Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “atomic volume”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,063 records · Page 59

High purith low defect FZ silicon

The most common intrinsic defects in dislocation-free float zone (FZ) silicon crystals are the A- and B-type swirl defects. The mechanisms of their formation and annihilation have been extensively studied. Another type of defect in dislocation-free FZ crystals is referred to as a D-type defect. Concentrations of these defects can be minimized by optimizing the growth conditions, and the residual swirls can be reduced by the post-growth extrinsic gettering process. Czochralski (Cz) silicon wafers are known to exhibit higher resistance to slip and warpage due to thermal stress than do FZ wafers. The Cz crystals containing dislocations are more resistant to dislocation movement than dislocated FZ crystals because of the locking of dislocations by oxygen atoms present in the Cz crystals. Recently a transverse magnetic field was applied during the FZ growth of extrinsic silicon. Resultant flow patterns, as revealed by striation etching and spreading resistance in Ga-doped silicon crystals, indicate strong effects of the transverse magnetic field on the circulation within the melt. At fields of 5500 gauss, the fluid flow in the melt volume is so altered as to affect the morphology of the growing crystal.

Kimura, H.↗

Methods of Fabricating Scintillators with Radioisotopes for Beta Battery Applications

Technology has been developed for a class of self-contained, long-duration power sources called beta batteries, which harvest the energy contained in the radioactive emissions from beta decay isotopes. The new battery is a significant improvement over the conventional phosphor/solar cell concept for converting this energy in three ways. First, the thin phosphor is replaced with a thick scintillator that is transparent to its own emissions. By using a scintillator sufficiently thick to completely stop all the beta particles, efficiency is greatly improved. Second, since the energy of the beta particles is absorbed in the scintillator, the semiconductor photodetector is shielded from radiation damage that presently limits the performance and lifetime of traditional phosphor converters. Finally, instead of a thin film of beta-emitting material, the isotopes are incorporated into the entire volume of the thick scintillator crystal allowing more activity to be included in the converter without self-absorption. There is no chemical difference between radioactive and stable strontium beta emitters such as Sr-90, so the beta emitter can be uniformly distributed throughout a strontium based scintillator crystal. When beta emitter material is applied as a foil or thin film to the surface of a solar cell or even to the surface of a scintillator, much of the radiation escapes due to the geometry, and some is absorbed within the layer itself, leading to inefficient harvesting of the energy. In contrast, if the emitting atoms are incorporated within the scintillator, the geometry allows for the capture and efficient conversion of the energy of particles emitted in any direction. Any gamma rays associated with secondary decays or Bremsstrahlung photons may also be absorbed within the scintillator, and converted to lower energy photons, which will in turn be captured by the photocell or photodiode. Some energy will be lost in this two-stage conversion process (high-energy particle to low-energy photons to electric current). The geometric advantage partially offsets this as well, since the absorption depth of high-energy beta radiation is much larger than the depth of a p-n junction. Thus, in a p-n junction device, much of the radiation is absorbed far away from the junction, and the electron- hole pairs are not all effectively collected. In contrast, with a transparent scintillator the radiation can be converted to light in a larger volume, and all of the light can be collected in the active region of the photodiode. Finally, the new device is more practical because it can be used at much higher power levels without unduly shortening its lifetime. While the crystal structure of scintillators is also subject to radiation damage, their performance is far more tolerant of defects than that of semiconductor junctions. This allows the scintillator- based approach to use both higher energy isotopes and larger quantities of the isotopes. It is projected that this technology has the potential to produce a radioisotope battery with up to twice the efficiency of presently used systems.

