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At least 1,225 records · Page 68

Pressure-Modulated Energy Transfer Dynamics in Mn 2+ -Doped CdS/ZnS Core/Shell Quantum Dots

Transition metal doping in semiconductor quantum dots (QDs) significantly impacts their optical properties, thus expanding the range of their potential optoelectronic applications. This study investigates the pressure-dependent energy transfer dynamics in Mn 2+ -doped CdS/ZnS core/shell QDs, focusing on how external hydrostatic pressure modulates these dynamics and optical properties. By synthesizing Mn 2+ -doped QDs with varying Mn 2+ doping concentrations, we explore the effects of the pressure on photoluminescence (PL) spectra and energy transfer efficiency. Our study reveals that increasing pressure induces a blueshift in the QD host bandgap PL and a redshift in the Mn 2+ dopant PL. The pressure-induced shifts highlight a unique modulation mechanism where the energy transfer efficiency decreases with pressure due to reduced wave function overlap between host excitons and Mn 2+ dopants. Detailed analysis of the PL quantum yields and energy transfer rate constants provides insights into these dynamics, suggesting that the pressure can effectively and reversibly regulate the energy transfer efficiencies and rates. In conclusion, these results have implications for developing pressure-sensitive configurable devices and exploring pressure-induced phenomena in doped nanomaterials.

36 MATERIALS SCIENCE↗

Effect of endoglucanase and high-pressure homogenization post-treatments on mechanically grinded cellulose nanofibrils and their film performance

In this study, the effects of mechanical grinding (G) assisted by endoglucanase (E) and high-pressure homogenization (H) post-treated cellulose nanofibrils (CNFs) and its film properties were investigated. Compared to only mechanical grinding, these two post-treatment processes improved the size uniformity of CNFs in width. Additionally, the crystallinity of GECNFs was increased by 4.3 % and the resulting film exhibited low oxygen permeability rate (6.33 mL/m 2 ·day). Moreover, the combination post-treatments of enzyme and homogenization improved the tensile strength and transparency of CNFs films from 132.31 MPa, 27.52 %– to 177.99 MPa, 61.75 %, respectively. Besides, a composite of acrylic resin ABPE-10 and GEHCNFs film under negative pressure improved the transparency (85.68 %) and water contact angle (104.11°) of film. This work also provides insight on the relationship between the CNFs morphology and their film properties, which can be used to improve the CNFs film performance and promote future applications of CNFs.

59 BASIC BIOLOGICAL SCIENCES↗

Metal/Silicate Partitioning at High Pressures and Temperatures

The behavior of siderophile elements during metal-silicate segregation, and their resulting distributions provide insight into core formation processes. Determination of partition coefficients allows the calculation of element distributions that can be compared to established values of element abundances in the silicate (mantle) and metallic (core) portions of the Earth. Moderately siderophile elements, including W, are particularly useful in constraining core formation conditions because they are sensitive to variations in T, P, oxygen fugacity (fO2), and silicate composition. To constrain the effect of pressure on W metal/silicate partitioning, we performed experiments at high pressures and temperatures using a multi anvil press (MAP) at NASA Johnson Space Center and laser-heated diamond anvil cells (LHDAC) at the University of Maryland. Starting materials consisted of natural peridotite mixed with Fe and W metals. Pressure conditions in the MAP experiments ranged from 10 to 16 GPa at 2400 K. Pressures in the LHDAC experiments ranged from 26 to 58 GPa, and peak temperatures ranged up to 5000 K. LHDAC experimental run products were sectioned by focused ion beam (FIB) at NASA JSC. Run products were analyzed by electron microprobe using wavelength dispersive spectroscopy. Liquid metal/liquid silicate partition coefficients for W were calculated from element abundances determined by microprobe analyses, and corrected to a common fO2 condition of IW-2 assuming +4 valence for W. Within analytical uncertainties, W partitioning shows a flat trend with increasing pressure from 10 to 16 GPa. At higher pressures, W becomes more siderophile, with an increase in partition coefficient of approximately 0.5 log units.

