Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Crystal Characterization”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 793 records · Page 44

Thermal Mechanical Stability of Single-Crystal-Oxide Refractive Concentrators Evaluated for High-Temperature Solar-Thermal Propulsion

Recently, refractive secondary solar concentrator systems were developed for solar thermal power and propulsion (ref. 1). Single-crystal oxides-such as yttria-stabilized zirconia (Y2O3-ZrO2), yttrium aluminum garnet (Y3Al5O12, or YAG), magnesium oxide (MgO), and sapphire (Al2O3)-are candidate refractive secondary concentrator materials. However, the refractive concentrator system will experience high-temperature thermal cycling in the solar thermal engine during the sun/shade transition of a space mission. The thermal mechanical reliability of these components in severe thermal environments is of great concern. Simulated mission tests are important for evaluating these candidate oxide materials under a variety of transient and steady-state heat flux conditions. In this research at the NASA Lewis Research Center, a controlled heat flux test approach was developed for investigating the thermal mechanical stability of the candidate oxide. This approach used a 3.0-kW continuous-wave (wavelength, 10.6 mm) carbon dioxide (CO2) laser (ref. 2). The CO2 laser is especially well-suited for single-crystal thermal shock tests because it can directly deliver well-characterized heat energy to the oxide surfaces. Since the oxides are opaque at the 10.6-mm wavelength of the laser beam, the light energy is absorbed at the surfaces rather than transmitting into the crystals, and thus generates the required temperature gradients within the specimens. The following figure is a schematic diagram of the test rig.

Jacobson, Nathan S.↗

Leveraging the redox activities of cerium and dibenzotetrathiafulvalene to discover a photo-responsive magnetic material

Stimuli-responsive changes in lanthanide-based materials are a promising research direction. In this study, [DBTTF] 4 [Ce 2 Cl 10 ] DBTTF = dibenzotetrathiafulvalene (1) was synthesized by a light-induced crystallization, where photo-oxidation of DBTTF enables formation of the cerium dimer [Ce 2 Cl 10 ] 4− . Intermolecular interactions between the stacked organic units of the crystal result in charge transfer bands in the visible-NIR (near-infrared) region, evident in the solid-state absorption spectrum upon comparison with the solution spectrum. The assignments of the sublattice oxidation states were made with single-crystal X-ray diffraction (SC-XRD) structural characterization, Raman spectroscopy, X-ray absorption spectroscopy, and magnetometry. Continuous 532 nm laser irradiation of the microcrystalline solid modulates the redox states in 1, leading to ∼40% reduction in the observed magnetization at 2 K. Density functional theory PBE+U/HSE06 band structure calculations predict Mott insulating behavior in 1, with a bandgap of 0.54/0.81 eV, and further support the conjecture that the observed photo-induced change in magnetization results from electron transfer from the [Ce 2 Cl 10 ] 4− anions to the π-stacked [DBTTF] 2 2+ organic dimer subunits. An enhancement in conductivity is similarly observed upon 532 nm irradiation, determined by single-crystal transport measurements. The findings reveal that photo-responsive lanthanide-based materials can be achieved by integration of redox-active organic moieties with redox-active lanthanide cations for the realization of switchable, photo-magnetic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetism of Nd 2 O 3 single crystals near the Néel temperature

Single crystals of Nd 2 O 3 were grown and characterized using neutron scattering and thermodynamic measurements. Nd 2 O 3 has long-range antiferromagnetic order below T N =0.55 K and specific-heat measurements have demonstrated that a significant amount of the magnetic entropy is released above T N . Inelastic neutron scattering experiments reveal a magnetic mode(s) with little dispersion peaked at ≈0.37meV that is of greatest intensity below T N but persists above 2T N . This persistence of dynamic correlations is likely related to frustrated interactions associated with the nearly ideal stacked triangular lattice geometry of J eff =12 spins on Nd 3+ ions. Furthermore, the magnetization is observed to be strongly anisotropic at all temperatures due to crystal field effects, with easy-plane anisotropy observed. Additionally, a noncompensated magnetic structure is inferred from the temperature dependence of the magnetization when a magnetic field of sufficient strength is applied within the basal plane near T N , and the evolution of the long-range order is summarized in a temperature-field phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Defect chemistry and characterization of Hg(1-x)Cd(x)Te

Undoped mercury cadmium telluride crystals were subjected to high temperature equilibration at temperatures ranging from 400 C to 655 C in various Hg atmospheres. Hall effect and mobility measurements were carried out on the crystals quenched to room temperature subsequent to the high temperature equilibration. The variation of the hole concentration in the cooled crystals at 77 K as a function of the partial pressure of Hg at the equlibration temperatures, together with a comparison of the hole mobility in the undoped samples with that in the copper and phosphorous doped samples yielded a defect model for the undoped crystals, according to which, the undoped crystals are essentially intrinsic at the equilibration temperatures and the native acceptor defects are doubly ionized. Native donor defects appear to be negligible in concentration, implying that the p to n conversion in these alloys is mainly due to residual foreign donor impurities. The thermodynamic constants for the intrinsic excitation process as well as for the incorporation of the doubly ionized native acceptor defects in the undoped crystals were obtained.