Rensing, Noa M.↗

Io: Escape and ionization of atmospheric gases

The model for the Io oxygen cloud was improved and is now capable of calculating the two dimensional sky plane intensity for the 6300A, 1304A and 880A lines, where volume excitation and ionization rates are determined by impact collisions with Io plasma torus electrons. These three emission lines are those for which observations were performed by ground based, rocket, Earth orbiting satellites and Voyager spacecraft nstruments. Comparison of model results with observations at 6300A suggests an isotropic oxygen flux from Io of about (1.5 to 3.0) x 10 to the 9th power atoms cm/sec or an overall source rate of (0.6 to 1.2) x 10 to the 27th power atoms/sec. A model for the expected but yet undetected Io sulfur cloud was also developed and very preliminary results are discussed. Quantitative analysis of the Io sodium cloud focused upon the initial task of acquiring and preliminary evaluation of sodium cloud and Io plasma torus data.

Smyth, W. H.↗

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields, volume 2

A technique was developed for predicting the character and magnitude of the shock wave precursor ahead of an entry vehicle and the effect of this precursor on the vehicle flow field was ascertained. A computational method and program were developed to properly model this precursor. Expressions were developed for the mass production rates of each species due to photodissociation and photoionization reactions. Also, consideration was given to the absorption and emission of radiation and how it affects the energy in each of the energy modes of both the atomic and diatomic species. A series of parametric studies were conducted covering a range of entry conditions in order to predict the effects of the precursor on the shock layer and the radiative heat transfer to the body.

Carlson, Leland A.↗

Efficient Capacitive Deionization Using Thin Film Sodium Manganese Oxide

Capacitive deionization (CDI) is an emerging electrochemical desalination technology, which could outperform other desalination technologies if new electrode materials are developed with high electrochemical salt sorption capacities. Recent work has demonstrated improved desalination efficiency using redox-active materials in hybrid CDI (hCDI) electrodes. Here, we report new charge-storage behavior in thin-film sodium manganese oxide (NMO) which promises to enable new levels of desalination efficiency. We deposit thin-film MnO via atomic layer deposition (ALD), and electrochemically convert it to NMO in NaCl(aq). NMO coated electrodes exhibit increases in charge storage capacity up to 170 times higher than uncoated electrodes. Electrochemical quartz crystal microbalance (EQCM) measurements reveal that thin-film NMO leads to the electrochemical removal of 2.3 Na+ ions per electron. This super-stoichiometric removal of Na+ is corroborated by ab initio modeling that predicts a new electrochemical phenomenon at the NMO surface, which we term electron-decoupled ion transfer, or “EDIT.” We also describe a new custom low-volume and low-mass-loading hCDI cell which enables the study of the desalination performance of the EDIT mechanism. An hCDI cell comprised of NMO-coated carbon nanotube (CNT) cathode and Ag nanoparticle-decorated CNT anode yields a ~20-fold improvement in charge storage over bare CNT electrodes. The hCDI cell has a reversible charging efficiency (mol NaCl (mol e-)-1) of 123 ± 5% and a coulombic efficiency of 93%, corroborating our EQCM results and the EDIT mechanism. The EDIT mechanism, as well as the hCDI cell design that enabled its study, promise to hasten the development of hCDI devices with unprecendented performance

ab initio modeling↗

Tunable Atomic Layer Deposition into Ultra-High-Aspect-Ratio (>60000:1) Aerogel Monoliths Enabled by Transport Modeling

Atomic layer deposition (ALD) modification of ultra-high-aspect-ratio structures (>10,000:1) is a powerful platform with applications in catalysis, filtration, and energy conversion. However, the deposition of conformal and tunable ALD coatings at these aspect ratios remains challenging, resulting in empirical tradeoffs between precursor utilization and reaction time. Here, we demonstrate tunable control of the ALD infiltration depth into an aerogel monolith (AM) and develop a reaction-diffusion model to accurately describe the coating process. Specifically, we investigate the ALD exposure time and precursor dose needed to conformally coat a silica AM with pore sizes of ~20 nm, a monolith thickness of ~2.5 mm, and aspect ratios exceeding 60,000:1. We demonstrate complete infiltration into the AM, which is quantified by elemental mapping. A reaction-diffusion model is developed, which accounts for multiple doses and precursor depletion in the ALD chamber during an exposure step. The experimentally validated model enables the prediction and tuning of infiltration depth into a tortuous, high-aspect-ratio structure such as an AM, allowing for the synthesis of rationally designed material architectures. Additionally, the model allows for co-optimization of the total deposition time and percentage of unreacted precursor, which are important for the manufacturability and sustainability of ALD processing. Lastly, we demonstrate that ultra-thin ALD Al 2 O 3 coatings can be used to stabilize silica AMs against structural degradation under high-temperature annealing conditions (700-800 °C), by limiting changes in surface area and monolith volume. As a result, this improved high-temperature stability has implications for numerous aerogel applications, including catalysis and thermal insulation.

