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At least 613 records · Page 34

Iron Bonding with Light Elements: Implications for Planetary Cores Beyond the Binary System

Light element alloying in iron is required to explain density deficit and seismic wave velocities in Earth’s core. However, the light element composition of the Earth’s core seems hard to constrain as nearly all light element alloying would reduce the density and sound velocity (elastic moduli). The alloying light elements include oxidizing elements like oxygen and sulfur and reducing elements like hydrogen and carbon, yet their chemical effects in the alloy system are less discussed. Moreover, Fe-X-ray Absorption Near Edge Structure (Fe-XANES) fingerprints have been studied for silicate materials with ferrous and ferric ions, while not many X-ray absorption spectroscopy (XAS) studies have focused on iron alloys, especially at high pressures. To investigate the bonding nature of iron alloys in planetary interiors, we presented X-ray absorption spectroscopy of iron–nitrogen and iron–carbon alloys at high pressures up to 50 GPa. Together with existing literature on iron–carbon, –hydrogen alloys, we analyzed their edge positions and found no significant difference in the degree of oxidation among these alloys. Pressure effects on edge positions were also found negligible. Our theoretical simulation of the valence state of iron, alloyed with S, C, O, N, and P also showed nearly unchanged behavior under pressures up to 300 GPa. This finding indicates that the high pressure bonding of iron alloyed with light elements closely resembles bonding at the ambient conditions. We suggest that the chemical properties of light elements constrain which ones can coexist within iron alloys.

Advanced Photon Source↗

Turbulent Radiation Effects in HSCT Combustor Rich Zone

A joint UTRC-University of Connecticut theoretical program was based on describing coupled soot formation and radiation in turbulent flows using stretched flamelet theory. This effort was involved with using the model jet fuel kinetics mechanism to predict soot growth in flamelets at elevated pressure, to incorporate an efficient model for turbulent thermal radiation into a discrete transfer radiation code, and to couple die soot growth, flowfield, and radiation algorithm. The soot calculations used a recently developed opposed jet code which couples the dynamical equations of size-class dependent particle growth with complex chemistry. Several of the tasks represent technical firsts; among these are the prediction of soot from a detailed jet fuel kinetics mechanism, the inclusion of pressure effects in the soot particle growth equations, and the inclusion of the efficient turbulent radiation algorithm in a combustor code.

Hall, Robert J.↗

Anisotropic Alfven-ballooning modes in Earth's magnetosphere

We have carried out a theoretical analysis of the stability and parallel structure of coupled shear Alfven and slow magnetosonic waves in Earth's inner magnetopause (i.e., at equatorial distances between about five and ten Earth radii) including effects of finite anisotropic Grad-Shafranov equation yields an approximate self-consistent magnetohydrodynamic (MHD) equilibrium. This MHD equilibrium is used in the numerical solution of a set of eigenmode equations which describe the field line eigenfrequency, linear stability, and parallel eigenmode structure. We call these modes anisotropic Alfven-ballooning modes. The main results are: (1) The field line eigenfrequency can be significantly lowered by finite pressure effects. (2) The parallel mode structure of the transverse wave components is fairly insensitive to changes in the plasma pressure, but the compressional magnetic component can become highly peaked near the magnetic equator as a result of increased pressure, especially when P(sub perpendicular to) is greater than P(sub parallel) (here P(sub perpendicular to) and P(sub parallel) are the perpendicular and parallel plasma pressure). (3) For the isotropic (P(sub parallel) = P(sub perpendicular to) = P) case ballooning instability can occur when the ratio of the plasma presure to the magnetic pressure, beta = P/(B squared/8 pi), exceeds a critical value beta(sup B)(sub 0) is approximately equal to 3.5 at the equator. (4) Compared to the isotropic case the critical beta value is lowered by anisotropy, either due to decreased field line bending stabilization when P(sub parallel) is greater than P(sub perpendicular to) or due to increased ballooning-mirror destabilization when P(sub perpendicular to) is greater than P(sub parallel). (5) We use a beta-delta stability diagram to display the regions of instability with respect to the equatorial values of the parameters bar beta and delta, where bar beta = (1/3)(beta(sub parallel) + 2 beta(sub perpendicular to)) is an average beta value and delta = 1 - P(sub parallel)/P(sub perpendicular to) is a measure of the plasma anisotropy. The diagram is divided into regions corresponding to the firehose, mirror and ballooning instabilities. It appears that observed values of the plasma pressure are below the critical value for the isotropic ballooning instability but it may be possible to approach a ballooning-mirror instability when P(sub perpendicular to)/P(sub parallel) is greater than or approximately 2.

