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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Local structural investigation of non-crystalline materials at high pressure: the case of GeO 2 glass

Abstract Local structures play a crucial role in the structural polyamorphism and novel electronic properties of amorphous materials, but their accurate measurement at high pressure remains a formidable challenge. In this article, we use the local structure of network-forming GeO 2 glass as an example, to present our recent approaches and advances in high-energy x-ray diffraction, high-pressure x-ray absorption fine structure, and ab initio first-principles density functional theory calculations and simulations. Although GeO 2 glass is one of the best studied materials in the field of high pressure research due to its importance in glass theory and geophysical significance, there are still some long-standing puzzles, such as the existence of appreciable distinct fivefold [5] Ge coordination at low pressure and the sixfold-plus [6+] Ge coordination at ultrahigh pressure. Our work sheds light on the origin of pressure-induced polyamorphism of GeO 2 glass, and the [5] Ge polyhedral units may be the dominant species in the densification mechanism of network-forming glasses from tetrahedral to octahedral amorphous structures.

Physics↗
DOE OSTI2024

Feasibility study for test rig assessments of fish passage conditions in a Kaplan turbine

The assessment of fish passage conditions in hydroelectric turbines consists of identifying and quantifying physical magnitudes leading to increased risks of injury of fish passing through turbines in operation. Such assessments are usually carried out either with the use of computer-based methods during design or with field testing of live fish and sensors passing through prototypes. A method in between consists of test rig experimentation, which is critical for testing fish-focused design concepts and offers the opportunity for implementing the most effective design measures for improved fish survivability. However, fish-related assessments in test rigs are not sufficiently documented for industrial applications. This work presents the main findings of an experimental campaign to quantify fish-related hydraulic magnitudes in a physical model of a Kaplan turbine in a commercial test rig. Two operating conditions were tested by releasing miniaturized autonomous sensor devices (termed Sensor Fish Mini) at the turbine intake flow, passing them through the runner in motion and recovering them at the draft tube exit. During passage, time series of acceleration, absolute pressure and rotational velocity were recorded. The recordings were then interpreted to determine the magnitude and likely location of hydraulic stressors hazardous to fish. The statistical tests on the reported measurements indicated that low pressure, collisions on the runner and rotations in the draft tube were not different between the two tested operating points. On the other hand, pressure drop and collision rates on the distributor differed considerably as a function of net head. The outcomes of this investigation showed that test rig evaluations of fish-related properties with Sensor Fish Mini can contribute to an evidence-based development of turbine geometries designed for providing safer passage conditions. Future work will investigate the scaling of test rig measurements to hydraulically equivalent magnitudes in the prototype and their biological consequences.

13 HYDRO ENERGY↗
DOE OSTI2023

Viscosity anomaly of a metallic glass-forming liquid under high pressure

Viscosity, as a critical property closely associated with the glass-forming ability of a liquid, has been extensively studied with varying temperatures. However, its pressure dependence has not been well explored yet due to experimental difficulties. Here, we measured the viscosity of a metallic glass-forming liquid, Zr 46 Cu 37.6 Ag 8.4 Al 8 , at pressures up to 6.1 GPa above the melting points by falling-sphere viscometry with ultrafast synchrotron x-ray imaging. Overall, the viscosity increases with pressure, while surprisingly, there is an abrupt drop between 3.2 GPa and 3.7 GPa, indicating the possible existence of a pressure-induced liquid-to-liquid transition. Pressure could change the short- and medium-range orders in the multicomponent glass-forming liquid, as suggested by the different crystalline outcomes after cooling to room temperature at high- and low-pressure ranges. In conclusion, our work extended the viscosity investigation of metallic glass-forming liquids to the high-pressure regime, which will expand our understanding of liquid-liquid transitions and metallic glass formation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Additively Manufactured Molten Salt to Supercritical Carbon Dioxide Heat Exchanger

Design, fabrication, and experimental characterization of the performance of a molten salt (MS)-to-supercritical carbon dioxide (sCO 2 ) heat exchanger (HE) for concentrating solar power (CSP) applications using laser powder bed fusion (LPBF) additive manufacturing (AM) of nickel-based superalloys is presented in this report. The hypothesis is that such additively manufactured HEs will result in a monolithic, compact, low-pressure drop HE that is durable under cyclic operation at high temperature and high pressure in a corrosive salt environment. Two nickel-based superalloys were considered in the project- Haynes 230 (H230) and Haynes 282 (H282). Process windows for LPBF AM were established to provide dense low porosity parts for both alloys. Creep tests results on heat treated AM H230 and H282 samples showed that the AM fabricated specimens were as robust as the wrought specimens and showed no deficit in creep strength at high temperatures. Haynes 282 was down selected for the HE fabrication based on better dimensional tolerance, better corrosion resistance to chloride salt, and higher creep strength.

