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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

SHASTA-HELP: Hydrogen Estimator for Logistical Planning Tool

Underground reservoirs offer a promising option for medium- and long-term hydrogen storage that could potentially be safer and more cost-effective than surface alternatives. Currently, there are three underground hydrogen storage (UHS) facilities in the United States, which operate solely in salt caverns and store hydrogen primarily for industrial purposes. Salt formations favorable for geologic storage are geographically limited in the U.S. If a hydrogen economy is to develop, expansion of UHS to other geologic formations such as depleted gas fields and saline aquifers will be necessary to increase the availability of hydrogen storage. While research into the feasibility of storing hydrogen in these formations is ongoing, tools and methodologies are needed for characterizing the hydrogen storage potential in these reservoirs. We introduce the Hydrogen Estimator for Logistical Planning (HELP) tool from the Subsurface Hydrogen Assessment, Storage, and Technology Acceleration (SHASTA) project (https://edx.netl.doe.gov/shasta). SHASTA-HELP is a suite of web-based tools that have numerous capabilities for UHS project planning.

Haeri, Foad↗
DOE OSTI2016

Recovery and Recrystallization Behavior of Nb-Containing Fe-Cr-Al Alloys

Nuclear-grade wrought Fe-Cr-Al alloys are currently under development as promising accident-tolerant fuel cladding materials for light water reactors (LWRs) due to their superior oxidation and corrosion resistance in high temperature steam environments when compared with current commercial Zr-based alloys. Sufficient amounts of Cr and Al additions in Fe-Cr-Al alloys provide the improved surface protection effects at both the service temperature and elevated temperatures in the accident case scenario. Minor alloying additions (such as Nb in the current study) also promote the second-phase precipitates to strengthen the alloys; e.g. sub-micron size Fe{sub 2}Nb-type Laves phase precipitates are likely to disperse at both inter- and trans-granular in BCC-Fe matrix after applying proper heat treatments. In LWRs, a seamless tube product is required for the fuel cladding which typically has ∼ 4 m length with an outside diameter of ∼ 10 mm and a wall thickness of less than 0.5 mm, and it imposes considerable challenges for tube fabrication process (e.g. tube drawing) of Fe-Cr-Al alloys. Research has been performed to achieve a balance between high-temperature performance and tube fabricability in newly developed Fe-Cr-Al alloys. BCC-Fe materials with Cr and Al additions typically suffer from poor ductility because of relatively high ductile-brittle transition temperature. In this sense, the microstructural stability of refined grain or subgrain structure, even at high temperature, is critical to maintain the deformability of the alloys during tube fabrication process, as well as sufficient mechanical properties at service condition. In this study, the recovery and recrystallization behaviors of Nb-containing Fe-Cr-Al alloys are studied. A specific focus was to evaluate the stability of the subgrain structure of the deformed Fe-Cr-Al alloys, and seek optimized processing parameters for seamless tube fabrication. The present results clearly demonstrated that the Nb addition stabilizes the refined subgrain microstructures of Fe-Cr-Al alloys below 700 deg. C due to Laves phase precipitations along sub-boundaries when compared with the Nb-free alloys, while maintaining sufficient strengths needed for fuel cladding in LWRs. At the same time, the results also showed that Nb-containing alloys can be softened through suitable annealing to improve the processability of tube drawing process. Detailed characterization efforts of subgrains and Laves phase precipitates are currently in progress. Completion of this work will deepen the understanding of the recovery and recrystallized behavior of Nb-containing Fe-Cr-Al alloys and provide guidelines to tube drawing process in the alloys. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2024

Implementation of Surface Tension on a Reacting Flow Solver, PeleLM: Preprint

In liquid rocket engines, the fuel is supplied to the combustion chamber in the liquid state though injectors. Such fuel undergoes atomization, vaporization, and combustion processes. To design reliable and efficient injectors, it is required to understand the full processes. This research is part of an effort to develop a full atomization-vaporization-combustion solver from first principles. As an initial step to tackle the atomization process, a multiphase flow solver is under development. For the development, a library of the volume of fluid scheme for multiphase, IRL is coupled with a reacting Navier-Stokes equation solver, PeleLM. Furthermore, as the surface tension has considerable effects on spray breakup. surface tension is implemented in the momentum equation using the continuum surface force model and the improved height function technique.