Vydyanath, H. R.↗

Mass transport and crystal growth of the mixed ZrS2-ZrSe2 system

The solid solubility of the ZrS2-ZrSe2 system was reinvestigated by annealing techniques to establish the relationship between composition and lattice parameters. Mixed crystals of ZrS(2x)Se2(1-x) for selected compositions of the source material were grown by chemical vapor transport and characterized by X-ray diffraction and microscopic methods. The mass transport rates and crystal growth of ZrSSe were investigated and compared with those of other compositions. The mass fluxes of the mixed system showed an increase with increasing selenium content. The transport products were richer in ZrSe2 than the residual source materials when the ZrSe2 content of the starting materials was greater than 50 mol.-pct. The mass transport rates revealed an increasing mass flux with pressure.

Wiedemeier, Heribert↗

An Integrated Deposition and Passivation Strategy for Controlled Crystallization of 2D/3D Halide Perovskite Films

Abstract This work introduces a simplified deposition procedure for multidimensional (2D/3D) perovskite thin films, integrating a phenethylammonium chloride (PEACl)‐treatment into the antisolvent step when forming the 3D perovskite. This simultaneous deposition and passivation strategy reduces the number of synthesis steps while simultaneously stabilizing the halide perovskite film and improving the photovoltaic performance of resulting solar cell devices to 20.8%. Using a combination of multimodal in situ and additional ex situ characterizations, it is demonstrated that the introduction of PEACl during the perovskite film formation slows down the crystal growth process, which leads to a larger average grain size and narrower grain size distribution, thus reducing carrier recombination at grain boundaries and improving the device's performance and stability. The data suggests that during annealing of the wet film, the PEACl diffuses to the surface of the film, forming hydrophobic (quasi‐)2D structures that protect the bulk of the perovskite film from humidity‐induced degradation.

2D/3D perovskites↗

Large Non‐Resonant Infrared Optical Second Harmonic Generation in Bulk Crystals of Van der Waals Semiconductor, SnP 2 Se 6

2D van der Waals (vdW) materials have emerged as a highly promising candidates for nonlinear optical (NLO) applications. This study presents the synthesis, comprehensive linear optical, and optical second harmonic generation (SHG) characterization of a novel 2D vdW semiconductor SnP2Se6 in its bulk single crystal form. It exhibits an indirect bandgap of ≈1.47 eV and an exceptional non-resonant SHG coefficient of d 33 ∼ −222 ± 30 pm V −1 at a fundamental wavelength of 2 µm, which is ≈7 times larger than that of the commercial AgGaSe 2 with a comparable bandgap. Density functional theory (DFT) calculations of the linear and nonlinear optical properties exhibit reasonable agreement with the experimental measurements, revealing the chemical origin of the enhanced properties. Moreover, SnP 2 Se 6 can exhibit both type-I and type-II phase matching over a wide spectral range, fulfilling one of the key criteria for an ideal NLO crystal. These exceptional properties position SnP 2 Se 6 as a highly promising candidate for NLO applications.

36 MATERIALS SCIENCE↗

gC1qR/C1qBP/HABP-1: Structural Analysis of the Trimeric Core Region, Interactions With a Novel Panel of Monoclonal Antibodies, and Their Influence on Binding to FXII

The protein gC1qR/C1qBP/HABP-1 plays an essential role in mitochondrial biogenesis, but becomes localized at the cellular surface in numerous pathophysiological states. When this occurs on endothelial cells, surface-exposed gC1qR activates the classical pathway of complement. It also promotes assembly of a multi-protein complex comprised of coagulation factor XII (FXII), pre-kallikrein (PK), and high-molecular weight kininogen (HMWK) that activates the contact system and the kinin-generating system. Since surface-exposed gC1qR triggers intravascular inflammatory pathways, there is interest in identifying molecules that block gC1qR function. Here we further that objective by reporting the outcome of a structure/function investigation of gC1qR, its interactions with FXII, and the impact of a panel of monoclonal anti-gC1qR antibodies on FXII binding to gC1qR. Although deletion mutants have been used extensively to assess gC1qR function, none of these proteins have been characterized structurally. To that end, we determined a 2.2 Å resolution crystal structure of a gC1qR mutant lacking both of its acidic loops, but which retained nanomolar-affinity binding to FXII and FXIIa. This structure revealed that the trimeric gC1qR assembly was maintained despite loss of roughly thirty residues. Characterization of a novel panel of anti-gC1qR monoclonal antibodies identified several with biochemical properties distinct from previously described antibodies, as well as one which bound to the first acidic loop of gC1qR. Intriguingly, we found that each of these antibodies could partly inhibit binding of FXII and FXIIa to gC1qR. Based on these results and previously published studies, we offer new perspectives for developing gC1qR inhibitors.