14 SOLAR ENERGY↗
DOE OSTI2022

Dissociation-induced depletion of high-energy reactant molecules as a mechanism for pressure-dependent rate constants for bimolecular reactions

In 1922, Lindemann proposed the now-well-known mechanism for pressure-dependent rate constants for unimolecular reactions: reactant molecules with sufficiently high energies dissociate more quickly than collisions can reestablish the Boltzmann distribution of the internal energies of the molecule during its dissociation at low pressures – yielding pressure-dependent rate constants for unimolecular reactions due to the preferential depletion of the high energy states capable of dissociation. In the last century, incredible progress has been made in achieving a far greater understanding of and quantitative predictions for unimolecular and association reactions. In the modern era, pressure-dependent phenomenological rate constants are now nearly universally used to describe the rates of unimolecular and associative reactions in phenomenological kinetic modeling. However, there is a second, more indirect, implication of Lindemann’s mechanism that relates to how these dissociation-induced non-equilibrium distributions impact bimolecular reactions, including non-associative bimolecular reactions – which are generally not considered to have pressure-dependent rate constants. Yet, as we show herein, the same high energy states depleted due to dissociation would otherwise react most rapidly in high-activation-energy bimolecular reactions – yielding a mechanism for pressure-dependent rate constants for bimolecular reactions (including non-associative reactions). Here, we present results from a case study for CH 2 O dissociation, isomerization, and bimolecular reaction with O2 to explore this question. Results from our master equation calculations indicate that the effect of dissociation-induced non-equilibrium distributions on bimolecular reactions can be substantial – even when chemical timescales are well separated from internal energy relaxational timescales (i.e. when the traditional rate constant description would be thought to apply). This effect is found to be more pronounced – and more complex – for bimolecular reactions involving molecular entities whose chemical timescales are merged with the internal energy relaxational timescales. Lastly, we present some ideas for discussion regarding what should be considered as “chemical species” in phenomenological kinetic models.

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

Challenges in Kinetic modeling of ammonia pyrolysis

Ammonia pyrolysis reactions have implications for its ignition and oxidation in engines and gas turbines. In the present work, the chemistry of ammonia pyrolysis is investigated by kinetic modeling and theory. Rate constants for key reactions are carefully evaluated based on available experimental and theoretical results. The high pressure limit k1,∞ for NH 2 + H (+M) ⇄ NH 3 (+M) (R1) is calculated to be essentially the collision frequency, indicating that dissociation of ammonia in combustion processes will be at or close to the low pressure limit even at engine and gas turbine conditions. The chemical kinetic model is validated against reported shock tube measurements of NH 3 , NH 2 , and NH in ammonia pyrolysis. Predictions are in good agreement with observations for dilute conditions (≤ 0.5% NH 3 ), but the model appears to underpredict the NH 3 consumption rate at longer times in less dilute mixtures. At short reaction times, thermal dissociation of NH3, together with the NH 3 + H reaction, controls conversion. At longer times, secondary reactions involving NH 2 and NH become important due to their impact on the radical pool. Predictions become sensitive to formation and consumption of diazene (tHNNH and cHNNH). Several of the key steps in the ammonia pyrolysis mechanism are radical-radical reactions that are difficult to measure accurately and challenging to calculate theoretically, and a more comprehensive experimental characterization is desirable to support further model development.