height function↗
DOE OSTI2025

Computational and Experimental Investigation of Discrete “W” Turbulators for sCO2 Turbine Internal Cooling

Direct-fired supercritical CO2 (sCO2 ) cycles are of particular interest for power generation due to the potential for higher thermal efficiencies with inherent CO2 capture. Direct fired sCO2 turbines must withstand high temperatures and the density of the working fluid is much higher than conventional Brayton cycles. Based on conventional Brayton cycle applications, internal serpentine cooling channels with ribbed turbulator strips are a common approach to achieve the required cooling, while minimizing coolant utilization. Most of the previous studies of coolant channel heat transfer enhancements have focused on serpentine channels using air as the cooling media at Reynold’s numbers typical of Brayton cycles. This paper investigates the Nusselt number augmentation of coolant channels with no features, ribbed turbulators, and discrete “W” turbulators with surface roughness effects included and CO2 as the coolant. The numerical results are compared to experimental results using CO2 as the cooling media at Reynold’s numbers ranging from 100,000 to 300,000. The results show the Nusselt number augmentation plateaus with increasing Reynolds number, in contrast to the decay observed in prior publications with air as the coolant media. Additionally, the CFD results indicate the discrete “W” geometry provides a 10% increase in Nusselt number augmentation relative to the angled ribbed turbulators.

computational fluid dynamics (CFD)↗
DOE OSTI2013

Superconducting surface impedance under radiofrequency field

Based on BCS theory with moving Cooper pairs, the electron states distribution at 0K and the probability of electron occupation with finite temperature have been derived and applied to anomalous skin effect theory to obtain the surface impedance of a superconductor under radiofrequency (RF) field. We present the numerical results for Nb and compare these with representative RF field-dependent effective surface resistance measurements from a 1.5 GHz resonant structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Enhanced surface superconductivity in Ba(Fe 0.95 Co 0.05 ) 2 As 2

We present direct evidence for an enhanced superconducting Tc on the surface of cleaved single crystals of Ba(Fe 0.95 Co 0.05 ) 2 As 2 . Transport measurements performed on samples cleaved in ultra-high vacuum show a significantly enhanced superconducting transition when compared to equivalent measurements performed in air. Deviations from the bulk resistivity appear at 21 K, well above the 10 K bulk Tc of the underdoped compound. We demonstrate that the excess conductivity above the bulk Tc can be controllably suppressed by application of potassium ions on the cleaved surface, indicating that the enhanced superconductivity is strongly localized to the sample surface. Additionally, we find that the effects of the potassium surface dosing are strongly influenced by the presence of residual gas absorbates on the sample surface, which may prevent effective charge transfer from the potassium atoms to the FeAs plane. This further supports the conclusion that the effects of the dosing (and enhanced superconductivity) are localized within a few layers of the surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Dimensionality effects on multicomponent ionic transport and surface complexation in porous media

Coulombic interactions between charged species in pore water and at surface/solution interfaces are of pivotal importance for multicomponent reactive transport in porous media. In this study, we investigate the impact of domain dimensionality on electrostatically coupled dispersion and surface-solution reactions during transport of acidic plumes and major ions in porous media. Column and quasi two-dimensional flow-through experiments were performed, with identical silica porous media and under the same advection-dominated conditions. Equal mass fluxes of different electrolyte solutions (i.e., HCl - pH ~ 2.8, NaBr - 100 mM, HCl - pH ~ 2.8 plus NaBr - 100 mM) were continuously injected in the 1-D and 2-D experiments and breakthrough curves of pH and major ions were measured at the outlet of the domains. The presence of pronounced ionic strength gradients in the transverse direction in the 2-D setup caused distinct retardation and transport behaviors of protons and major ions which were not observed in the one-dimensional column experiments. Furthermore, in the cases of salt electrolytes injection, considerably enhanced release of H + (>61%) from the quartz surface was observed in the multidimensional system compared to the one-dimensional setup. Reactive transport modeling was performed to reproduce the experimental outcomes and to analyse the coupling between transport processes, based on the Nernst-Planck formulation of diffusive/dispersive fluxes and on surface complexation reactions at the solid-solution interface. Electrostatic interactions between Na + , B – , and H + , and deprotonation of the quartz surface upon the formation of sodium outer-sphere complexes, are the primary controllers of the spatial and temporal features displayed by the pH and major ions measurements. The reactive transport simulations allowed us to interpret the experimental observations, to visualize the distribution and spatio-temporal evolution of dissolved and solid species, to identify a spatially heterogeneous zonation of Coulombic interactions with distinct behavior at the fringe and core of the injected plumes in the multidimensional setup, and to quantify the different components of the Nerst-Planck fluxes of the charged solutes. This study demonstrates that the domain dimensionality directly affects electrostatic interactions between charged aqueous species in the pore water and surface complexation reactions at the solid-solution interface. The non-trivial effects of dimensionality on multicomponent ionic transport result in a significantly different behavior in 1-D and 2-D systems.