Chan, Anthony A.↗

The structure and stability of transonic accretion disks surrounding black holes

Stationary transonic alpha-viscosity models of accretion disks surrounding nonrotating black holes have been investigated. The viscosity is modified such that it vanishes in the supersonic region to ensure its effect does not violate the causality condition. In contrast to previous studies, the viscous stress is taken to be explicitly proportional to the angular velocity gradient and is not assumed to depend solely on the local pressure in the disk. The numerical results reveal that the structure of the innermost regions of the disk are more sensitive to the modified form of the viscosity than to the form of the viscous stress. The critical sonic point is located inside the innermost stable circular orbit of a test particle at 3 Schwarzschild radii. In these solutions, the transition from subsonic to supersonic flow results from pressure effects and not viscous effects. The linear stability of these disks has been examined in the local approximation. It is found that radiative energy transport and viscous stresses in the radial direction can have important effects. As a result, it is shown that the growth rate of the inertial-acoustic mode reaches a maximum at a critical wavelength.

Chen, Xingming↗

High-Power Ion Thruster Technology

Performance data are presented for the NASA/Hughes 30-cm-diam 'common' thruster operated over the power range from 600 W to 4.6 kW. At the 4.6-kW power level, the thruster produces 172 mN of thrust at a specific impulse of just under 4000 s. Xenon pressure and temperature measurements are presented for a 6.4-mm-diam hollow cathode operated at emission currents ranging from 5 to 30 A and flow rates of 4 sccm and 8 sccm. Highly reproducible results show that the cathode temperature is a linear function of emission current, ranging from approx. 1000 C to 1150 C over this same current range. Laser-induced fluorescence (LIF) measurements obtained from a 30-cm-diam thruster are presented, suggesting that LIF could be a valuable diagnostic for real-time assessment of accelerator-arid erosion. Calibration results of laminar-thin-film (LTF) erosion badges with bulk molybdenum are presented for 300-eV xenon, krypton, and argon sputtering ions. Facility-pressure effects on the charge-exchange ion current collected by 8-cm-diam and 30-cm-diam thrusters operated on xenon propellant are presented to show that accel current is nearly independent of facility pressure at low pressures, but increases rapidly under high-background-pressure conditions.

Beattie, J. R.↗

Spatial and Temporal Distribution of Clouds Observed by MODIS Onboard the Terra and Aqua Satellites

The Moderate Resolution Imaging Spectroradiometer (MODIS) was developed by NASA and launched aboard the Terra spacecraft on December 18, 1999 and Aqua spacecraft on May 4, 2002. A comprehensive set of remote sensing algorithms for the retrieval of cloud physical and optical properties have enabled over twelve years of continuous observations of cloud properties from Terra and over nine years from Aqua. The archived products from these algorithms include 1 km pixel-level (Level-2) and global gridded Level-3 products. In addition to an extensive cloud mask, products include cloud-top properties (temperature, pressure, effective emissivity), cloud thermodynamic phase, cloud optical and microphysical parameters (optical thickness, effective particle radius, water path), as well as derived statistics. Results include the latitudinal distribution of cloud optical and radiative properties for both liquid water and ice clouds, as well as latitudinal distributions of cloud top pressure and cloud top temperature. MODIS finds the cloud fraction, as derived by the cloud mask, is nearly identical during the day and night, with only modest diurnal variation. Globally, the cloud fraction derived by the MODIS cloud mask is approx.67%, with somewhat more clouds over land during the afternoon and less clouds over ocean in the afternoon, with very little difference in global cloud cover between Terra and Aqua. Overall, cloud fraction over land is approx.55%, with a distinctive seasonal cycle, whereas the ocean cloudiness is much higher, around 72%, with much reduced seasonal variation. Cloud top pressure and temperature have distinct spatial and temporal patterns, and clearly reflect our understanding of the global cloud distribution. High clouds are especially prevalent over the northern hemisphere continents between 30 and 50 . Aqua and Terra have comparable zonal cloud top pressures, with Aqua having somewhat higher clouds (cloud top pressures lower by 100 hPa) over land due to afternoon deep convection. The coldest cloud tops (colder than 230 K) generally occur over Antarctica and the high clouds in the tropics (ITCZ and the deep convective clouds over the western tropical Pacific and Indian sub-continent).

