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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: Beyond standard density functional theory

In this study, the structural, mechanical and thermodynamic properties of 1 : 1 layered dioctahedral kaolinite clay, with ideal Al 2 Si 2 O 5 (OH) 4 stoichiometry, were investigated using density functional theory corrected for dispersion interactions (DFT-D2). The bulk moduli of 56.2 and 56.0 GPa predicted at 298 K using the Vinet and Birch–Murnaghan equations of state, respectively, are in good agreement with the recent experimental value of 59.7 GPa reported for well-crystallized samples. The isobaric heat capacity computed for uniaxial deformation of kaolinite along the stacking direction reproduces calorimetric data within 0.7–3.0% from room temperature up to its thermal stability limit.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Structural studies of high-K{sub u} metastable CoPt thin films with long-range order

The symmetries of CoPt thin films in different phases, including disordered A1, ordered L1{sub 1}, and L1{sub 0} were examined by making measurements along the (10.1) diffraction rod. The films were deposited by sputtering on MgO(111) substrates at different temperatures (T{sub a}). The stacking sequence of close-packed atomic planes in 50 nm-thick samples with T{sub a} {>=} 200 deg. C was identified as ABCABC, indicating that the distribution of defects in the film was random, so the symmetry was preserved with increasing T{sub a}. In the RT-prepared film, a considerable amount of ({approx}62.9 vol.%) disordered CoPt with hexagonal symmetry was detected, vanishing as T{sub a} increased. Defect-induced modification of symmetry was observed in the L1{sub 1} film as its thickness was reduced to 10 nm. A pseudo-hcp component of around 7.1 vol.% was present in the film, as a result of the periodic distribution of defects. The defects in the structure may also explain the broadened magnetic alignment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Gradient cell–structured high-entropy alloy with exceptional strength and ductility

We report that similar to conventional materials, most multicomponent high-entropy alloys (HEAs) lose ductility as they gain strength. In this study, we controllably introduced gradient nanoscaled dislocation cell structures in a stable single-phase HEA with face-centered cubic structure, thus resulting in enhanced strength without apparent loss of ductility. Upon application of strain, the sample-level structural gradient induces progressive formation of a high density of tiny stacking faults (SFs) and twins, nucleating from abundant low-angle dislocation cells. Furthermore, the SF-induced plasticity and the resultant refined structures, coupled with intensively accumulated dislocations, contribute to plasticity, increased strength, and work hardening. These findings offer a promising paradigm for tailoring properties with gradient dislocation cells at the nanoscale and advance our fundamental understanding of the intrinsic deformation behavior of HEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2016

ALMA spectroscopic survey in the Hubble Ultra Deep Field: the infrared excess of UV-selected z = 2–10 galaxies as a function of UV-continuum slope and stellar mass

We make use of deep 1.2 mm continuum observations (12.7 μJy beam{sup −1} rms) of a 1 arcmin{sup 2} region in the Hubble Ultra Deep Field to probe dust-enshrouded star formation from 330 Lyman-break galaxies spanning the redshift range z = 2–10 (to ∼2–3 M {sub ⊙} yr{sup −1} at 1σ over the entire range). Given the depth and area of ASPECS, we would expect to tentatively detect 35 galaxies, extrapolating the Meurer z ∼ 0 IRX–β relation to z ≥ 2 (assuming dust temperature T {sub d} ∼ 35 K). However, only six tentative detections are found at z ≳ 2 in ASPECS, with just three at >3σ. Subdividing our z = 2–10 galaxy samples according to stellar mass, UV luminosity, and UV-continuum slope and stacking the results, we find a significant detection only in the most massive (>10{sup 9.75} M {sub ⊙}) subsample, with an infrared excess (IRX = L {sub IR}/L {sub UV}) consistent with previous z ∼ 2 results. However, the infrared excess we measure from our large selection of sub-L {sup ∗} (<10{sup 9.75} M {sub ⊙}) galaxies is 0.11{sub −0.42}{sup +0.32} ± 0.34 (bootstrap and formal uncertainties) and 0.14{sub −0.14}{sup +0.15} ± 0.18 at z = 2–3 and z = 4–10, respectively, lying below even an IRX–β relation for the Small Magellanic Cloud (95% confidence). These results demonstrate the relevance of stellar mass for predicting the IR luminosity of z ≳ 2 galaxies. We find that the evolution of the IRX–stellar mass relationship depends on the evolution of the dust temperature. If the dust temperature increases monotonically with redshift (∝(1+z){sup 0.32}) such that T {sub d} ∼ 44–50 K at z ≥ 4, current results are suggestive of little evolution in this relationship to z ∼ 6. We use these results to revisit recent estimates of the z ≥ 3 star formation rate density.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE WiggleZ DARK ENERGY SURVEY: GALAXY EVOLUTION AT 0.25 {<=} z {<=} 0.75 USING THE SECOND RED-SEQUENCE CLUSTER SURVEY