60 APPLIED LIFE SCIENCES↗

Optimization of La 2–x Sr x CuO 4 Single Crystal Film Growth via Molecular Beam Epitaxy

Atomic layer-by-layer molecular beam epitaxy (ALL-MBE) combined with ozone is one of the best methods to fabricate single-crystal thin films of complex oxides. Cuprate such as La 2-x Sr x CuO 4 (LSCO) is a representative complex-oxide high-temperature superconductor (HTS) material. Our group utilizes this method to produce high-quality single-crystal HTS films with atomically smooth surfaces and interfaces. In addition, ALL-MBE enables us to engineer multilayer heterostructures with atomic precision. This allows the fabrication of tunnel junctions, various nanostructures, and other HTS devices of interest for superconducting electronics. We have synthesized over three thousand LSCO thin films in the past two decades. These films’ structural and electronic properties have been studied and characterized by various methods. Here, we distill the extensive experience we accumulated into a step-by-step protocol to fabricate atomically perfect LSCO films. The recipe includes substrate preparation, ozone generation and distillation, source calibration, the in situ monitoring of the film synthesis, post-growth annealing, and ex situ characterization. It discloses a reproducible way to fabricate single-crystal LSCO films for basic research and HTS electronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Correlating dynamic microstructure to observed color in electrophoretic displays via in situ small-angle x-ray scattering

Electrophoretic deposition (EPD) is an industrially relevant and scalable technique used to form particle deposits from colloidal suspensions. Highly concentrated particle suspensions generally prevent real-time in situ microscopy observations which limit the characterization of EPD films to ex situ, or postprocessed, laboratory techniques. For dynamic systems, such as tunable amorphous photonic crystals (APCs), only reversible deposits are formed during the EPD process. Since reversible deposits cannot be characterized with standard ex situ methods, the particle-particle and particle-field interactions that govern the displayed color and crystallinity of these systems are not well understood. In this paper, we present in situ small-angle x-ray scattering and UV-Vis techniques for measuring both the structural and optical response of an APC under applied electric fields. Furthermore, we also develop a computational model based on colloidal interactions to explain the observed change in the interparticle spacing of APCs due to the applied electric field which correlates to displayed color. Ultimately, this work provides a new in situ characterization method that could be expanded for other dynamic, tunable colloidal systems.

36 MATERIALS SCIENCE↗

A spatial beam property analyzer based on dispersive crystal diffraction for low-emittance X-ray light sources

Abstract The advent of low-emittance synchrotron X-ray sources and free-electron lasers urges the development of novel diagnostic techniques for measuring and monitoring the spatial source properties, especially the source sizes. This work introduces an X-ray beam property analyzer based on a multi-crystal diffraction geometry, including a crystal-based monochromator and a Laue crystal in a dispersive setting to the monochromator. By measuring the flat beam and the transmitted beam profiles, the system can provide a simultaneous high-sensitivity characterization of the source size, divergence, position, and angle in the diffraction plane of the multi-crystal system. Detailed theoretical modeling predicts the system’s feasibility as a versatile characterization tool for monitoring the X-ray source and beam properties. The experimental validation was conducted at a bending magnet beamline at the Swiss Light Source by varying the machine parameters. A measurement sensitivity of less than 10% of a source size of around 12 µm is demonstrated. The proposed system offers a compact setup with simple X-ray optics and can also be utilized for monitoring the electron source.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Determination of particle-dependent light response for defining detector response functions

This study comprehensively characterizes two scintillation detectors, an organic deuterated liquid and a stilbene crystal, concerning their response to charged particles such as electrons, protons, alphas, and carbon nuclei. The Birks function was used to determine the detectors’ response to charged particles, enabling the determination of particle-dependent light responses. The particle-dependent light characterization was used to determine detector response functions (DRF) using Geant in combination with Gamma Detector Response and Analysis Software (GADRAS). These DRFs enhance GADRAS by enabling full spectral analysis functionality for previously underrepresented detector materials. Additionally, neutron-specific DRFs are determined for neutron energy spectrum unfolding applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Description of Cloud Characterization and Icing Test for a 3D Heated Test Article at the NASA Icing Research Tunnel

