highly transparent media with sensors at large distances from the light production region. Opaque scintillator detectors rely on wavelength-shifting fibers to extract the scintillation light; however, the efficiency of light collection has not yet been directly measured in experiment. We measured the efficiency of light collection as a function of the optical parameters of an opaque liquid and the distance from the origin of the light to the fiber. We use the experimental data to validate a Monte Carlo model of light transport and collection and discuss a simple diffusion model that reproduces the results of Monte Carlo simulation with high fidelity. Furthermore, this combination of validated models has the potential for use in predictions of performance in various designs of future opaque scintillator detectors such as LiquidO.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Enhancement of Exciton–Phonon Scattering from Monolayer to Bilayer WS 2

Layered transition metal dichalcogenides exhibit the emergence of a direct bandgap at the monolayer limit along with pronounced excitonic effects. In these materials, interaction with phonons is the dominant mechanism that limits the exciton coherence lifetime. Exciton-phonon interaction also facilitates energy and momentum relaxation, and influences exciton diffusion under most experimental conditions. However, the fundamental changes in the exciton–phonon interaction are not well understood as the material undergoes the transition from a direct to an indirect bandgap semiconductor. Here, we address this question through optical spectroscopy and microscopic theory. In the experiment, we study room-temperature statistics of the exciton line width for a large number of mono- and bilayer WS 2 samples. We observe a systematic increase in the room-temperature line width of the bilayer compared to the monolayer of 50 meV, corresponding to an additional scattering rate of ~0.1 fs –1 . We further address both phonon emission and absorption processes by examining the temperature dependence of the width of the exciton resonances. Using a theoretical approach based on many-body formalism, we are able to explain the experimental results and establish a microscopic framework for exciton–phonon interactions that can be applied to naturally occurring and artificially prepared multilayer structures.

2D materials↗
DOE OSTI2025

Synthesis of a series of rare-earth-based multi-anion chalcogenide iodides RE 3 Si 2 Se x S 8− x I (RE = La, Ce, Pr, and Nd) using the flux-assisted boron–chalcogen mixture method

Single crystals and polycrystalline powders of rare earth mixed chalcogenide iodides La 3 Si 2 Se 1.21 S 6.79 I, Ce 3 Si 2 Se 1.39 S 6.61 I, Pr 3 Si 2 Se 1.22 S 6.78 I, and Nd 3 Si 2 Se 1.18 S 6.82 I were prepared using the reactive flux-assisted boron–chalcogen mixture (BCM) method at 850 °C. All compounds crystallized in the monoclinic crystal system, space group C2/c (space group number 15). The series adopts the La 3 Si 2 O 8 Cl structure type, containing isolated SiQ 4 tetrahedra connected by REQ 8 (RE = La, Ce, Pr and Nd) polyhedra; this arrangement creates tunnels that are filled by I atoms. The partial substitution of S by Se was carried out to modulate the optical properties. Phase pure samples and uniform solid solutions were obtained for all compositions as determined using powder X-ray diffraction patterns. Polycrystalline powders were used for physical property measurements, including magnetic susceptibility and UV-Vis diffuse reflectance. The solid-state UV-Vis data for the polycrystalline La 3 Si 2 Se 1.21 S 6.79 I, Ce 3 Si 2 Se 1.39 S 6.61 I, and Pr 3 Si 2 Se 1.22 S 6.78 I samples revealed band gaps of E g = 2.5(1), 2.2(1), and 2.3(1) eV, typical of semiconductors. Magnetic measurements indicated that Ce 3 Si 2 Se 1.39 S 6.61 I and Nd 3 Si 2 Se 1.18 S 6.82 I exhibit paramagnetic behavior with slightly negative Weiss constants θ = −25 and −38. The photoluminescence spectrum of Ce 3 Si 2 Se 1.39 S 6.61 I exhibits a broad emission band around ∼493 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

The influence of pilot injection on high-temperature ignition processes and early flame structure in a high-speed direct injection diesel engine

Simultaneous high-speed natural luminosity and OH* chemiluminescence imaging is used to characterize high-temperature ignition processes in conventional diesel combustion with a pilot-main injection strategy in a single-cylinder, light-duty optical diesel engine. High-speed imaging provides temporally and spatially resolved information in terms of high-temperature ignition processes and flame structure during the combustion. Using these imaging measurements, the high-temperature inflammation and the diffusion flame development processes are analyzed. The chemiluminescence signal shows a hot, reactive mixture, which gradually decreases after the peak release of the pilot combustion and lasts long after the apparent heat release has ended. Therefore, when the reactive pilot mixture exists near the main injection jets, the high-temperature ignition of the main injection is apparently initiated through interactions with the reactive pilot mixture. High-temperature autoignition, another process by which ignition of the main injection occurs, is observed in main injection plumes where the chemiluminescence signal of the reactive pilot mixture becomes very weak or is absent at the start of main injection. As the reaction of the main injection continues, the non-premixed main injection jet structure is developed and the high-temperature reacting region expands throughout the jet.

Park, Cheolwoong↗