Shofner, G.↗

Uncertainty Quantification and Sensitivity Analysis for Simulation of Hostile Blast Events [Slides]

A mesh convergence study shows that shock arrival times converge for basic flow shots. Sensitivity study reveals a surprisingly high sensitivity to the placement of the HE package. Bayesian inference tools used on the experimental datasets suggest this is a real effect. Sensitivity analysis of ambient conditions such as temperature and pressure reveal minimal effect. Porting of pressure data from QUINOA simulations to perform structural analysis on the aeroshell geometry was successful, and shows a strong dependence of payload response to the angle of attack.

42 ENGINEERING↗

ANSYS Modeling of Hydrostatic Stress Effects

Classical metal plasticity theory assumes that hydrostatic pressure has no effect on the yield and postyield behavior of metals. Plasticity textbooks, from the earliest to the most modem, infer that there is no hydrostatic effect on the yielding of metals, and even modem finite element programs direct the user to assume the same. The object of this study is to use the von Mises and Drucker-Prager failure theory constitutive models in the finite element program ANSYS to see how well they model conditions of varying hydrostatic pressure. Data is presented for notched round bar (NRB) and "L" shaped tensile specimens. Similar results from finite element models in ABAQUS are shown for comparison. It is shown that when dealing with geometries having a high hydrostatic stress influence, constitutive models that have a functional dependence on hydrostatic stress are more accurate in predicting material behavior than those that are independent of hydrostatic stress.

Allen, Phillip A.↗

Oceanic Low Blows Hitting Ice Sheets Where It Hurts

The recent acceleration, thinning and retreat of large outlet glaciers in both Antarctica and Greenland is altering the mass balance of these two large ice sheets and increasing their contribution to rising sea level. In this short Perspective solicited by Science for a special March 24th issue on sea level change, I argue that the cause of these bihemispheric changes is that warmer water has gained access to the undersides of these glaciers where they come afloat from the continent. This process is particularly effective at accelerating glaciers because the beds of the large outlet glaciers are well below sea level (1000 meters or more) but "guarded" downstream by a shallow moraine formed when the glacier was more advanced. Once warmer water can breach this moraine, it sinks in the colder, fresh water behind the moraine and reaches the submarine front of the glacier. The pressure melting effect lowers the melting point of this deep ice allowing the warmer water to melt ice at rates of many tens of meters per year. This melting reduces . the frictional hold of the bed on the ice, allowing the ice to accelerate in agreement with the observations, Hansen has discussed the likelihood that approximately half of the Earth's radiation imbalance is manifesting in warmer ocean waters and Levitus et al. have seen warming in ocean temperature measurements at mid and low latitudes. The behavior of these outlet glaciers indicates this ocean warmth is reaching polar waters. The prognosis is for a continuation of this process, more negative ice sheet mass balances and increased rates of sea level rise.

Bindschadler, Robert↗

On the Accuracy of CFD-Based Pressure Drop Predictions for Right-Angle Ducts

The predictive capability of computational fluid dynamics (CFD) codes for turbulent flow through curved ducts is of significant importance to the design and performance analysis of modern rocket engine flowpaths. Code calibration and validation studies for this class of flow are desireable to estimate the performance margin and operating range of components designed using Navier-Stokes methods. Parametric experimental studies such as that of Weske (NACA ARR W-39) provided a wealth of performance data for the design of single- and compound elbow configurations with various cross-sections, curvature and aspect ratios at varying Reynolds numbers. In that work, the majority of data is presented in the form of loss coefficients, characterizing pressure losses due to duct curvature, and including losses due to wall friction. Using measured friction coefficients, losses of equivalent straight lengths of duct are subtracted, resulting in performance curves useful for design computations. These data are currently used in a CFD-based parametric study covering a broad range of operating conditions. Of particular interest for the accuracy of CFD predictions are the effects on pressure loss due to inlet boundary layer thickness (dependent on upstream development length), and the wall treatment for the turbulence equations (conventional wall functions vs. wall integration using a two-layer model). The experimental data are reassessed in the form of an error analysis, and are compared with CFD predictions for 18 computational cases. Grid-independence, grid spacing, and convergence requirements of the cases are discussed. Conclusions regarding the relative importance of the parametric variables will be presented.