58 GEOSCIENCES↗
DOE OSTI2013

Tomographic investigation of fermi level pinning at focused ion beam milled semiconductor surfaces

Electron holography in the transmission electron microscope (TEM) offers the spatial and signal resolution for studying effects like Fermi level pinning or dopant concentration variations important for the design of modern electronic devices. To overcome the loss of information along the projection direction, surface effects, and surface damage due to TEM specimen preparation, we apply electron holographic tomography to analyze the 3D potential distribution of semiconductor samples prepared by focused-ion-beam. We observe mid-band gap pinning of the Fermi level at Si surfaces but valence band pinning at Ge surfaces. The pinning extends over tens of nanometers into the bulk.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Effect of the ultrasonic frequency on the multiple X-ray scattering from a LiNbO{sub 3} crystal modulated by a surface acoustic wave

The effect of multiple scattering on the formation of the {theta}-2{theta} scan curves for a crystal modulated by a surface acoustic wave (SAW), depending on the ultrasonic frequency, has been investigated in the frame-work of the dynamical theory of X-ray diffraction. A model of a Rayleigh surface wave has been analyzed as applied to X-ray diffraction with allowance for the transverse and longitudinal elastic lattice strains. Using the example of the 127 Degree-Sign Y Prime cut of the LiNbO{sub 3} crystal, it is established that the effects of multiple scattering can be neglected for ultrasonic frequencies above 650 MHz; this finding significantly simplifies the numerical calculations of X-ray diffraction from a crystal modulated by a short-wavelength SAW. A comparative quantitative analysis of the experimental data on synchrotron scattering from the 127 Degree-Sign Y Prime cut of a LiNbO{sub 3} crystal modulated by a 952-MHz SAW have been performed, both taking into account and neglecting the effects of multiple scattering. It is shown that the computation time can be reduced by 2 to 3 orders of magnitude.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Pure dipolar-interacted CoFe{sub 2}O{sub 4} nanoparticles and their magnetic properties

Graphical abstract: The mono-dispersed CoFe{sub 2}O{sub 4} nanoparticles with the uniform size of 10.5 ± 2 nm were first synthesized and then they were embedded in amorphous SiO{sub 2} matrix with different CoFe{sub 2}O{sub 4} nanoparticles’ concentrations. The large coercivity (3056 Oe) and the remanence ratio (0.63) were obtained by suitably diluting CoFe{sub 2}O{sub 4} nanoparticles into the SiO{sub 2} matrix. The reciprocal of the absolute maximum of δm and the M{sub r}/M{sub s} ratio behave in the same trend (as shown in (e)), indicating that the M{sub r}/M{sub s} ratio was dominated by the interparticle dipolar interaction. The present work is meaningful for revealing the underlying mechanism in nano-scaled magnetic system and improving the magnetic performance. - Highlights: • The mono-dispersed CoFe{sub 2}O{sub 4} nanoparticles with the uniform size of 10.5 ± 2 nm were synthesized by the thermal decomposition of metals acetylacetonates in solvents with high boiling point. • The large coercivity (3056 Oe) and the remanence ratio (0.63) were obtained by diluting CoFe{sub 2}O{sub 4} nanoparticles into the SiO{sub 2} matrix with a suitable concentration. • The surface anisotropy and interparticle dipolar interaction affect the magnetic performance and magnetic ordering state. • It was observed that the M{sub r}/M{sub s} ratio was dominated by the interparticle dipolar interaction. - Abstract: The mono-dispersed and uniform CoFe{sub 2}O{sub 4} nanoparticles were synthesized by the thermal decomposition of Fe(acac){sub 3} and Co(acac){sub 2}. Then the CoFe{sub 2}O{sub 4} nanoparticles were diluted in amorphous SiO{sub 2} matrix with different CoFe{sub 2}O{sub 4} nanoparticles’ concentrations. All samples show the positive or negative exchange bias behavior, indicating the presence of canted spin layer at the CoFe{sub 2}O{sub 4} nanoparticles’ surface. The large effective anisotropy constant (3.38 × 10{sup 6} erg/cm{sup 3}) was observed, which can be attributed to the induced surface anisotropy by the canted surface spins. The reduced magnetization (M{sub r}/M{sub s}) was dominated by the interparticle dipolar interaction while the coercivity (H{sub c}) was determined by the synergistic effects of the surface anisotropy, interparticle dipolar interaction and interface effect. By suitably diluting CoFe{sub 2}O{sub 4} in the SiO{sub 2} matrix, the high H{sub c} (3056 Oe) and the M{sub r}/M{sub s} (0.63) can be obtained, which is larger than most of those reported before. The present work is meaningful for revealing the underlying mechanism in nano-scaled magnetic system and improving the magnetic performance.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of annealing on the laser induced damage of polished and CO{sub 2} laser-processed fused silica surfaces

