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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Measurements and interpretation of shock tube ignition delay times in highly CO 2 diluted mixtures using multiple diagnostics

Common definitions for ignition delay time are often hard to determine due to the issue of bifurcation and other non-idealities that result from high levels of CO 2 addition. Using high-speed camera imagery in comparison with more standard methods (e.g., pressure, emission, and laser absorption spectroscopy) to measure the ignition delay time, the effect of bifurcation has been examined in this study. Experiments were performed at pressures between 0.6 and 1.2 atm for temperatures between 1650 and 2040 K. The equivalence ratio for all experiments was kept at a constant value of 1 with methane as the fuel. The CO 2 mole fraction was varied between a value of X CO2 = 0.00 to 0.895. The ignition delay time was determined from three different measurements at the sidewall: broadband chemiluminescent emission captured via a photodetector, CH 4 concentrations determined using a distributed feedback interband cascade laser centered at 3403.4 nm, and pressure recorded via a dynamic Kistler type transducer. All methods for the ignition delay time were compared to high-speed camera images taken of the axial cross-section during combustion. Methane time-histories and the methane decay times were also measured using the laser. It was determined that the flame could be correlated to the ignition delay time measured at the side wall but that the flame as captured by the camera was not homogeneous as assumed in typical shock tube experiments. The bifurcation of the shock wave resulted in smaller flames with large boundary layers and that the flame could be as small as 30% of the cross-sectional area of the shock tube at the highest levels of CO 2 dilution. Here, comparisons between the camera images and the different ignition delay time methods show that care must be taken in interpreting traditional ignition delay data for experiments with large bifurcation effects as different methods in measuring the ignition delay time could result in different interpretations of kinetic mechanisms and impede the development of future mechanisms.

03 NATURAL GAS↗
DOE OSTI2019

CARS thermometry in laminar sooting ethylene-air co-flow diffusion flames with nitrogen dilution

Temperature measurements were performed in nonpremixed, sooting jet flames using coherent anti-Stokes Raman scattering (CARS). The jet fluid was ethylene diluted with different concentrations of nitrogen, and the co-flow fluid was dry air. The flames were stabilized on a Yale burner, also known as Smooke/Long burner, and the operating conditions were chosen to match previous experiments on the burner by the Yale group and other research groups. The selected flames have also been identified as target flames by the International Sooting Flame Workshop. CARS measurements of temperature provide insight into the structure of these sooting flames and serve as benchmark data for comparison with computations. A dual-pump vibrational CARS system was used here in order to avoid soot interferences. We were able to obtain high quality CARS spectra in all regions of the flame including the highly sooting regions and near the exit of the fuel nozzle, where the nonresonant modulation of the nitrogen CARS spectrum is strong due to the high ethylene concentrations. The measurements are compared with CFD results in literature and discussed in context of measured soot volume fraction, also, from literature.

42 ENGINEERING↗
DOE OSTI2022

Insight into ideal shear strength of Ni-based dilute alloys using first-principles calculations and correlational analysis

Here the present work examines the effect of alloying elements (denoted X) on the ideal shear strength for 26 dilute Ni-based alloys, Ni11X, as determined by first-principles calculations of pure alias shear deformations. The variations in ideal shear strength are quantitatively explored with correlational analysis techniques, showing the importance of atomic properties such as size and electronegativity. The shear moduli of the alloys are affirmed to show a strong linear relationship with their ideal shear strengths, while the shear moduli of the individual alloying elements were not indicative of alloy shear strength. Through combination with available ideal shear strength data on Mg alloys, a potential application of the Ni alloy data is demonstrated in the search for a set of atomic features suitable for machine learning applications to mechanical properties. As another illustration, the calculated Ni ideal shear strengths play a key role in a predictive multiscale framework for deformation behavior of single crystal alloys at large strains, as shown by simulated stress–strain curves.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A ruthenium oxide thermometer for dilution refrigerators operating down to 5 mK