Brankovic, Andreja↗

Impact of downhole pressure and fluid-access on the effectiveness of wellbore cement expansion additives

Autogenous shrinkage of wellbore cement widely impairs zonal isolation. MgO-based cement expansion additives (CEAs) can mitigate this shrinkage, or even impart net expansion, by creating porosity through displacive crystal growth-processes. However, both MgO hydration and autogenous shrinkage behaviour depend strongly on stress state. Evaluation of CEA performance in wellbore cements therefore requires testing under elevated pressures representative for subsurface environments. We report experiments addressing the chemical and bulk volume changes that occur in cement hydrating at 10 MPa confining pressure and 90 °C. Volumetric response was investigated as function of MgO concentration, external water supply, and pore pressure decrease through water consumption during reaction. Results show the bulk expansion achieved using MgO-based CEAs diminishes markedly with increasing effective confining pressure or, equivalently, upon restricting fluid supply. This reduced expansion-potential under pressure has profound implications for slurry design, notably regarding CEA-concentrations required to counteract micro-annulus formation while maintaining low cement permeability.

36 MATERIALS SCIENCE↗

Fluctuations and power-law scaling of dry, frictionless granular rheology near the hard-particle limit

Here the flow of frictionless granular particles is studied with stress-controlled discrete element modeling simulations for systems varying in size from 300 to 100,000 particles. The volume fraction and shear-stress ratio μ are relatively insensitive to system size for a wide range of inertial numbers I. Second-order effects in strain rate, such as normal stress differences, require large system sizes to accurately extract meaningful results, notably a nonmonotonic dependence in the first normal stress difference with strain rate. The rheological response represented by the μ(I) scalar model works well at describing the lower-order aspects of the rheology, except near the quasistatic limit of these stress-controlled flows. The pressure is varied over five decades, and a pressure dependence of the coordination number is observed, which is not captured by the inertial number. Large fluctuations observed for small systems N≤1000 near the quasistatic limit can lead to the arrest of flow resulting in challenges to fitting the data to rheological relationships. The inertial number is also insufficient for capturing the pressure-dependent behavior of property fluctuations. Fluctuations in the flow and microstructural properties are measured in both the quasistatic and inertial regimes, including shear stress, pressure, strain rate, normal stress differences, volume fraction, coordination number, and contact fabric anisotropy. The fluctuations in flow properties scale self-similarly with pressure and system size. A transition in the scaling of fluctuations of stress properties and contact fabric anisotropy are measured and proposed as a quantitative identification of the transition from inertial to quasistatic flow.

36 MATERIALS SCIENCE↗

Reaching 90% Photoluminescence Quantum Yield in One-Dimensional Metal Halide C 4 N 2 H 14 PbBr 4 by Pressure-Suppressed Nonradiative Loss

Low-dimensional perovskite-related metal halides have emerged as a new class of light-emitting materials with tunable broadband emission from self-trapped excitons (STEs). Although various types of low-dimensional structures have been developed, fundamental understating of the structure–property relationships for this class of materials is still very limited, and further improvement of their optical properties remains greatly important. Here, we report a significant pressure-induced photoluminescence (PL) enhancement in a one-dimensional hybrid metal halide C 4 N 2 H 14 PbBr 4 , and the underlying mechanisms are investigated using in situ experimental characterization and first-principles calculations. Under a gigapascal pressure scale, the PL quantum yields (PLQYs) were quantitatively determined to show a dramatic increase from the initial value of 20% at ambient conditions to over 90% at 2.8 GPa. With in situ characterization of photophysical properties and theoretical analysis, we found that the PLQY enhancement was mainly attributed to the greatly suppressed nonradiative decay. Pressure can effectively tune the energy level of self-trapped states and increase the exciton binding energy, which leads to a larger Stokes shift. The resulting highly localized excitons with stronger binding reduce the probability for carrier scattering, to result in the significantly suppressed nonradiative decay. Overall, our findings clearly show that the characteristics of STEs in low-dimensional metal halides can be well-tuned by external pressure, and enhanced optical properties can be achieved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Near-Field Acoustical Characterization of Clustered Rocket Engines