14 SOLAR ENERGY↗

HPHT synthesis, structure and electrical properties of type-I clathrates Ba{sub 8}Al{sub x}Si{sub 46−x}

Clathrate compounds Ba{sub 8}Al{sub x}Si{sub 46−x} were successfully synthesized using the method of high-pressure and high-temperature (HPHT). In this process, we used BaSi{sub 2} as one of the starting materials in place of Ba metals, which reduces the complexity of the program caused by the extremely high chemical reactivity. By using this method, the processing time was reduced from few days to an hour. X-ray diffraction and structural refinement indicated this composition crystallized in type-I clathrate phase. Bond length analysis showed the Ba atoms in small dodecahedron had spherical thermal ellipsoids while those in large tetrakaidecahedron displayed anisotropic thermal ellipsoids. The negative Seebeck coefficient indicated transport processes were dominated by electrons as carriers, and increased with the increasing temperature. The electrical properties, including Seebeck coefficient and Power factor, were greatly enhanced by Al substitution. - Graphical abstract: Left: The cavity structure diagram of a China-type large volume cubic high-pressure apparatus, and the Type-I clathrate structure of sample synthesized using HPHT. Middle: X-ray Rietveld refinement profile for Ba{sub 8}Si{sub 46} and element mapping for Ba{sub 8}Al{sub 16}Si{sub 30}. Right: Temperature dependence of Seebeck coefficient for Ba{sub 8}Al{sub x}Si{sub 46−x} prepared by HPHT. - Highlights: • HPHT is a simple and rapid synthetic approach. • We use BaSi{sub 2} as one of the starting materials replacing Ba metals. • The processing time reduces from few days to an hour. • Structure determination is refined by Rietveld analysis of XRD data. • Variable temperature electrical properties are characterized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stable room-temperature ferromagnetic phase at the FeRh(100) surface

Interfaces and low dimensionality are sources of strong modifications of electronic, structural, and magnetic properties of materials. FeRh alloys are an excellent example because of the first-order phase transition taking place at ~400 K from an antiferromagnetic phase at room temperature to a high temperature ferromagnetic one. It is accompanied by a resistance change and volume expansion of about 1%. We have investigated the electronic and magnetic properties of FeRh(100) epitaxially grown on MgO by combining spectroscopies characterized by different probing depths, namely X-ray magnetic circular dichroism and photoelectron spectroscopy. Furthermore, we find that the symmetry breaking induced at the Rh-terminated surface stabilizes a surface ferromagnetic layer involving five planes of Fe and Rh atoms in the nominally antiferromagnetic phase at room temperature. First-principles calculations provide a microscopic description of the structural relaxation and the electron spin-density distribution that support the experimental findings.