We investigate the effect of different heat treatments on the laser-induced damage probabilities of fused silica samples. Isothermal annealing in a furnace is applied, with different temperatures in the range 700–1100 °C and 12 h annealing time, to super-polished fused silica samples. The surface flatness and laser damage probabilities at 3 ns, 351 nm are measured before and after the different annealing procedures. We have found a significant improvement of the initial laser damage probabilities of the silica surface after annealing at 1050 °C for 12 h. A similar study has been conducted on CO{sub 2} laser-processed sites on the surface of the samples. Before and after annealing, we have studied the morphology of the sites, the evolution of residual stress, and the laser-induced damage threshold measured at 351 nm, 3 ns. In this case, we observe that the laser damage resistance of the laser created craters can reach the damage level of the bare fused silica surface after the annealing process, with a complete stress relieve. The obtained results are then compared to the case of local annealing process by CO{sub 2} laser irradiation during 1 s, and we found similar improvements in both cases. The different results obtained in the study are compared to numerical simulations made with a thermo-mechanical model based on finite-element method that allows the simulation of the isothermal or the local annealing process, the evolution of stress and fictive temperature. The simulation results were found to be very consistent with experimental observations for the stresses evolution after annealing and estimation of the heat affected area during laser-processing based on the density dependence with fictive temperature. Following this work, the temperature for local annealing should reach 1330–1470 °C for an optimized reduction of damage probability and be below the threshold for material removal, whereas furnace annealing should be kept below the annealing point to avoid sample deformation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Kinetic and structural studies, origins of selectivity, and interfacial charge transfer in the artificial photosynthesis of CO

The effective design of an artificial photosynthetic system entails the optimization of several important interactions. Herein we report stopped-flow UV-Vis spectroscopy, X-ray crystallography, DFT, and electrochemical kinetic studies of the Re(bipy-tBu)(CO)3(L) catalyst system. A remarkable selectivity for CO2 over H+ was observed by stopped-flow UV-Vis spectroscopy of [Re(bipy-tBu)(CO)3]-. The pseudo-first order rate constant for the reaction with 10 mM CO2 in THF is 35 s-1. This is ca. 15-20 times faster than the reactions with water or methanol at the same concentration in THF. X-ray crystallography and DFT studies of the doubly-reduced anionic species suggest that the HOMO has mixed metal-ligand character rather than being purely dz 2, which is thought to aid catalytic selectivity by favoring binding of CO2 over H+. Electrocatalytic studies performed with the addition of Brönsted acids reveal a primary H/D kinetic isotope effect, indicating that transfer of protons to Re-CO2 is involved in the rate limiting step. Lastly, the effects of electrode surface modification on interfacial electron transfer between a semiconductor and catalyst were investigated and found to affect the observed catalytic rates up to seven-fold, indicating that the properties of the electrode surface should not be overlooked when developing a homogeneous artificial photosynthetic system. This research was supported at the University of Washington, Seattle by the Camille and Henry Dreyfus Postdoctoral Program in Environmental Chemistry (for a fellowship to A. J. M. M.), and, for funds to purchase the stopped-flow instrument, the U.S. National Institutes of Health 13 (Grant GM-50422 to JMM), and the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.