King, Michael D.↗

Examining the role of flame topologies and in-cylinder flow fields on cyclic variability in spark-ignited engines using large-eddy simulation

In this work we have studied cycle-to-cycle variation (CCV) in a spark-ignited (SI) engine using large-eddy simulation (LES) in conjunction with the G-equation combustion model. A single cylinder of a four-cylinder port-fueled SI engine was simulated. 49 consecutive full cycles were computed. The operating condition studied in this work is stoichiometric and stable, and represents a load of 16 bar brake mean effective pressure (BMEP), and an engine speed of 2500 revolutions per minute (r/min). The CFD simulation shows good agreement in terms of in-cylinder pressure prediction with respect to the experiments, and is also able to capture the range of CCV observed in experiments. Further, neither the simulation, nor the experiments show any distinguishable pattern in the sequence of high and low cycles. We numerically decoupled the effects of variations in equivalence ratio fields and velocity fields to isolate the effects of differences in the velocity field and differences in the equivalence ratio field on flame development and propagation. Based on this study we inferred that for this engine, under the operating conditions studied, the differences in burn rates can be attributed to the differences in the velocity flow-field in the region around the spark gap during ignition. We then performed an analysis to identify the correlation between peak cylinder pressure (PCP) and flame topologies over all the simulated cycles. We found that high cycles (higher PCP values) are strongly correlated to flatter flame volume shapes (flattened in the piston-to-head direction), and volumes that are more symmetric about the ignition axis. In addition, these kinds of flame volumes were found to correlate well with lower values of prior-to-ignition velocity going from the intake to the exhaust side (mean flow caused by tumble) at the spark, and also higher values of prior-to-ignition velocity in the piston-to-head direction.

CCV↗

Thermodynamic origin of the pressure-induced Invar effect: General criterion and experimental study of Fe 68 ⁢Pd 32

Synchrotron X-ray diffraction measurements were performed on 57 Fe 68 Pd 32 at multiple pressures and two temperatures in a diamond-anvil cell. Between 4 and 11GPa, the thermal expansion was zero or slightly negative. This pressure-induced Invar effect was studied further with 57 Fe nuclear forward scattering and nuclear resonant inelastic X-ray scattering to obtain information on the pressure-induced changes in both the magnetization and the phonon density of states. Magnetic entropy and phonon entropy were obtained from these results, the latter with additional measurements from inelastic neutron scattering to account for the contributions from Pd atoms. The dependencies of these entropies on pressure gave the magnetic and phonon contributions to thermal expansion. These canceled in the region of pressure-induced Invar behavior, even though they individually increased by more than a factor of 2 below the Curie pressure. The behavior of phonons gives evidence for spin-phonon interactions in Fe 68 Pd 32 . A general explanation of the pressure-induced Invar effect is presented, showing that Invar behavior is typically expected at a pressure P* below a magnetic transition at pressure PC. The difference in pressure P C − P* scales with the fractional reduction in magnetic exchange interaction divided by the average Gr¨uneisen parameter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cost analysis of alternative large-scale high-temperature solid oxide electrolysis hydrogen production facilities

We extend our past cost analysis of gigawatt-scale solid oxide electrolysis (SOE) facilities that produce high purity hydrogen gas from water by estimating construction and operating costs for three new alternative design cases: (1) offsite feed steam generation; (2) near-atmospheric pressure (NAP) stack; and (3) onsite electric boiler feed steam generation. Pressure effects on hydrogen electrode-(cathode-)supported SOE cell (SOEC) stack performance are estimated for the same assumed cell and stack construction and used to determine facility-wide stack capital costs for achieving a fixed H2 production at different pressures. Modular balance of plant (BOP) process equipment capital costs are estimated for each new alternative design case using our past equipment sizing, design, and cost data and scaling relationships. Furthermore, we update BOP equipment sizing and design for the NAP case using Aspen®. Vendor quotes for electric boilers are used to estimate costs for the electric boiler design case. Factory and onsite assembly and installation costs for SOEC stacks and BOP equipment are calculated using our past simplified first-principles approach. First-of-a-kind (FOAK) and N th -of-a-kind (NOAK) production maturity cost estimates are included for all results. The case with NAP stacks offers the lowest facility total capital cost (TCC, ~23% lower than base) while use of small electric boilers requires the highest TCC (~3% higher than base). H 2 production prices decrease from the base of ~$\$2.17$ /kgH 2 to ~$\$1.92$/kgH 2 for 1 GW e DC SIP facilities utilizing NAP stacks supplied by offsites steam situated in large modules and blocks for $\$0.030$/kWh e and $0.009/kWh t prices for electricity and thermal energy, respectively. We report all costs in 2021 US dollars.