10 SYNTHETIC FUELS↗
DOE OSTI2023

Reaction between Hydrogen and Ferrous/Ferric Oxides at High Pressures and High Temperatures—Implications for Sub-Neptunes and Super-Earths

Abstract Sub-Neptune exoplanets may have thick hydrogen envelopes and therefore develop a high-pressure interface between hydrogen and the underlying silicates/metals. Some sub-Neptunes may convert to super-Earths via massive gas loss. If hydrogen chemically reacts with oxides and metals at high pressures and temperatures ( P − T ), it could impact the structure and composition of the cores and atmospheres of sub-Neptunes and super-Earths. While H 2 gas is a strong reducing agent at low pressures, the behavior of hydrogen is unknown at the P − T expected for sub-Neptunes’ interiors, where hydrogen is a dense supercritical fluid. Here we report experimental results of reactions between ferrous/ferric oxides and hydrogen at 20–40 GPa and 1000–4000 K utilizing the pulsed laser-heated diamond-anvil cell combined with synchrotron X-ray diffraction. Under these conditions, hydrogen spontaneously strips iron off the oxides, forming Fe-H alloys and releasing oxygen to the hydrogen medium. In a planetary context where this reaction may occur, the Fe-H alloy may sink to the metallic part of the core, while released oxygen may stabilize as water in the silicate layer, providing a mechanism to ingas hydrogen to the deep interiors of sub-Neptunes. Water produced from the redox reaction can also partition to the atmosphere of sub-Neptunes, which has important implications for understanding the composition of their atmospheres. In addition, super-Earths converted from sub-Neptunes may contain a large amount of hydrogen and water in their interiors (at least a few wt% H 2 O). This is distinct from smaller rocky planets, which were formed relatively dry (likely a few hundredths wt% H 2 O).

58 GEOSCIENCES↗
DOE OSTI2024

Portable self-contained pressure testing manifold and associated methods

A portable, case-enclosed pressure test manifold, configured to support both pneumatic and hydrostatic pressure testing, and comprising a downstream fluid path (e.g., a system test gauge, a ball valve, a system test port, a system relief valve, and other components/piping) and an upstream fluid path (e.g., a low-pressure gauge, a high-pressure gauge, and other components/piping). A regulator and/or the ball valve selectively operate the downstream fluid path, defining a hydrostatic pressure testing path, to receive a liquid; and the upstream fluid path in combination with the downstream fluid path, defining a pneumatic pressure testing path, to receive a gas. Manifold components are pressure rated based on use and are ASME Code B31.3 compliant. A flexible hose connects with either of the pneumatic pressure testing path and the hydrostatic pressure testing path of the manifold. The case includes parking receptables and a carrying handle configured to stow the hose during transport.

Milholland, Roger A.↗
DOE OSTI2024

Effect of neutron beamline irradiation on hydrogen equilibrium vapor pressure over hydrided Zircaloy-4

Here, the effect of neutron irradiation on the hydrogen equilibrium vapor pressure over hydrided samples of nickel-plated Zircaloy-4 was evaluated at the Washington State University Research Reactor’s epithermal beamline facility. To enable this study, a measurement capability was designed and assembled to obtain low pressure (<0.1 Pa) measurements over the temperature range of interest (i.e., ~300° - 400°C). Measurement results were in good agreement with tends extrapolated from previous data obtained at higher temperatures as well as recent thermodynamic data. No irradiation enhancement of vapor pressure was observed under the incident flux of epithermal neutrons over this temperature range.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Microwave breakdown of sub-atmospheric argon gas in the vicinity of a microgap

The microwave electric field at breakdown for argon gas in a microgap (generally, gap size <1 mm) over a wide range of pressures and gap sizes was found to exhibit two behavioral pressure regimes. A high microwave electric field was established in the gap of a re-entrant mode resonator. By slowly raising the microwave electric field level, a breakdown level is reached where impact ionization induces low pressure argon gas to breakdown preferentially outside of the gap. At high pressure, breakdown is found to occur preferentially inside the gap, but only after the pressure is high enough for impact ionization to produce breakdown there. Impact ionization has a lower threshold electric field than the boundary-controlled processes, such as secondary electron emission, that would eventually produce breakdown inside the microgap if impact ionization did not occur first. Thus, the lower pressure regime is characterized by breakdown outside of the gap, while in the high-pressure regime, breakdown occurs inside the gap, in both cases by impact ionization. The transition pressure P T between these two pressure regimes depends on the gap size d gap , roughly as P T ∝ d gap –2 . Consistent with the model developed here, this corresponds to the full-amplitude of electron oscillation in the gap field being commensurate with the gap size.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