At the lowest temperatures achieved in dilution refrigerators, ruthenium oxide resistance thermometers often saturate and therefore lose their sensitivity. In an effort to extend the range of such temperature sensors, we built a thermometer which maintains sensitivity to 5 mK. A key component of this thermometer is an in situ radio frequency filter which is based on a modern rf absorption material. Here, we show that the use of such a filter is only effective when it is encased in the same rf-tight enclosure as the ruthenium oxide sensor. Our design delivers an attenuation level that is necessary to mitigate the effects of parasitic heating of a fraction of pW present in our circuit. Furthermore, we show that the likely origin of this parasitic heating is the black body radiation present within the experimental space of the refrigerator. We found that the equilibration time of the thermometer increases rapidly as the temperature is lowered; below 5 mK this thermometer becomes impractical because of the prohibitively long equilibration times.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

The effect of lignin degradation products on the generation of pseudo-lignin during dilute acid pretreatment

Pseudo-lignin is an insoluble material that tends to deposit on acidic pretreated fiber surface and negatively impacts the biological conversion of biomass to valued added products. Employing a laboratory generated acidic hydrolysate solution from dilute acid pretreatment of bamboo residues, we sought to seek an improved understanding of pseudo-lignin formation from fragmented carbohydrates. In addition, we also performed experiments to investigate how lignin model compounds interact with carbohydrates en route to pseudo-lignin’s formation. The yields of pseudo-lignin generated from xylose (CXPL) were higher than those generated from glucose (CGPL). Gas chromatography-Mass spectrometry and Foloin-Ciocalteau analysis suggested that there were more aromatic compounds in hydrolyzate during CGPL’s formation. The presence of lignin phenolic model compounds had both a positive and negative effect upon quantitative yields of pseudo-lignin. Gel permeation chromatography and NMR analysis ( 31 P and 2D-HSQC NMR) of the pseudo-lignin samples generated in the presence and absence of 4-hydroxybenzoic acid (4-HA), employed as a lignin model compound, revealed drastic differences in molecular weight, changes in hydroxyl group content, and hydrocarbon bonds, suggesting significant differences in the pseudo-lignin reaction pathways when certain lignin model compounds are present. Finally, our findings demonstrate the effects of both hemicellulose carbohydrate makeup and lignin model compound impact on the formation of pseudo-lignin and its chemical properties, suggesting a potential way to minimize pseudo-lignin formation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Deformation Strengthening of Uranium and Dilute Uranium Alloys

The strength and ductility of uranium and dilute uranium alloys can be substantially improved by deformation strengthening. The yield strength of unalloyed uranium can be nearly doubled by rolling in the vicinity of 250°C. The embrittling effect of hydrogen is also overcome, eliminating the need for vacuum outgassing to obtain good ductility. Significant differences in longitudinal versus transverse tensile properties result, in part, from texture introduced by unidirectional rolling. Warm rolling of U-2.3%Nb results in both traditional strain hardening and a significant Bauschinger effect, resulting in differences between tensile and compressive yield strength. A similar combination of strain hardening and Bauschinger effect also occurs in deformation strengthened U-0.75%Ti. Warm rolling of U-0.75%Ti results in significantly better combinations of tensile yield strength and ductility than can be obtained by conventional age hardening. Warm rolling prior to aging also reduces the loss of ductility which typically accompanies conventional age hardening. Here, an approach is developed in which the effects of prior deformation on tensile and compressive yield strengths are analyzed in terms of texture, long-range dislocation, and Bauschinger effects. The Bauschinger effect is shown to vary in sign with the type of deformation, thus providing opportunities to tailor tensile and compressive properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Microstructural changes in NiO–ScSZ composite following reduction processes in pure and diluted hydrogen