36 MATERIALS SCIENCE↗

Interfacial diffusion aided deformation during nanoindentation

Nanoindentation is commonly used to quantify the mechanical response of material surfaces. Despite its widespread use, a detailed understanding of the deformation mechanisms responsible for plasticity during these experiments has remained elusive. Nanoindentation measurements often show stress values close to a material’s ideal strength which suggests that dislocation nucleation and subsequent dislocation activity dominates the deformation. However, low strain-rate exponents and small activation volumes have also been reported which indicates high temperature sensitivity of the deformation processes. Using an order parameter aided temperature accelerated sampling technique called adiabatic free energy dynamics [J. B. Abrams and M. E. Tuckerman, J. Phys. Chem. B, 112, 15742 (2008)], and molecular dynamics we have probed the diffusive mode of deformation during nanoindentation. Localized processes such as surface vacancy and ad-atom pair formation, vacancy diffusion are found to play an important role during indentation. Our analysis suggests a change in the dominant deformation mode from dislocation mediated plasticity to diffusional flow at high temperatures, slow indentation rates and small indenter tip radii.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Low redshift Lyman alpha absorption lines and the dark matter halos of disk galaxies

Recent observations using the Hubble Space Telescope of the z = 0.156 QSO 3C 273 have discovered a surprisingly large number of Ly-alpha absorption lines. In particular, Morris et al. found 9 certain and 7 possible Ly-alpha lines with equivalent widths above 25 mA. This is much larger (by a factor of 5-10) than the number expected from extrapolation of the high-redshift behavior of the Ly-alpha forest. Within the context of pressure-confined models for the Ly-alpha clouds, this behavior can be understood if the ionizing background declines sharply between z is approximately 2 and z is approximately 0. However, this requires that the ionizing photon flux drop as rapidly as the QSO volume emissivity; moreover, the absorbers must have a space density n(sub O) is approximately 2.6(N/10)h/((D/100 kpc)(sup 2)) Mpc(sup -3) where D is the present-day diameter of the absorbers. It is somewhat surprising that such necessarily fragile objects could have survived in such numbers to the present day. It is shown that it is plausible that the atomic hydrogen extents of spiral and irregular galaxies are large enough to produce the observed number of Ly-alpha absorption lines toward 3C 273, and that the neutral column densities and doppler b-values expected under these conditions fall in the range found by Morris et al. (1991).

Maloney, Philip↗

Ceramic Inclusions In Powder Metallurgy Disk Alloys: Characterization and Modeling

Powder metallurgy alloys are increasingly used in gas turbine engines, especially as the material chosen for turbine disks. Although powder metallurgy materials have many advantages over conventionally cast and wrought alloys (higher strength, higher temperature capability, etc.), they suffer from the rare occurrence of ceramic defects (inclusions) that arise from the powder atomization process. These inclusions can have potentially large detrimental effect on the durability of individual components. An inclusion in a high stress location can act as a site for premature crack initiation and thereby considerably reduce the fatigue life. Because these inclusions are exceedingly rare, they usually don't reveal themselves in the process of characterizing the material for a particular application (the cumulative volume of the test bars in a fatigue life characterization is typically on the order of a single actual component). Ceramic inclusions have, however, been found to be the root cause of a number of catastrophic engine failures. To investigate the effect of these inclusions in detail, we have undertaken a study where a known population of ceramic particles, whose composition and morphology are designed to mimic the 'natural' inclusions, are added to the precursor powder. Surface connected inclusions have been found to have a particularly large detrimental effect on fatigue life, therefore the volume of ceramic 'seeds' added is calculated to ensure that a minimum number will occur on the surface of the fatigue test bars. Because the ceramic inclusions are irregularly shaped and have a tendency to break up in the process of extrusion and forging, a method of calculating the probability of occurrence and expected intercepted surface and embedded cross-sectional areas were needed. We have developed a Monte Carlo simulation to determine the distributions of these parameters and have verified the simulated results with observations of ceramic inclusions found in macro slices from extrusions and forgings. The ultimate goal of this study will be to use probabilistic methods to determine the reliability detriment that can be attributed to these ceramic inclusions.