High-pressure synthesis and thermodynamic stability of PdH 1±ε up to 8 GPa

Palladium hydride alloys are superconductors and hydrogen storage materials. One synthesis route is compression of Pd to high pressure in a hydrogen-rich environment. Here we report the evolution of the unit cell volume of PdH x synthesized by compressing Pd in a pure H 2 medium to pressures from 0.2 to 8 GPa in a diamond anvil cell at room temperature. The volume of the face-centered cubic unit cell changes nonmonotonically with pressure, increasing upon compression from 0.2 to 1 GPa and decreasing upon compression from 1 to 8 GPa. Volume is reversible upon decompression and is independent of whether the sample was heated to 600 K at low pressure (P < 2 GPa). The x-ray diffraction data show no evidence for a phase transition between 0.2 and 8 GPa. The volume maximum at 1 GPa must be caused by progressive hydrogenation from 0 to 1 GPa. Assuming a pressure-volume-composition equation of state derived from previously published data, the [H]:[Pd] ratio in this study increases to a maximum value of x = 1 ± 0.02 at 2 ± 0.5 GPa and remains stable upon further compression to and from 8 GPa. These results add to a mounting body of evidence that PdH 1±ϵ is in thermodynamic equilibrium with pure H 2 at room temperature from 2 GPa to at least 8 GPa. Here, the simplest interpretation is that H atoms occupy all octahedral sites and no tetrahedral sites in face-centered cubic PdH 1.0 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Pressure tuning of competing interactions on a honeycomb lattice

Exchange interactions are mediated via orbital overlaps across chemical bonds. Thus, modifying the bond angles by physical pressure or strain can tune the relative strength of competing interactions. Here we present a remarkable case of such tuning between the Heisenberg (J) and Kitaev (K) exchange, which respectively establish magnetically ordered and spin liquid phases on a honeycomb lattice. We observe a rapid suppression of the Néel temperature (T N ) with pressure in Ag 3 LiRh 2 O 6 , a spin-1/2 honeycomb lattice with both J and K couplings. Using a combined analysis of x-ray data and first-principles calculations, we find that pressure modifies the bond angles in a way that increases the ∣K/J∣ ratio and thereby suppresses T N . Consistent with this picture, we observe a spontaneous onset of muon spin relaxation (μSR) oscillations below T N at low pressure, whereas in the high pressure phase, oscillations appear only when T < T N /2. Unlike other candidate Kitaev materials, Ag 3 LiRh 2 O 6 is tuned toward a quantum critical point by pressure while avoiding a structural dimerization in the relevant pressure range.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Probabilidad de que los murcielagos sufran barotraumatismo cerca de palas de aerogeneradores en movimiento (Spanish)

In October 2018, the International Energy Agency Wind Task 34 - Working Together to Resolve the Environmental Effects of Wind Energy (WREN) - organized a virtual forum to discuss the likelihood of bats experiencing barotrauma when flying near moving wind turbine blades. The forum included experts in bat biology and physiology, bat and wind turbine interactions, wind turbine technology, and atmospheric sciences. This educational brief summarizes the discussion during the forum and written comments from those who could not attend. Relevant literature was used to provide additional context when needed. Possible explanations regarding the direct cause of bat mortality at operating wind turbines are (1) blunt force trauma caused by turbine blades striking individual bats, often referred to as collisions, and (2) barotrauma, resulting from exposure to pressure changes located near the surface of moving wind turbine blades. While collision- related mortality is easily understood, the mechanism causing barotrauma is more complex. Fast-moving wind turbine blades create regions of high- and low-pressure variations along the blade surfaces. If bats fly within these regions, the rapid change in pressure may cause internal bleeding, damage to lungs or other organs, and damage to the inner ear. However, sufficient data demonstrating barotrauma as a common cause of bat mortality at wind turbines are lacking. Moreover, the pressure variation necessary to cause barotrauma in bats is so close to the surface of turbine blades that there is a higher probability of direct contact with the blades than of solely experiencing barotrauma. Regardless of the cause, bats are interacting with fast-moving wind turbine blades, and these interactions are resulting in fatalities. Resolving this issue will require a better understanding of bat behavior and cost-effective measures to reduce interactions between bats and wind turbines. This is the Spanish translation of NREL/FS-5000-84749, "The Likelihood of Bats Experiencing Barotrauma Near Moving Wind Turbine Blades."