A Ni–ScSZ cermet is widely used as the anode in a solid oxide fuel cell because it possesses the appropriate electrochemical properties. However, it is susceptible to degradation during operation. Samples of a NiO–ScSZ composite were reduced in pure and diluted hydrogen to determine the microstructural evolution and the degradation behavior of the material. The resulting changes in microstructure were investigated using scanning transmission electron microscopy, X-ray energy dispersive spectroscopy and electron energy loss spectroscopy. The resulting data revealed that the various conditions during the reduction processes had a significant effect on the microstructures. The high porosity of the reduced nickel phase and cracking between the Ni and the ZrO{sub 2} phases after reduction resulted in a reduction in the strength of the anode material. - Highlights: • Structure of NiO/Ni strongly depends on the concentration of reduction atmosphere • Scandium rich precipitations are visible in YSZ phase after reduction process • Nanopores and nanograins are formed in reduced Ni phase.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The stress, surface spin and dipolar interaction in the diluted NiFe{sub 2}O{sub 4} nanoparticles by the SiO{sub 2} matrix: Characterization and analyses

Well-dispersed uniform NiFe{sub 2}O{sub 4} nanoparticles (NPs) with an average particle size of 15.4 nm were synthesized by thermal decomposition of a metal–organic salt, and then were diluted in a SiO{sub 2} matrix via a sol–gel method with different concentration. The magnetization (M) dependence of NiFe{sub 2}O{sub 4}/SiO{sub 2} on the temperature (T) and on the applied magnetic field (H) was systematically characterized by the Quantum Design superconducting quantum interference device (SQUID) PPMS system. The results of M ~ H/T divide the magnetic properties between 10 K and 300 K into two regions: the low temperature blocked-particle regime below the blocking temperature T{sub B} and the interacting superparamagnetic (ISP) regime above T{sub B}. In the ISP regime, all samples deviate from the ideal Langevin superparamagnetic behavior due to the effective anisotropy induced by the stress, surface spins and interparticle dipolar interaction. The Raman spectra indicate that the stress in all samples exhibits the vibration behavior, which leads to the effective anisotropy and hence coercivity vibration. - Graphical abstract: Display Omitted - Highlights: • Increase of NiFe{sub 2}O{sub 4} NPs' concentration elevates T{sub B} and broadens ZFC peak. • NiFe{sub 2}O{sub 4}/SiO{sub 2} samples do not exhibit the ideal superparamagnetism above T{sub B}. • Stress leads to the effective anisotropy and hence H{sub c} vibration. • Stress vibration was characterized in detail by the Raman spectra.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Microstructures, magnetic and electric properties of diluted magnetic semiconductors InTe{sub 1−x} Fe{sub x} (Co{sub x})

Highlights: ► The prepared InTe{sub 0.9}Fe{sub 0.1} was found to be ferromagnetic at room temperature and can be characterized as diluted magnetic semiconductors. ► The presence of staking faults, various types of defects, strained lattice, grain boundaries and the impurity of minor non-magnetic phase were suggested to participate in high temperature ferromagnetism. - Abstract: InTe compound doped by 10% of Fe or Co respectively was synthesized. X-ray diffraction (XRD), transmission electron microscope (TEM), scanning electron microscope (SEM), energy dispersive X-ray (EDX), vibrating sample magnetometer (VSM) and Kiethley electrometer were used for characterizing the prepared samples. XRD show the presence of InTe{sub 0.9}Fe{sub 0.1} or InTe{sub 0.9}Co{sub 0.1} together with minor In{sub 4}Te{sub 3} phase. InTe{sub 0.9}Fe{sub 0.1} is ferromagnetic with high Curie and high blocking temperature, while InTe{sub 0.9}Co{sub 0.1} is antiferromagnetic with two high Neels temperatures. σRT of InTe{sub 0.9}Fe{sub 0.1} and InTe{sub 0.9}Co{sub 0.1} are greater than those of InTe. The higher conductivity is due to the higher carrier's density obtained from the interaction of the sp-d orbitals, of the electric and magnetic system. The presence of In{sub 4}Te{sub 3} minor phase and different kinds of defects are taking major roles in the formation of high Tc ferromagnetism and antiferromagnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Weak ferromagnetism and temperature dependent dielectric properties of Zn{sub 0.9}Ni{sub 0.1}O diluted magnetic semiconductor