Bonacuse, Pete↗

Coarsening Experiment Being Prepared for Flight

The Coarsening in Solid-Liquid Mixtures-2 (CSLM-2) experiment is a materials science space flight experiment whose purpose is to investigate the kinetics of competitive particle growth within a liquid matrix. During coarsening, small particles shrink by losing atoms to larger particles, causing the larger particles to grow. In this experiment, solid particles of tin will grow (coarsen) within a liquid lead-tin eutectic matrix. The preceding figures show the coarsening of tin particles in a lead-tin eutectic as a function of time. By conducting this experiment in a microgravity environment, we can study a greater range of solid volume fractions, and the effects of sedimentation present in terrestrial experiments will be negligible. The CSLM-2 experiment is slated to fly onboard the International Space Station. The experiment will be run in the Microgravity Science Glovebox installed in the U.S. Laboratory module.

Hickman, J. Mark↗

Rooting binder-free tin nanoarrays into copper substrate via tin-copper alloying for robust energy storage

The need for high-energy batteries has driven the development of binder-free electrode architectures. However, the weak bonding between the electrode particles and the current collector cannot withstand the severe volume change of active materials upon battery cycling, which largely limit the large-scale application of such electrodes. Using tin nanoarrays electrochemically deposited on copper substrate as an example, here we demonstrate a strategy of strengthening the connection between electrode and current collector by thermally alloying tin and copper at their interface. The locally formed tin-copper alloys are electron-conductive and meanwhile electrochemically inactive, working as an ideal "glue" robustly bridging tin and copper to survive harsh cycling conditions in sodium ion batteries. The working mechanism of the alloy "glue" is further characterized through a combination of electrochemical impedance spectroscopy, atomic structural analysis and in situ X-ray diffraction, presenting itself as a promising strategy for engineering binder-free electrode with endurable performance. The authors here report a binder-free electrode based on tin nanoarrays deposited on copper substrate. It is found that the locally formed electrochemically inactive tin-copper alloys work as a glue that bridges tin and copper to survive harsh cycling conditions in sodium ion batteries.

25 ENERGY STORAGE↗

Theoretical study of oxygen sorption and diffusion in the volume and on the surface of a γ-TiAl alloy

The oxygen sorption on the low-index (001), (100), and (110) surfaces of a γ-TiAl alloy is studied by the pseudopotential method with the generalized gradient approximation for the exchange-correlation functional. The most preferred sites for oxygen sorption in the bulk and on the surface of the alloy are determined. The titanium-rich octahedral site is shown to be preferred for oxygen sorption in the bulk material. The effect of the oxygen concentration on the atomic and electronic structures of the stoichiometric TiAl(100) surface is studied. It is shown that, at the first stage of oxidation, oxygen prefers to form bonds with titanium. The energy barriers for oxygen diffusion on the stoichiometric (100) surface and in the bulk of the material are calculated. The energy barriers are shown to depend substantially on the local environments of oxygen and to increase during diffusion from titanium-rich sites. The most possible mechanism of oxygen diffusion from the (100) surface to the bulk of the material is oxygen migration through tetrahedral sites.

36 MATERIALS SCIENCE↗

Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys

Model FeCrAl alloys of Fe-10%Cr-5%Al, Fe-12%Cr-4.5%Al, Fe-15%Cr-4%Al, and Fe-18%Cr-3%Al (in wt %) were irradiated with 1 MeV Kr++ ions in-situ with transmission electron microscopy to a dose of 2.5 displacements per atom (dpa) at 320 °C. In all cases, the microstructural damage consisted of dislocation loops with ½< 111 > and <100 > Burgers vectors. The proportion of ½< 111 > dislocation loops varied from ~50% in the Fe-10%Cr-5%Al model alloy and the Fe-18Cr%-3%Al model alloy to a peak of ~80% in the model Fe-15%Cr-4.5%Al alloy. The dislocation loop volume density increased with dose for all alloys and showed signs of approaching an upper limit. The total loop populations at 2.5 dpa had a slight (and possibly insignificant) decline as the chromium content was increased from 10 to 15 wt %, but the Fe-18%Cr-3%Al alloy had a dislocation loop population ~50% smaller than the other model alloys. As a result, the largest dislocation loops in each alloy had image sizes of close to 20 nm in the micrographs, and the median diameters for all alloys ranged from 6 to 8 nm. Nature analysis by the inside-outside method indicated most dislocation loops were interstitial type.