barotrauma↗
DOE OSTI2023

Fluid power circuit having switch-mode power transformer and methods

A fluid power circuit with a switch-mode power transformer used to transfer power while keeping the pressure of power source and reverse osmosis processes relatively decoupled. The switch-mode power transformer uses the inertia of a hydraulic motor driven electric generator and switching of a hydraulic motor inlet between high and low-pressure ends to decrease the pressure at which power is being transmitted to a reverse osmosis process.

Simmons, II, Jeremy W.↗
DOE OSTI2025

Building wet planets through high-pressure magma–hydrogen reactions

Close-in transiting sub-Neptunes are abundant in our Galaxy. Planetary interior models based on their observed radius–mass relationship suggest that sub-Neptunes contain a discernible amount of either hydrogen (dry planets) or water (wet planets) blanketing a core composed of rocks and metal. Water-rich sub-Neptunes have been believed to form farther from the star and then migrate inwards to their present orbits. Here we report experimental evidence of reactions between warm, dense hydrogen fluid and silicate melt that release silicon from the magma to form alloys and hydrides at high pressures. We found that oxygen liberated from the silicate melt reacts with hydrogen, producing an appreciable amount of water up to a few tens of weight per cent, which is much greater than previously predicted based on low-pressure ideal gas extrapolation. Consequently, these reactions can generate a spectrum of water contents in hydrogen-rich planets, with the potential to reach water-rich compositions for some sub-Neptunes, implying an evolutionary relationship between hydrogen-rich and water-rich planets. Therefore, detection of a large amount of water in exoplanet atmospheres may not be the optimal evidence for planet migration in the protoplanetary disk, calling into question the assumed link between composition and planet formation location.

Horn, H. W. [Arizona State University, Tempe, AZ (↗
DOE OSTI2023

Sound Velocity and Equation of State of Ballistic Gelatin by Brillouin Scattering

Brillouin scattering spectroscopy with diamond anvil cells was used by measuring the pressure dependence of the sound-relevant polymer material, glass-forming liquid, and H 2 O (water and ice VII) velocities of the material from ambient pressure to 12 GPa at room temperature. Measurements of 20%, 10%, and 4% gelatin solutions were performed. For comparison purposes, we also measured the pressure dependence of the sound velocity of animal tissue up to 10 GPa. We analyzed the Brillouin data using the Tait and Vinet equations of state. We discussed the possible influence of frequency dispersion on bulk modulus at low pressure. We compared the elastic moduli obtained for gelatin to those of several other polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Lattice expansion and ligand twist during CO2 adsorption in flexible Cu bipyridine metal–organic frameworks

Flexible metal–organic frameworks (MOFs) can show exceptional selectivity and capacity for adsorption of CO 2 . The incorporation of CO 2 into flexible MOFs that have Cu 2+ coordination centers and organic pillar ligands is accompanied by a distortion of the framework lattice arising from chemical interactions between these components and CO 2 molecules. CO 2 adsorption yields a reproducible lattice expansion that is enabled by the rotation of the pillar ligands. The structures of Cu 2 (pzdc) 2 (bpy) and Cu 2 (pzdc) 2 (bpe), CPL-2 and CPL-5, were evaluated using in situ synchrotron X-ray powder diffraction at room temperature at CO 2 gas pressures up to 50 atm. The structural parameters exhibit hysteresis between pressurization and depressurization. The pore volume within CPL-2 and CPL-5 increases at elevated CO 2 pressure due to a combination of the pillar ligand rotation and the overall expansion of the lattice. Volumetric CO 2 adsorption measurements up to 50 atm reveal adsorption behavior consistent with the structural results, including a rapid uptake of CO 2 at low pressure, saturation above 20 atm, and hysteresis evident as a retention of CO 2 during depressurization. Finally, a significantly greater CO 2 uptake is observed in CPL-5 in comparison with predictions based on CO 2 pressure-induced expansion of the pore volume available for adsorption, indicating that the flexibility of the CPL structures is a key factor in enhancing adsorption capacity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