Highlights: • Single phase wurtzite structure was confirmed from XRD analysis. • Weak ferromagnetic behaviour at room temperature. • Pure semiconducting properties confirmed from temperature dependent conductivity. • Smaller dielectric properties at higher frequency. • Possible potential application in high frequency spintronic devices. - Abstract: In this study the room temperature ferromagnetic behaviour and dielectric properties of ZnO based diluted magnetic semiconductor (DMS) have been investigated using nominal chemical composition Zn{sub 0.9}Ni{sub 0.1}O. The X-ray diffraction analysis confirmed formation of single phase hexagonal wurtzite structure. An increase in grain size with increasing sintering temperature was observed from scanning electron microscopy. Field dependent DC magnetization values indicated dominant paramagnetic ordering along with a slight ferromagnetic behaviour at room temperature. Frequency dependent complex initial permeability showed some positive values around 12 at room temperature. In dielectric measurement, an increasing trend of complex permittivity, loss tangent and ac conductivity with increasing temperature were observed. The temperature dependent dispersion curves of dielectric properties revealed clear relaxation at higher temperature. Frequency dependent ac conductivity was found to increase with frequency whereas complex permittivity and loss tangent showed an opposite trend.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structural, magnetic and optical properties of a dilute magnetic semiconductor based on Ce{sub 1−x}Co{sub x}O{sub 2} thin film grown on LaAlO{sub 3}

Highlights: • Co doped CeO{sub 2} was grown on LaAlO{sub 3} (0 0 1) via a modified sol–gel spin-coating technique. • The concentration of the Co ions was varied from 1 to 15 at.%. • The incorporation of 5 at.% of Mn ions was found to provide formation of exceptionally magnetic moment. • This amount demonstrated a giant magnetic moment of 1.09 μ{sub B}/Co. • This amount reduced the optical band gap and enhanced the optical performance. - Abstract: The enhancement of the room temperature ferromagnetism and optical properties of the dilute magnetic metal oxides is a crucial clue to construct spin-based optoelectronic devices. In this work, Ce{sub 1−x}Co{sub x}O{sub 2} (0.01 ≤ x ≤0.15) thin films were prepared via ethylene glycol modified sol–gel spin coating technique on the LaAlO{sub 3} (0 0 1) substrate to enhance their room temperature ferromagnetism and optical properties. The structures, magnetic and optical properties of the prepared films were characterized by X-ray diffraction, atomic force microscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy, SQUID magnetometer, X-ray photoelectron spectroscopy and UV–vis spectrophotometer. The results demonstrated that a single phase cubic structure was formed, implying the substitution of Co ions into the Ce ions sites. The prepared films showed room temperature ferromagnetism with saturation magnetic moment of 1.09 μ{sub B}/Co was achieved for 5 at.% Co-doped CeO{sub 2}. This film exhibited high optical transparency of 85% and low optical band energy gap of 3.39 eV. The improved magnetic and optical properties are argued to the increase of the density of the oxygen vacancies into the cerium oxide crystal structure due to the incorporation of Co ions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Corrosion analysis of Al-Ce-Ni and Al-Cu-Ce cast alloys in dilute boric acid at room and elevated temperatures

Two Al-Ce-Ni cast alloys, and an Al-Cu-Ce cast alloy, as candidate wet storage materials for spent nuclear fuels, were tested in 0.23 wt% H 3 BO 3 solution to assess the alloy corrosion resistance. Electrochemical and gravimetric corrosion data suggest that the three Al alloys are unlikely to undergo any severe corrosion in dilute H 3 BO 3 at or below 50 °C. Post-exposure characterization of the three Al alloys, including scanning and transmission electron microscopy and electron dispersive spectroscopy, revealed a corrosion product layer, mostly Al 2 O 3 , on the exposed surface and local penetration of oxygen into the alloy matrix. The degree of oxide layer growth and oxygen penetration is greater at 80 °C than the temperature at/below 50 °C. The Al-Cu-Ce alloy is considered less corrosion resistant than the other two alloys studied.