Balance of plant (BOP) process equipment↗

Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using first-principles calculations to screen for fragile magnetism: Case study of LaCrGe 3 and LaCrSb 3

In this study, we present a coupled experimental/theoretical investigation of pressure effect on the ferromagnetism of LaCrGe 3 and LaCrSb 3 compounds. The magnetic, electronic, elastic, and mechanical properties of LaCrGe 3 and LaCrSb 3 at ambient condition are studied by first-principles density-functional theory calculations. The pressure dependences of the magnetic properties of LaCrGe 3 and LaCrSb 3 are also investigated. The ferromagnetism in LaCrGe 3 is rather fragile, with a ferro- to paramagnetic transition at a relatively small pressure (around 7 GPa from our calculations, and 2 GPa in experiments). The key parameter controlling the magnetic properties of LaCrGe 3 is found to be the proximity of the peak of Cr density of states to the Fermi level, a proximity that is strongly correlated with the distance between Cr atoms along the c axis, suggesting that there would be a simple way to suppress magnetism in systems with one-dimensional arrangement of magnetic atoms. By contrast, the ferromagnetism in LaCrSb 3 is not fragile. In conclusion, our theoretical results are consistent with our experimental results and demonstrate the feasibility of using first-principles calculations to aid experimental explorations in screening for materials with fragile magnetism.

36 MATERIALS SCIENCE↗

Plasma Oscillation Characterization of NASA's HERMeS Hall Thruster via High Speed Imaging

The performance and facility effect characterization tests of NASA's 12.5-kW Hall Effect Rocket with Magnetic Shielding had been completed. As a part of these tests, three plasma oscillation characterization studies were performed to help determine operation settings and quantify margins. The studies included the magnetic field strength variation study, background pressure effect study, and cathode flow fraction study. Separate high-speed videos of the thruster including the cathode and of only the cathode were recorded. Breathing mode at 10-15 kHz and cathode gradient-driven mode at 60-75 kHz were observed. An additional high frequency (40-70 kHz) global oscillation mode with sinusoidal probability distribution function was identified.

Ground Tests↗

Origin of “memory glass” effect in pressure-amorphized rare-earth molybdate single crystals

The memory glass effect (MGE) describes the ability of some materials to recover the initial structure and crystallographic orientation after pressure-induced amorphization (PIA). In spite of numerous studies the nature and underlying mechanisms of this phenomenon are still not clear. Here we report investigations of MGE in β′-Eu{sub 2}(MoO{sub 4}){sub 3} single crystal samples subjected to high pressure amorphization. Using the XRD and TEM techniques we carried out detailed analysis of the structural state of high pressure treated single crystal samples as well as structural transformations due to subsequent annealing at atmospheric pressure. The structure of the sample has been found to be complex, mainly amorphous, however, the amorphous medium contains evenly distributed nanosize inclusions of a paracrystalline phase. The inclusions are highly correlated in orientation and act as “memory units” in the MGE. - Graphical abstract: Schematic representation of pressure-induced amorphization and “memory glass” effect in rare-earth molybdate single crystals. The XRD and TEM measurements have revealed the presence of the residual identically oriented paracrystalline nanodomains in the pressure-amorphized state. These domains preserve the information about initial structure and orientation of the sample. They act as memory units and crystalline seeds during transformation of the amorphous phase back to the starting single crystalline one. - Highlights: • Pressure-amorphized Eu{sub 2}(MoO4){sub 3} single crystals were studied ex-situ by XRD and TEM. • Tiny residual crystalline inclusions were found in amorphous matrix of sample. • The inclusions keep in memory the parent crystal structure and orientation. • The inclusions account for “memory glass” effect in rare-earth molibdates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Re-emerging superconductivity at 48;#8201;kelvin in iron chalcogenides