36 MATERIALS SCIENCE↗

Structural characterization of layered Na 0.5 Co 0.5 Mn 0.5 O 2 material as a promising cathode for sodium-ion batteries

Layered Na0.5Co0.5Mn0.5O2 material is synthesized through a facile mixed hydroxy-carbonate route using (Co0.5Mn0.5)2(OH)2CO3 precursor and well characterized as a hexagonal layered structure under P63/mmc space group. The lattice parameters and unit cell volume (a ¼ 2.8363 Å, c ¼ 11.3152 Å and V ¼ 78.83 Å3 ) are calculated by Rietveld refinement analysis. A flaky-bundle morphology is obtained to the layered Na0.5Co0.5Mn0.5O2 material with the hexagonal flake size ~30 nm. Advanced transmission electron microscopic images are revealed the local structure of the layered Na0.5Co0.5Mn0.5O2 material with contrasting bright dots and faint dark dots corresponding to the Co/Mn and Na atoms. Two oxidation and reduction peaks are occurred in a cyclic voltammetric analysis corresponding to Co3þ/Co4þ and Mn3þ/Mn4þ redox processes. These reversible processes are attributed to the intercalation/de-intercalation of Naþ ions into the host structure of layered Na0.5Co0.5Mn0.5O2 material. Accordingly, the sodium cell is delivered the initial charge-discharge capacity 53/144 mAh g1 at 0.5 C, which cycling studies are extended to rate capability test at 1 C, 3 C and 5C. Eventually, the Na-ion full-cell is yielded cathode charge-discharge capacity 55/52 mAh g1 at 0.212 mA and exhibited as a high voltage cathode for Na-ion batteries.

Cathode performance↗

Giant negative thermal expansion covering room temperature in nanocrystalline GaN{sub x}Mn{sub 3}

Nanocrystalline antiperovskite GaN{sub x}Mn{sub 3} powders were prepared by mechanically milling. The micrograin GaN{sub x}Mn{sub 3} exhibits an abrupt volume contraction at the antiferromagnetic (AFM) to paramagnetic (PM) (AFM-PM) transition. The temperature window of volume contraction (ΔT) is broadened to 50 K as the average grain size (〈D〉) is reduced to ∼30 nm. The corresponding coefficient of linear thermal expansion (α) reaches ∼ −70 ppm/K, which are comparable to those of giant NTE materials. Further reducing 〈D〉 to ∼10 nm, ΔT exceeds 100 K and α remains as large as −30 ppm/K (−21 ppm/K) for x = 1.0 (x = 0.9). Excess atomic displacements together with the reduced structural coherence, revealed by high-energy X-ray pair distribution functions, are suggested to delay the AFM-PM transition. By controlling 〈D〉, giant NTE may also be achievable in other materials with large lattice contraction due to electronic or magnetic phase transitions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Neutral winds in the polar thermosphere as measured from Dynamics Explorer

Possibilities for experimental investigations related to the study of the dynamics of the thermosphere have been markedly improved by the new instrumentation deployed on the Dynamics Explorer Satellite (DE). The Fabry-Perot interferometer (FPI) on DE measures altitude profiles of the meridional component of the neutral wind below the spacecraft by remotely sensing the Doppler shift of the thermospheric O(1D). The Wind and Temperature Spectrometer (WATS) measures the in situ zonal component of the neutral wind by measuring the angle of arrival of the beam of neutral atoms entering the aperture to a mass spectrometer. A description is provided of data handling procedures, and the first results obtained by combining the data sets from the two instruments are presented. Acquisition and determination of neutral wind vectors from the remote (FPI) and in-situ (WATS) measurements requires careful handling of the data to ensure that the two components relate to the same volume of space.

Killeen, T. L.↗