Al-Ce alloy↗
DOE OSTI2023

Sensitivity of UO 2 fuel performance to microstructural evolutions driven by dilute additives

Use of dilute additives to nuclear fuel is being considered to increase the security of commercial fuel management through traceability of fabricated fuel elements. Taggants, as additives are denoted when included for traceability purposes, may also improve fuel performance, as demonstrated in Cr-containing uranium dioxide as described in the literature, and they may also improve fuel safety. In fact, studies have shown that some additives affect fuel material properties such as grain size and density after sintering. Given the possible range of elements that could be used as additives, the impact of such fuel property variations on the fuel’s thermomechanical behavior becomes relevant. These effects can be evaluated through a sensitivity study of standard fuel models to analyze changes in these properties using a fuel performance code. In this work, the BISON code is being used to investigate these effects through a 2D axisymmetric model of smeared UO 2 fuel pellets and ZIRLO® cladding under realistic pressurized water reactor core irradiation conditions. Here, randomly sampled densities and grain sizes within specified ranges are used as input parameters in the simulations, and several fuel model-related outputs are evaluated. The thermomechanical response of the cladding is also addressed in this study. The simultaneous variation of both input parameters offers a more comprehensive path to identify key sensitivities. Outputs explored include temperature, fission gas release, creep, and radial stress. Results show that although most of these outputs are sensitive to grain size to a certain extent, density mainly affects fuel temperature and elastic strain. Furthermore, sensitivities can vary depending on the radial position within the fuel pellet.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Dilute Fermi gas at fourth order in effective field theory

Using effective field theory methods, we calculate for the first time the complete fourth-order term in the Fermi-momentum or k F a s expansion for the ground-state energy of a dilute Fermi gas. The convergence behavior of the expansion is examined for the case of spin one-half fermions and compared against quantum Monte-Carlo results, showing that the Fermi-momentum expansion is well-converged at this order for |k F a s | ≲ 0.5.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Detailed chemistry modeling of rotating detonations with dilute n -heptane sprays and preheated air

Utilization of liquid fuels is crucial to enabling commercialization of rotating detonation engines (RDE) in the near future. In this study, Eulerian-Lagrangian simulations are conducted for rotating detonative combustion with dilute n-heptane sprays and preheated air. Two-dimensional flattened configuration is used and a skeletal chemical mechanism with 44 species and 112 elementary reactions for n-heptane combustion is adopted. The flow structure, droplet distribution, and thermochemical parameters in the refill zone are first analyzed. It is shown that the mixture in the refill zone is heterogeneous, including evaporating droplets, vapor, and air. When the total temperature is below 950 K, the average equivalence ratio increases with the total temperature. When it is higher than 950 K, the average equivalence ratio is almost constant. Subsequently, the chemical explosive mode analysis is applied to identify the controlling reactions and dominant combustion modes in the fuel refill zone and reaction fronts. Results demonstrate that the initiation reaction (R104: n-C 7 H 16 + O 2 2-C 7 H 15 + HO 2 ) and low-temperature reaction (R107: RO 2 R'O 2 H) are dominant in the upstream and downstream of the refill zone, respectively. The intermediate species from low-temperature chemistry, R'O 2 H, is found to be important for the chemical explosive mode in the undetonated mixture. The influence of species diffusion and dispersed droplets is further analyzed. Results show that vapor autoignition facilitated by droplet evaporation occurs in the refill zone. Finally, the effects of the air total temperature on the detonation propagation speed and RDE propulsion performance are investigated. Further, it is found that the detonation propagation speed and specific impulse increase with air total temperature. The total pressure ratio first increases and then decreases as the air total temperature increases. Moreover, when the total temperature of the preheated air is above 1,300 K, the effects of low-temperature chemistry are negligible.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Vacancy surface migration mechanisms in dilute nickel-chromium alloys