Smieja, Jonathan M↗
DOE OSTI2015

Study of lysozyme mobility and binding free energy during adsorption on a graphene surface

Understanding protein adsorption is a key to the development of biosensors and anti-biofouling materials. Hydration essentially controls the adsorption process on hydrophobic surfaces, but its effect is complicated by various factors. Here, we present an ideal model system to isolate hydration effects—lysozyme adsorption on a flat hydrophobic graphene surface. Our all-atom molecular dynamics and molecular-mechanics/Poisson-Boltzmann surface area computation study reveal that lysozyme on graphene displays much larger diffusivity than in bulk water. Protein's hydration free energy within the first hydration shell is dominated by the protein-water electrostatic interactions and acts as an energy barrier for protein adsorption. On the other hand, the surface tension, especially that from the hydrophobic graphene, can effectively weaken the barrier to promote adsorption.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Proximity-effect-induced Superconducting Gap in Topological Surface States – A Point Contact Spectroscopy Study of NbSe 2 /Bi 2 Se 3 Superconductor-Topological Insulator Heterostructures

Proximity-effect-induced superconductivity was studied in epitaxial topological insulator Bi 2 Se 3 thin films grown on superconducting NbSe 2 single crystals. A point contact spectroscopy (PCS) method was used at low temperatures down to 40 mK. An induced superconducting gap in Bi 2 Se 3 was observed in the spectra, which decreased with increasing Bi 2 Se 3 layer thickness, consistent with the proximity effect in the bulk states of Bi 2 Se 3 induced by NbSe 2 . At very low temperatures, an extra point contact feature which may correspond to a second energy gap appeared in the spectrum. For a 16 quintuple layer Bi 2 Se 3 on NbSe 2 sample, the bulk state gap value near the top surface is ~159 μeV, while the second gap value is ~120 μeV at 40 mK. The second gap value decreased with increasing Bi 2 Se 3 layer thickness, but the ratio between the second gap and the bulk state gap remained about the same for different Bi 2 Se 3 thicknesses. It is plausible that this is due to superconductivity in Bi 2 Se 3 topological surface states induced through the bulk states. In conclusion, the two induced gaps in the PCS measurement are consistent with the three-dimensional bulk state and the two-dimensional surface state superconducting gaps observed in the angle-resolved photoemission spectroscopy (ARPES) measurement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Symmetric spectrum current drive due to finite radial drift effects

We report the drift surfaces of minority heated ions differ from flux surfaces due to finite poloidal gyroradius effects. As the minority poloidal gyroradius approaches radial scale lengths in the plasma, the difference between drift and flux surfaces can modify the heating and lead to a symmetric spectrum minority counter-current being driven. In response, a corresponding overall net co-current of comparable size is driven. This beneficial symmetric spectrum current drive in a tokamak is due to the parallel velocity asymmetry in the drift departure from a flux surface. As this new source of driven current is a side effect of minority heating it comes without any additional economic cost to reactor power balance. The symmetric spectrum current driven for near Maxwellian minorities is evaluated by an adjoint method and found to be modest. However, minority heating typically results in strong non-Maxwellian features on minority distributions so it may be possible to drive a significantly larger co-current. A related evaluation is performed for alpha particles in a deuterium minority heated plasma with a tritium majority. The low density of the alphas tends to keep this driven symmetric spectrum current small, but at very high heating levels a significant co-current might be driven. Other mechanisms to drive co-current with a symmetric spectrum are discussed and estimated, including asymmetric electron drag and focusing of the applied minority heating radio frequency fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Ion transport through single-walled carbon nanotubes: Effects of electric field and fixed surface charge

The ion permeation trends for an aqueous sodium chloride solution through negatively charged carbon nanotubes under the simultaneous effects of a concentration gradient and an electric field using Molecular Dynamics simulations is investigated. A two-stage ion transport process was observed that resulted in a tunable effective ion flux toward the low concentration reservoir wherein the first stage resembled an electric-field assisted counter-ion (sodium) migration to the downstream reservoir for a short period of time followed by a second stage consisting of diffusion-driven electrolyte transport governed by the strength of the Donnan potential formed by the fixed charge on the nanotube.

Chemistry↗