This paper presents an approach for the prediction and characterization of the near-field acoustic levels from closely-spaced clustered rocket engines. The calculations are based on the method proposed by Eldred, wherein the flowfield from the clustered rockets is divided into two zones. Zone 1 contains the isolated nozzles which produce noise independently, and extends up to a distance where the individual flows completely mix to form an equivalent single nozzle flow. Zone 2 is occupied by the single mixed stream starting from the station where the jets merge. The acoustic fields from the two zones are computed separately on the basis of the NASA-SP method of Eldred developed for a single equivalent nozzle. A summation of the spectra for the two zones yields the total effective sound pressure level for the clustered engines. Under certain conditions of nozzle spacing and flow parameters, the combined sound pressure level spectrum for the clustered nozzles displays a double peak. Test cases are presented here to demonstrate the importance of hydrodynamic interactions responsible for the double peak in the sound spectrum in the case of clustered rocket nozzles, and the role of ground reflections in the case of non-interfering jets. A graphics interface (Rocket Acoustic Prediction Tool) has been developed to take into account the effects of clustered nozzles and ground reflections.

Kandula, Max↗

The Combined Strength of Thermodynamics and Comparative Planetology: Application of Activity Models to Core Formation in Terrestrial Bodies

Recent models for accretion of terrestrial bodies involve metal-silicate equilibrium as the metallic core formed during growth. Most elements considered are either refractory or well studied elements for which effects of pressure, temperature, oxygen fugacity, and metallic liquid composition are well known. There are a large number of elements that are both siderophile and volatile, whose fate in such models is unknown, largely due to a lack of data at comparable conditions and com-positions (FeNi core with light elements such as S, C, Si, and O). We have focused on Ge, In, As, Sb and determined the effect of Si and C on metal-silicate partitioning, and developed a thermo-dynamic model that allows application of these new data to a wide range of planetary bodies. New experiments: We have previously carried out experiments with FeSi metallic liquid at C-saturated conditions at 1600 and 1800 C [4]. In a new series of experiments we investigate the effect of Si in carbon-free systems at 1600 C for comparison. Experiments were carried out at 1 GPa in MgO capsules using the same basaltic starting composition as in previous studies. The MgO capsule reacts with the silicate melt to form more MgO-rich liquids that have 22-26 wt% MgO. Experimental met-als and silicates were analyzed using a combination of electron microprobe analysis and laser ablation ICP-MS. Results: The new results can be interpreted by considering Ge as an example, in the simple exchange equilibrium Fe + GeO = FeO + Ge, where the equilibrium constant Kd can be examined as a function of Si content of the metal. The slope of lnKd vs. (1-XSi) for this new series allows derivation of the epsilon interaction parameter for each of these four elements and Si (both C-saturated and C-free).All four elements have positive epsilon values, indicating that Si causes a decrease in the partition coefficients; values are 6.6, 6.5, 27.8 and 25.2 for In, Ge, As, and Sb, respectively, at 1 GPa and 1600 C. As an example of how large the effect of Si can be, these epsilon values correspond to activity coefficients (gamma) for As of 0.01 when XSi = 0, and up to gamma = 23 when XSi = 0.2. Combining these new results with previous determinations [5,6] of epsilon parameters for S and C for these elements allows us calculate activity of Ge, In, As, and Sb in Fe-Ni-Si-S-C-O metallic liquids. We apply this new model to sever-al terrestrial bodies such as Earth (Si-rich core), Mars (S-rich core), Moon (S-, C-, and Si-poor core), and Vesta, and examine the resulting core and mantle concentrations of these elements. Mantle concentrations of these four elements are well explained for Earth and Mars in models that call for mid-mantle equilibration between Si-bearing and S-bearing FeNi cores, respectively. Modeling results for the Moon and Vesta will also be presented.