Pressure has an essential role in the production and control of superconductivity in iron-based superconductors. Substitution of a large cation by a smaller rare-earth ion to simulate the pressure effect has raised the superconducting transition temperature T{sub c} to a record high of 55 K in these materials. In the same way as T{sub c} exhibits a bell-shaped curve of dependence on chemical doping, pressure-tuned T{sub c} typically drops monotonically after passing the optimal pressure. Here we report that in the superconducting iron chalcogenides, a second superconducting phase suddenly re-emerges above 11.5 GPa, after the T{sub c} drops from the first maximum of 32 K at 1 GPa. The T{sub c} of the re-emerging superconducting phase is considerably higher than the first maximum, reaching 48.0-48.7 K for Tl{sub 0.6}Rb{sub 0.4}Fe{sub 1.67}Se{sub 2}, K{sub 0.8}Fe{sub 1.7}Se{sub 2} and K{sub 0.8}Fe{sub 1.78}Se{sub 2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Novel Method for Estimating Shortwave Direct Radiative Effect of Above-Cloud Aerosols Using CALIOP and MODIS Data

This paper describes an efficient and unique method for computing the shortwave direct radiative effect (DRE) of aerosol residing above low-level liquid-phase clouds using CALIOP and MODIS data. It accounts for the overlapping of aerosol and cloud rigorously by utilizing the joint histogram of cloud optical depth and cloud top pressure. Effects of sub-grid scale cloud and aerosol variations on DRE are accounted for. It is computationally efficient through using grid-level cloud and aerosol statistics, instead of pixel-level products, and a pre-computed look-up table in radiative transfer calculations. We verified that for smoke over the southeast Atlantic Ocean the method yields a seasonal mean instantaneous shortwave DRE that generally agrees with more rigorous pixel-level computation within 4. We have also computed the annual mean instantaneous shortwave DRE of light-absorbing aerosols (i.e., smoke and polluted dust) over global ocean based on 4 yr of CALIOP and MODIS data. We found that the variability of the annual mean shortwave DRE of above-cloud light-absorbing aerosol is mainly driven by the optical depth of the underlying clouds.

radiative forcing↗

A Novel Method for Estimating Shortwave Direct Radiative Effect of Above-cloud Aerosols over Ocean Using CALIOP and MODIS Data

This paper describes an efficient and unique method for computing the shortwave direct radiative effect (DRE) of aerosol residing above low-level liquid-phase clouds using CALIOP and MODIS data. It accounts for the overlapping of aerosol and cloud rigorously by utilizing the joint histogram of cloud optical depth and cloud top pressure. Effects of sub-grid scale cloud and aerosol variations on DRE are accounted for. It is computationally efficient through using grid-level cloud and aerosol statistics, instead of pixel-level products, and a pre-computed look-up table in radiative transfer calculations. We verified that for smoke over the southeast Atlantic Ocean the method yields a seasonal mean instantaneous shortwave DRE that generally agrees with more rigorous pixel-level computation within 4%. We have also computed the annual mean instantaneous shortwave DRE of light-absorbing aerosols (i.e., smoke and polluted dust) over global ocean based on 4 yr of CALIOP and MODIS data. We found that the variability of the annual mean shortwave DRE of above-cloud light-absorbing aerosol is mainly driven by the optical depth of the underlying clouds.

CALIOP and MODIS↗

Pressure-Dependent Magnetic Properties of Quasi-2D Cr 2 Si 2 Te 6 and Mn 3 Si 2 Te 6

Recently, pressure has been used to induce structural and magnetic phase transitions in many layered quantum materials whose layers are linked by van der Waals forces. Materials with such weakly held layers allow for relatively easy manipulation of the superexchange mechanism, which can give rise to novel magnetic behavior. Here, using hydrostatic pressure as a disorderless means to manipulate the interlayer coupling, we applied pressure on two quasi-2D sister compounds, namely, Cr 2 Si 2 Te 6 (CST) and Mn 3 Si 2 Te 6 (MST), up to ~1 GPa. Magnetic property measurements with the application of pressure revealed that the ferromagnetic transition temperature decreases in CST, while the opposite occurs for the ferrimagnetic MST. In MST, magnetization decreases with the increase in pressure, and such a trend is not clearly observed within the pressure range studied for CST. The overall pressure effect on magnetic characteristics such as exchange couplings and magnetic anisotropy energies is also examined theoretically using density functional theory. Exchange coupling in MST is strongly frustrated, and the first nearest neighbor interaction is the most dominant of the components with the strongest pressure dependence. In CST, the exchange coupling parameters exhibit very little dependence on pressure. This combined experimental and theoretical work has the potential to expand to other relevant quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