We investigate the unitary mechanisms related to the surface migration of vacancies in dilute Ni-Cr alloys via first-principle calculations. We survey a complete set of surface and sub-surface migration paths for vacancies near the (100) free surface and calculate the corresponding migration barriers. Our results show that a vacancy migrating towards the free surface will face lower energy barriers to migrate via atomic exchange with a neighboring Cr atom rather than with a Ni atom. Once a vacancy reaches the free surface, it will be trapped there. Our results also reveal that, when a Cr atom sits in the atomic plane just below the free surface, any in-plane vacancy hopping jump that would result in the vacancy sitting on top a subsurface Cr atom is energetically unfavorable. Taken together, these fundamental unitary surface migration mechanisms offer insights into the complex interactions between surface segregation and vacancy migration phenomena in Ni-Cr-based alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Exploring sodium dynamics in the dilute oxygen regime of mixed oxy-sulfide NaPSiSO glasses

All-solid-state‑sodium batteries have great potential to lower the cost of grid-scale energy storage systems. However, they require a low cost, high conductivity solid electrolyte to become a reality. The electrochemical properties of mixed oxy-sulfide glasses NaPSiSO exceed those of either the pure sulfide or the pure oxide glass alone. In this work, we have tested models of sodium ion dynamics in the NaPSiSO series: zNa 2 S+(1-z)[(1-y)[(1-x)SiS 2 + xPS 5/2 ] + yNaPO 3 ] where 0.57 ≤ z ≤ 0.588, 0 ≤ x ≤ 0.35, and 0.15 ≤ y ≤ 0.35 using 23 Na nuclear magnetic resonance to directly probe the local fields and their fluctuations at the nuclear sites. We determined the distribution of activation energies in these materials arising from distributions of local environments and provided quantitative information about the connectivity of the ionic pathways through which the sodium ions move. We found that the sodium ion conduction dynamics were described as an ionic percolation through a Gaussian distribution of energy barriers and that the composition dependence of the ionic conductivity in the dilute oxygen regime is well-described by the Nernst-Einstein relation modified for percolation.

25 ENERGY STORAGE↗
DOE OSTI2023

Quantification of SARS-CoV-2 spike protein expression from mRNA vaccines using isotope dilution mass spectrometry

The advent of mRNA vaccine technology has been vital in rapidly creating and manufacturing COVID-19 vaccines at an industrial scale. To continue to accelerate this leading vaccine technology, an accurate method is needed to quantify antigens produced by the transfection of cells with a mRNA vaccine product. This will allow monitoring of protein expression during mRNA vaccine development and provide information on how changes to vaccine components affects the expression of the desired antigen. Developing novel approaches that allow for high-throughput screening of vaccines to detect changes in antigen production in cell culture prior to in vivo studies could aid vaccine development. Here, we have developed and optimized an isotope dilution mass spectrometry method to detect and quantify the spike protein expressed after transfection of baby hamster kidney cells with expired COVID-19 mRNA vaccines. Five peptides of the spike protein are simultaneously quantified and provide assurance that protein digestion in the region of the target peptides is complete since results between the five peptides had a relative standard deviation of less than 15 %. In addition, two housekeeping proteins, actin and GAPDH, are quantified in the same analytical run to account for any variation in cell growth within the experiment. IDMS allows a precise and accurate means to quantify protein expression by mammalian cells transfected with an mRNA vaccine.

60 APPLIED LIFE SCIENCES↗