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At least 235 records · Page 13

High-pressure Structural Stability of Multiferroic Hexagonal RMnO3 (R=Y Ho Lu)

Structural changes in RMnO{sub 3} (R = Y, Ho, Lu) under high pressure were examined by synchrotron x-ray diffraction methods at room temperature. Compression occurs more readily in the ab plane than along the c axis. With increased pressure, a pressure-induced hexagonal to orthorhombic phase transition was observed starting at {approx}22 GPa for Lu(Y)MnO{sub 3}. When the pressure is increased to 35 GPa, a small volume fraction of Lu(Y)MnO{sub 3} is converted to the orthorhombic phase and the orthorhombic phase is maintained on pressure release. High-pressure infrared absorption spectroscopy and Mn K-edge near-edge x-ray absorption spectroscopy confirm that the hexagonal P6{sub 3}cm structure is stable below {approx}20 GPa and the environment around the Mn ion is not changed. Shifts in the unoccupied p-band density of states with pressure are observed in the Mn K-edge spectra. A schematic pressure-temperature phase diagram is given for the small ion RMnO{sub 3} system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High-pressure polymorphism of Pb F 2 to 75 GPa

Lead fluoride, PbF 2 , was investigated experimentally in the laser-heated diamond anvil cell by x-ray diffraction to pressures of 75 GPa at room temperature and to 64.5 GPa and 2430 K, as well as through first-principles density functional theory calculations up to 70 GPa. During room temperature compression, no discontinuous changes in the x-ray diffraction pattern or volume were observed, but the lattice parameters displayed highly anomalous trends between 10-22 GPa with enhanced compressibility along the a direction and reduced or even negative compressibility along b and c. Theoretical calculations of valence electron densities at 22 GPa showed that α-PbF 2 underwent a pressure-induced isosymmetric phase transition to a postcotunnite Co 2 Si structure and also revealed the detailed atomic rearrangements associated with the development of an extra Pb-F bond in the high-pressure phase. Our x-ray results and theoretical calculations are consistent with an isosymmetric phase transition smoothly occurring over 10-22 GPa rather than abruptly as previously suggested. The characteristic values for the cell constants a/c and (a+c)/b, which are used to distinguish among cotunnite-, Co 2 Si-, and Ni 2 In-type phases, require modification based on our results. An equation of state fit yields a bulk modulus, K 0 , of 72(3) GPa for the cotunnite-type, and an ambient-pressure volume, V 0 , of 182(2)Å 3 , and K 0 =81(4)GPa for the Co 2 Si-type phase when fixing the pressure derivative of the bulk modulus, K 0 '=4. Upon heating above 1200 K at pressures at or above 25.9 GPa, PbF 2 partially transformed to the hexagonal Ni 2 In-type phase but wholly or partially reverted back to Co 2 Si-type phase upon temperature quench. From 43-65 GPa, nearly complete transformation to the Ni 2 In-type PbF 2 was observed at high temperature, but the material partially transformed back to the orthorhombic phase upon temperature quench. Our results show that high-pressure behavior of PbF 2 is distinct from that of the alkaline earth fluorides with similar ionic radii. These results also have relevance to understanding the behavior of lanthanide and actinide dioxides, which have been predicted theoretically to exhibit similar isosymmetric transitions at Mbar pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pressure Dependence of Coherence-Incoherence Crossover Behavior in KFe 2 As 2 Observed by Resistivity and 75 As-NMR/NQR.