Righter, K.↗

Melting point of iron at high pressure: An assessment of uncertainties and effect of electronic temperature

An accurate calculation of the melting point of iron at various pressures in the Earth's core is important for understanding the core structure, geodynamo, and the Earth's history. Previous studies have assessed the melt line of iron at these extreme conditions using various experimental measurement techniques as well as both ab initio and classic molecular dynamics simulations. However, experimental measurements have uncertainties up to several hundred Kelvin, and inconsistencies remain among simulation results. Here in this work, we propose an iterative framework that couples density functional theory (DFT) calculations and molecular dynamics simulations performed using an ensemble of interatomic potentials to assess the effect of electronic temperature on the melting point. We systematically validate the potentials by comparing lattice constants and phonon dispersion curves at 0 K and enthalpy differences between liquid and HCP, FCC, BCC phases of iron close to the melt line at 300 GPa with DFT. Our results show that HCP iron melts at 6144 K (at 300 GPa), BCC phase is thermodynamically unstable, and FCC is metastable at this temperature. The melting points of FCC and BCC phases at 300 GPa are 5858 and 5647 K, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of Containment on Defects in GeSi Crystals

Crystals grown without being in contact with a container have superior quality to otherwise similar crystals grown in direct contact with a container, especially with respect to impurity incorporation, formation of dislocations, and residual stress in crystals. "Detached" or "dewetted" Bridgman growth is similar to regular Bridgman growth in that most of the melt is in contact with the crucible wall, but the crystal is separated from the wall by a small gap, typically of the order of 10(exp -5) m. A small meniscus bridges the gap between the top of the crystal and the wall. Key parameters involved in achieving detached growth are the contact angle between the melt and crucible and the pressure differential across the meniscus. Sessile drop measurements were used to determine the wetting angles of Ge(sub 1-x)Si(sub x) melts on a variety of substrates and found that the highest wetting angles were achieved with pyrolitic boron nitride (pBN). GeSi crystals have been repeatedly grown detached in pBN crucibles but only occasionally in crucibles with lower wetting angles. Experiments have been conducted to assess the effect of pressure differential across the meniscus in sealed crucibles. This was done by adjusting the temperature profile after partial melting of the starting material. In a separate set of experiments, the pressure was controlled by connecting the volume below the meniscus to a regulated gas supply. The experiments were in agreement with calculations which predicted that stable detachment will only occur in crucibles with a low wetting angle over a relatively narrow range of pressure differential. Detached-grown crystals exhibited superior structural quality as evidenced by measurements of etch pit density, synchrotron white beam X-ray topography and double axis X-ray diffraction.

Volz, M. P.↗

Effect of Various Blade Modifications on Performance of a 16-Stage High-pressure-ratio Axial-flow Compressor.Angles 3 deg: Effect on Over-all Performance Characteristics of Decreasing Twelfth Through Fifteenth State Stator-blade Angles 3 deg - 1

The stator-blade angles in the twelfth to fifteenth stages of a 16-stage high-pressure-ratio axial-flow compressor were decreased 3 deg The over-all performance of this compressor is compared with the performance of the same compressor with standard blade angles. The matching characteristics of the modified compressor and a two-stage turbine were also obtained and compared with those of the compressor with the original blade angles and the same turbine.