This paper describes the cloud characterization and icing tests conducted with a 3D heated test article in Winter/Spring 2022 at the NASA Icing Research Tunnel. The intent is to present analyzed results from these recently conducted tests in a future technical paper. The test article, whose geometry is representative of an inter-compressor duct and strut region of a turbofan engine, has been designed and constructed to study the physics of supercooled water icing and ice crystal icing. The surfaces of the Simulated Inter-compressor Duct Research Model (SIDRM) can be heated to simulate the warm surfaces of the turbofan inter-compressor duct. The test article is instrumented with heaters, heat flux gauges, and thermocouples, while a 3D laser scanner, cameras, a scale to measure ice mass, and other instruments will aid in characterizing the icing behavior. The aim of these tests is to generate ice accretions on the SIDRM test article under well-characterized conditions. To that end, a suite of instruments was utilized to characterize the ice crystal clouds at the test section in a separate test series. The icing measurements collected during the SIDRM model tests will be used to develop and validate 3D computational engine icing tools, such as GlennICE, that predictively assess the onset and growth of ice. One of the goals of the sponsoring NASA project is to develop simulation models and tools that can assist in the design and certification of engines for flight in icing conditions in a cost effective way.

Ice crystal icing↗

Description of Cloud Characterization and Icing Tests for a 3D Heated Test Article at the NASA Icing Research Tunnel

This paper describes the cloud characterization and icing tests conducted with a 3D heated test article in Winter/Spring 2022 at the NASA Icing Research Tunnel. The intent is to present analyzed results from these recently conducted tests in a future technical paper. The test article, whose geometry is representative of an inter-compressor duct and strut region of a turbofan engine, has been designed and constructed to study the physics of supercooled water icing and ice crystal icing. The surfaces of the Simulated Inter-compressor Duct Research Model (SIDRM) can be heated to simulate the warm surfaces of the turbofan inter-compressor duct. The test article is instrumented with heaters, heat flux gauges, and thermocouples, while a 3D laser scanner, cameras, a scale to measure ice mass, and other instruments will aid in characterizing the icing behavior. The aim of these tests is to generate ice accretions on the SIDRM test article under well-characterized conditions. To that end, a suite of instruments was utilized to characterize the ice crystal clouds at the test section in a separate test series. The icing measurements collected during the SIDRM model tests will be used to develop and validate 3D computational engine icing tools, such as GlennICE, that predictively assess the onset and growth of ice. One of the goals of the sponsoring NASA project is to develop simulation models and tools that can assist in the design and certification of engines for flight in icing conditions in a cost effective way.

Ice crystal icing, heated test article, engine ici↗

Theoretical studies on the relationship between the thermionic work functions of refractory-metal intermetallic compounds and their electronic and crystal structures Final summary report

The Group VIA-Re binary systems are characterized by the presence of several intermediate phases. The u phase is present in all of the systems, but the a-Mn phases occur in only the Mo-Re and W-Re systems. The occurrence of these intermediate phases appears to be governed largely by electronic factors and is predictable on the basis of electron/atom ratio. The thermionic work functions of the intermediate phase materials were experimentally determined. function and the screening of the outermost electrons in the Group VIA metals was found. A correlation between the work As might be expected for purely metallic substances, the work functions were relatively high, in the range 4. 5 to 5. 0 eV, and in each case were bracketed by the work functions of the pure constituents. A discontinuous change in the average work function with composition is proposed, based on a thermodynamical treatment of the electron vapor.

REFRACTORY METAL↗

High Magnetic Anisotropy and Magnetocaloric Effects in Single-Crystal Cr 2 Te 3

Here, we report a systematic investigation of anisotropic magnetocaloric effects in single-crystal Cr 2 Te 3 . Single-crystal samples are synthesized by chemical vapor transport and characterized by X-ray and Laue diffraction methods. The maximum magnetic entropy change –ΔS M max is 4.50 J kg –1 K –1 for the easy c-axis (3.36 J kg –1 K –1 for the hard axis along ab-plane), and the relative cooling power (RCP) is 296.7 J kg –1 for the easy c-axis (183.84 J kg –1 for the hard axis along ab-plane) for a magnetic field change of 9 T near the Curie temperature. The magneto-crystalline anisotropy constant K u is estimated to be 580.12 kJ m –3 at 140 K, decreasing to 148.60 kJ m –3 at 168 K. Meanwhile, the maximum of the rotational magnetic entropy change –ΔS M R (T, H) between the c-axis and the ab-plane is about 1.14 J kg –1 K –1 for magnetic-field change of 9 T. The critical exponents are estimated by analyzing magnetocaloric effects, which indicate a 2D-Ising type magnetic system. The accuracy of estimated critical exponents is verified by scaling analysis. The maximum magnetic entropy change –ΔS M max ≈ 5.25 J kg –1 K –1 (along the c-axis) and the corresponding adiabatic temperature change ΔT ad ≈ 3.31 K (along the c-axis) are estimated by analyzing heat capacity measurements with a magnetic field up to 9 T.

36 MATERIALS SCIENCE↗