We present the results of 75 As nuclear magnetic resonance (NMR), nuclear quadrupole resonance (NQR), and resistivity measurements in KFe 2 As 2 under pressure (p). The temperature dependence of the NMR shift, nuclear spin-lattice relaxation time (T1), and resistivity show a crossover between a high-temperature incoherent, local-moment behavior and a low-temperature coherent behavior at a crossover temperature (T *). T * is found to increase monotonically with pressure, consistent with increasing hybridization between localized 3d orbitalderived bands with the itinerant electron bands. No anomaly in T * is seen at the critical pressure pc = 1.8 GPa where a change of slope of the superconducting (SC) transition temperature Tc(p) has been observed. In contrast, Tc(p) seems to correlate with antiferromagnetic spin fluctuations in the normal state as measured by the NQR 1/T1 data, although such a correlation cannot be seen in the replacement effects of A in the KFe 2 As 2 (A = K, Rb, Cs) family. In the superconducting state, two T1 components are observed at low temperatures, suggesting the existence of two distinct local electronic environments. The temperature dependence of the short T1s indicates a nearly gapless state below Tc. On the other hand, the temperature dependence of the long component 1/T1L implies a large reduction in the density of states at the Fermi level due to the SC gap formation. These results suggest a real-space modulation of the local SC gap structure in KFe 2 As 2 under pressure.

Wiecki, P.↗

Spectral Analysis of Integrated Pressures on Patches with Unsteady Pressure-Sensitive Paint Measurements

The technique of Pressure-Sensitive Paint (PSP) is commonly used in the aerospace industry to measure surface pressures on the model of launch vehicles and airplanes in the wind tunnel test. Recent research has demonstrated that Unsteady Pressure-Sensitive Paint (uPSP) can be an essential tool for the assessment of the unsteady, aerodynamic phenomena. The work described in this paper is a part of NASA’s development of a new state-of-the-art uPSP capability in production wind tunnels. This paper describes the spectral analysis of integrated pressures on patches of the scale model of the Space Launch System (SLS) Block 1 cargo vehicle with the uPSP measurements, which were collected in the Ascent Transient Aerodynamics Test (ATAT) with the Unitary Plan Wind Tunnel 11-by-11-foot Transonic Wind Tunnel in September 2019 at NASA Ames Research Center. The patches are defined with x station values, indicating the position along length of the SLS vehicle, and azimuth angles of the scale model. For each patch, the polygons are determined from the surface cells of the grid of the model, clipped with the edges of the patch, and each of the polygons is divided into triangles. The integrated pressure of the patch is determined as the ratio of the sum of the forces on the triangles over the sum of the areas of the triangles. For each run of the test, the Cross Power Spectral Density (CPSD) and magnitude squared coherence are computed from the time series of the integrated pressures on the patches. The pressure integration is coded in C++ and the spectral analysis is coded in MATLAB. The results were generated with the execution of the compiled C++ and MATLAB codes in parallel on the NASA Pleiades supercomputer. The results of pressure integration and spectral analysis are presented in this paper, and the data consistency of the test is also demonstrated. Funding for this research was provided by the NASA Aerosciences Evaluation and Test Capabilities Project.

Pressure-Sensitive Paint↗

Evaluating the Utility of Pressure Scanners for Unsteady Pressure Measurements in Wind Tunnel Characterization of the Space Launch System

In many aerodynamic measurement applications, the ability to make time-accurate measurements with pressure scanners provides practical advantages over making the same measurements directly using flush-mounted transducers. The pneumatic distortion due to the tubing between the sensing module and surface port limits the usefulness of such measurements to averaged, steady data only. This issue has restricted the application of pressure scanners for unsteady pressure measurements in wind tunnel and flight-testing applications. The Wiener-filtered inverse system response model has been proven to be effective in reconstructing complex unsteady pressure signals acquired remotely using pressure scanners. In this work, the feasibility of using pressure scanning systems for time-resolved pressure measurements in the NASA Langley 14- by 22-Foot Subsonic Wind Tunnel was evaluated. Results demonstrated good agreement between the reference transducers and reconstructed pressure scanner measurements up to frequencies of approximately 500 Hz.