Medeiros, Arthur A.↗

Bubble departure and sliding in high-pressure flow boiling of water

Bubble growth, departure and sliding in low-pressure flow boiling has received considerable attention in the past. However, most applications of boiling heat transfer rely on high-pressure flow boiling, for which very little is known, as experimental data are scarce and very difficult to obtain. In this work, we conduct an experiment using high-resolution optical techniques. By combining backlit shadowgraphy and phase-detection imaging, we track bubble shape and physical footprint with high spatial ($6\,\mathrm {\mu }{\rm m}$) and temporal ($33\,\mathrm {\mu }{\rm s}$) resolutions, as well as bubble size and position as bubbles nucleate and slide on top of the heated surface. We show that at pressures above 1 MPa bubbles retain a spherical shape throughout the growth and sliding process. We analytically derive non-dimensional numbers to correlate bubble velocity and liquid velocity throughout the turbulent boundary layer and predict the sliding of bubbles on the surface, solely from physical properties and the bubble growth rate. We also show that these non-dimensional solutions can be leveraged to formulate elementary criteria that predict the effect of pressure and flow rate on bubble departure diameter and growth time.

Mechanics↗

Validation of Test Methods for Air Leak Rate Verification of Spaceflight Hardware

As deep space exploration continues to be the goal of NASAs human spaceflight program, verification of the performance of spaceflight hardware becomes increasingly critical. Suitable test methods for verifying the leak rate of sealing systems are identified in program qualification testing requirements. One acceptable method for verifying the air leak rate of gas pressure seals is the tracer gas leak detector method. In this method, a tracer gas (commonly helium) leaks past the test seal and is transported to the leak detector where the leak rate is quantified. To predict the air leak rate, a conversion factor of helium-to-air is applied depending on the magnitude of the helium flow rate. The conversion factor is based on either the molecular mass ratio or the ratio of the dynamic viscosities. The current work was aimed at validating this approach for permeation-level leak rates using a series of tests with a silicone elastomer O-ring. An established pressure decay method with constant differential pressure was used to evaluate both the air and helium leak rates of the O-ring under similar temperature and pressure conditions. The results from the pressure decay tests showed, for the elastomer O-ring, that neither the molecular flow nor the viscous flow helium-to-air conversion factors were applicable. Leak rate tests were also performed using nitrogen and argon as the test gas. Molecular mass and viscosity based helium-to-test gas conversion factors were applied, but did not correctly predict the measured leak rates of either gas. To further this study, the effect of pressure boundary conditions was investigated. Often, pressure decay leak rate tests are performed at a differential pressure of 101.3 kPa with atmospheric pressure on the downstream side of the test seal. In space applications, the differential pressure is similar, but with vacuum as the downstream pressure. The same O-ring was tested at four unique differential pressures ranging from 34.5 to 137.9 kPa. Up to six combinations of upstream and downstream pressures for each differential pressure were compared. For a given differential pressure, the various combinations of upstream and downstream dry air pressures did not significantly affect the leak rate. As expected, the leak rate of the O-ring increased with increasing differential pressure. The results suggested that the current leak test pressure conditions, used to verify spacecraft sealing systems with elastomer seals, produce accurate values even though the boundary conditions do not model the space application.

helium leak detector↗

Performance of PEM Liquid-Feed Direct Methanol-Air Fuel Cells

A direct methanol-air fuel cell operating at near atmospheric pressure, low-flow rate air, and at temperatures close to 60oC would tremendously enlarge the scope of potential applications. While earlier studies have reported performance with oxygen, the present study focuses on characterizing the performance of a PEM liquid feed direct methanol-air cell consisting of components developed in house. These cells employ Pt-Ru catalyst in the anode, Pt at the cathode and Nafion 117 as the PEM. The effect of pressure, flow rate of air and temperature on cell performance has been studied. With air, the performance level is as high as 0.437 V at 300 mA/cm2 (90oC, 20 psig, and excess air flow) has been attained. Even more significant is the performance level at 60oC, 1 atm and low flow rates of air (3-5 times stoichiometric), which is 0.4 V at 150 mA/cm2. Individual electrode potentials for the methanol and air electrode have been separated and analyzed. Fuel crossover rates and the impact of fuel crossover on the performance of the air electrode have also been measured. The study identifies issues specific to the methanol-air fuel cell and provides a basis for improvement strategies.

Methanol-Air Fuel↗