Unsteady pressure↗

Characterization of Photodegredation in Unsteady Pressure-Sensitive Paint Under Varying Pressures

The lifetime and intensity techniques are two distinct methods used to measure the surface pressure of wind tunnel models with pressure-sensitive paint (PSP). When exposed to 405 nm light for extended periods, both the luminescence and the lifetime ratio were observed to decrease, affecting perceived pressure values. To help further the implementation of the unsteady pressure-sensitive paint (uPSP), this paper describes the efforts to characterize how photo degradation affects the intensity of the paint signal and its lifetime ratio, as well as the intensity calibration's response and how these changes vary with different pressure environments. It was found that the paint photo degrades at different rates depending on the partial pressure of oxygen during excitation. It was also found that the calibration curves exhibit greater changes when exposed to excitation light in higher pressure environments, both indicating photo degradation due to photo decomposition and photo-oxidation processes. These effects are observed on models in a subsonic 14” × 14” wind tunnel as well as a large-scale 11’ x 11’ transonic wind tunnel. The work provides analysis into the photo degradation behavior of PSP and uPSP, paving the way to reduce the error in pressure measurements obtained through these techniques.

Pressure-Sensitive Paint↗

Nodal Modeling of Helium Pressurization and Autogenous Pressurization and Draining using a Multi-Node-Ullage Approach

Pressurized expulsion tests of liquid methane were modeled by a nodal code using a multinode ullage approach. Generalized Fluid System Simulation Program (GFSSP), a finite volume based nodal code was used to model the expulsion of liquid methane from a 1.52-meter (5 ft) diameter spherical tank by pressurizing with helium and gaseous methane. The purpose of the model was to estimate the amount of pressurant required and amount of condensation and evaporation of methane during the operation. The ullage was discretized into multiple nodes and each fluid node was connected to solid nodes. Both the fluid and solid nodes grow as the tank drains. The heat and mass transfer between fluid and solid node in the tank ullage was computed. The heat and mass transfer between the bottom ullage node and the liquid methane was also computed. The model predictions were compared with data from twelve test cases. The predicted pressurant consumption for helium pressurization compares with test data with a Mean Absolute Percent Error (MAPE) of 3%. For autogenous pressurization, where gaseous methane was used to pressurize liquid methane, the predicted pressurant consumption compares with a MAPE of 6%.

Nodal Model↗

The influence of pressure on the photoluminescence properties of a terbium-adipate framework

The influence of pressure (over the 0–4.7 GPa range) on the photoluminescence emissions and crystal structure of the known 3D terbium-adipate metal-organic framework material Tb-GWMOF6 has been evaluated by high-pressure single-crystal X-ray diffraction and spectroscopic techniques. The results from this study show that this complex lanthanide framework structure undergoes three phase transitions within the 0–4 GPa pressure range that involve alterations in the number of symmetry independent Tb{sup 3+} ion sites within the crystal lattice. These pressure induced modifications to the structure of Tb-GWMOF6 lead to pronounced changes in the profiles of the {sup 5}D{sub 4}→{sup 7}F{sub 5} emission spectra of this complex. - Graphical abstract: The influence of pressure on the structure and photoluminescence emissions of a 3D terbium-adipate framework. - Highlights: • High-pressure luminescence spectra for a Tb framework were collected. • High-pressure single-crystal XRD experiments were conducted with the Tb Framework. • The framework undergoes two pressure-induced phase transitions. • The three phases of the material show different photoluminescence behaviour.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigating the CO 2 pressure effect on underwater laser-induced plasma emission of Eu and Yb

Laser-induced breakdown spectroscopy (LIBS) is an emerging analytical technique for in situ determination of elements in natural resources. The technique is employed for the study of two rare earth elements (Eu and Yb) in aqueous solutions at pressures ranging from ambient to 250 bars. Underwater plasma is created at ambient and elevated pressures to record LIBS spectra from their solutions using Nd:YAG laser operated at its fundamental wavelength of 1064 nm. The effect of CO2 pressure on the characteristic spectral signatures of these two rare earth elements is presented. Variation of intensity, integrated intensity, and width of selected emission lines with CO2 pressure is explained. The technique could potentially be used for the detection of rare earth elements in oceanic, carbon sequestration, and geothermal fluids.

36 MATERIALS SCIENCE↗

Relationship between the Chemiluminescence Intensity Ratio of C 2 * and CH*, Charge Pressure, and Equivalence Ratio for Gasoline

This work presents the results of an intensity-based fuel–air calibration for a range of charge pressures for gasoline fuel. The radical intensity ratio of diatomic carbon (C 2 *) to methylidene (CH*) was acquired through line-of-sight chemiluminescence imaging at pressures up to 10 bar. Certified gasoline (99% iso-octane, 0.9% n-heptane, and 0.1% other additives) and air are injected into an optically accessible pressure vessel capable of handling pressures up to 200 bar and ignited with an automotive spark plug. Line-of-sight images of C 2 * and CH* are recorded simultaneously on a single image sensor utilizing an intensifier, a high-speed camera, and various optical components to split the light signals associated with C 2 * and CH* (centered at 513 and 427 nm, respectively). The ratio of the signals (C 2 */CH*) are acquired and compared to the measured equivalence ratio of the exhaust gases and charge pressure. The approach allowed for characterization of the behavior of the intensity ratio at various charge pressures for gasoline. Here, the comparison of the intensity ratio (C 2 */CH*), equivalence ratio, and charge pressure resulted in the generation of a correlation map that can be used to calculate equivalence ratio if intensity ratio and charge pressure are known.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of Pressure on Valence and Structural Properties of YbFe 2 Ge 2 Heavy Fermion Compound A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation

The crystal structure and the Yb valence of the YbFe 2 Ge 2 heavy fermion compound was measured at room temperature and under high pressures using high-pressure powder X-ray diffraction and X-ray absorption spectroscopy via both partial fluorescence yield and resonant inelastic X-ray emission techniques. Furthermore, the measurements are complemented by first-principles density functional theoretical calculations using the self-interaction corrected local spin density approximation investigating in particular the magnetic structure and the Yb valence. While the ThCr 2 Si 2 -type tetragonal (I4/mmm) structure is stable up to 53 GPa, the X-ray emission results show an increase of the Yb valence from v = 2.72(2) at ambient pressure to v = 2.93(3) at ~9 GPa, where at low temperature a pressure-induced quantum critical state was reported.

Kumar, Ravhi S.↗

Strain engineered pyrochlore at high pressure

Strain engineering is a promising method for next-generation materials processing techniques. Here, we use mechanical milling and annealing followed by compression in diamond anvil cell to tailor the intrinsic and extrinsic strain in pyrochlore, Dy 2 Ti 2 O 7 and Dy 2 Zr 2 O 7 . Raman spectroscopy, X-ray pair distribution function analysis, and X-ray diffraction were used to characterize atomic order over short-, medium-, and long-range spatial scales, respectively, under ambient conditions. Raman spectroscopy and X-ray diffraction were further employed to interrogate the material in situ at high pressure. High-pressure behavior is found to depend on the species and concentration of defects in the sample at ambient conditions. Overall, we show that defects can be engineered to lower the phase transformation onset pressure by ~50% in the ordered pyrochlore Dy 2 Zr 2 O 7 , and lower the phase transformation completion pressure by ~20% in the disordered pyrochlore Dy 2 Zr 2 O 7 . These improvements are achieved without significantly sacrificing mechanical integrity, as characterized by bulk modulus.

36 MATERIALS SCIENCE↗

Pressure Self-focusing Effect and Novel Methods for Increasing the Maximum Pressure in Traditional and Rotational Diamond Anvil Cells

The main principles of producing a region near the center of a sample, compressed in a diamond anvil cell (DAC), with a very high pressure gradient and, consequently, with high pressure are predicted theoretically. The revealed phenomenon of generating extremely high pressure gradient is called the pressure self-focusing effect. Initial analytical predictions utilized generalization of a simplified equilibrium equation. Then, the results are refined using our recent advanced model for elastoplastic material under high pressures in finite element method (FEM) simulations. The main points in producing the pressure self-focusing effect are to use beveled anvils and reach a very thin sample thickness at the center. We find that the superposition of torsion in a rotational DAC (RDAC) offers drastic enhancement of the pressure self-focusing effect and allows one to reach the same pressure under a much lower force and deformation of anvils.

42 ENGINEERING↗