We study the evolution of galaxy populations around the spectroscopic WiggleZ sample of star-forming galaxies at 0.25 {<=} z {<=} 0.75 using the photometric catalog from the Second Red-Sequence Cluster Survey (RCS2). We probe the optical photometric properties of the net excess neighbor galaxies. The key concept is that the marker galaxies and their neighbors are located at the same redshift, providing a sample of galaxies representing a complete census of galaxies in the neighborhood of star-forming galaxies. The results are compared with those using the RCS WiggleZ Spare-Fibre (RCS-WSF) sample as markers, representing galaxies in cluster environments at 0.25 {<=} z {<=} 0.45. By analyzing the stacked color-color properties of the WiggleZ neighbor galaxies, we find that their optical colors are not a strong function of indicators of star-forming activities such as EW([O II]) or Galaxy Evolution Explorer (GALEX) near-UV luminosity of the markers. The galaxies around the WiggleZ markers exhibit a bimodal distribution on the color-magnitude diagram, with most of them located in the blue cloud. The optical galaxy luminosity functions (GLFs) of the blue neighbor galaxies have a faint-end slope {alpha} of {approx} - 1.3, similar to that for galaxies in cluster environments drawn from the RCS-WSF sample. The faint-end slope of the GLF for the red neighbors, however, is {approx} - 0.4, significantly shallower than the {approx} - 0.7 found for those in cluster environments. This suggests that the buildup of the faint end of the red sequence in cluster environments is in a significantly more advanced stage than that in the star-forming and lower galaxy density WiggleZ neighborhoods. We find that the red galaxy fraction (f{sub red}) around the star-forming WiggleZ galaxies has similar values from z {approx} 0.3 to z {approx} 0.6 with f{sub red} {approx} 0.28, but drops to f{sub red} {approx} 0.20 at z {approx}> 0.7. This change of f{sub red} with redshift suggests that there is either a higher rate of star-forming galaxies entering the luminosity-limited sample at z {approx}> 0.7, or a decrease in the quenching rate of star formation at that redshift. Comparing to that in a dense cluster environment, the f{sub red} of the WiggleZ neighbors is both considerably smaller and has a more moderate change with redshift, pointing to the stronger and more prevalent environmental influences on galaxy evolution in high-density regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Effect of top electrode material on radiation-induced degradation of ferroelectric thin film structures

The effects of gamma irradiation on the dielectric and piezoelectric responses of Pb[Zr{sub 0.52}Ti{sub 0.48}]O{sub 3} (PZT) thin film stacks were investigated for structures with conductive oxide (IrO{sub 2}) and metallic (Pt) top electrodes. The samples showed, generally, degradation of various key dielectric, ferroelectric, and electromechanical responses when exposed to 2.5 Mrad (Si) {sup 60}Co gamma radiation. However, the low-field, relative dielectric permittivity, ε{sub r}, remained largely unaffected by irradiation in samples with both types of electrodes. Samples with Pt top electrodes showed substantial degradation of the remanent polarization and overall piezoelectric response, as well as pinching of the polarization hysteresis curves and creation of multiple peaks in the permittivity-electric field curves post irradiation. The samples with oxide electrodes, however, were largely impervious to the same radiation dose, with less than 5% change in any of the functional characteristics. The results suggest a radiation-induced change in the defect population or defect energy in PZT with metallic top electrodes, which substantially affects motion of internal interfaces such as domain walls. Additionally, the differences observed for stacks with different electrode materials implicate the ferroelectric–electrode interface as either the predominant source of radiation-induced effects (Pt electrodes) or the site of healing for radiation-induced defects (IrO{sub 2} electrodes).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Quantitative description of microstructure defects in hexagonal boron nitrides using X-ray diffraction analysis

A routine for simultaneous quantification of turbostratic disorder, amount of puckering and the dislocation and stacking fault density in hexagonal materials was proposed and tested on boron nitride powder samples that were synthesised using different methods. The routine allows the individual microstructure defects to be recognised according to their effect on the anisotropy of the X-ray diffraction line broadening. For quantification of the microstructure defects, the total line broadening is regarded as a linear combination of the contributions from the particular defects. The total line broadening is obtained from the line profile fitting. As testing material, graphitic boron nitride (h-BN) was employed in the form of hot-isostatically pressed h-BN, pyrolytic h-BN or a h-BN, which was chemically vapour deposited at a low temperature. The kind of the dominant microstructure defects determined from the broadening of the X-ray diffraction lines was verified by high resolution transmission electron microscopy. Their amount was attempted to be verified by alternative methods. - Highlights: • Reliable method for quantification of microstructure defects in BN was suggested. • The method is based on the analysis of anisotropic XRD line broadening. • This XRD line broadening is unique and characteristic of the respective defect. • Thus, the quantification of coexistent microstructure defects is possible. • The method was tested on hexagonal BN, which was produced by different techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Accurate determination of production data of the non-standard positron emitter 86 Y via the 86 Sr(p,n)-reaction

In view of several significant discrepancies in the excitation function of the 86 Sr(p,n) 86g+xm Y reaction which is the method of choice for the production of the non-standard positron emitter 86 Y for theranostic application, we carried out a careful measurement of the cross sections of this reaction from its threshold up to 16.2 MeV at Forschungszentrum Jülich (FZJ) and from 14.3 to 24.5 MeV at LBNL. Thin samples of 96.4% enriched 86 SrCO 3 were prepared by sedimentation and, after irradiation with protons in a stacked-form, the induced radioactivity was measured by high-resolution γ -ray spectrometry. The projectile flux was determined by using the monitor reactions nat Cu(p,xn) 62,63,65 Zn and nat Ti(p,x) 48 V, and the calculated proton energy for each sample was verified by considering the ratios of two reaction products of different thresholds. Additionally, the experimental cross section data obtained agreed well with the results of a nuclear model calculation based on the code TALYS. From the cross section data, the integral yield of 86 Y was calculated. Over the optimum production energy range E p = 14 → 7 MeV the yield of 86 Y amounts to 291 MBq/μA for 1 h irradiation time. This value is appreciably lower than the previous literature values calculated from measured and evaluated excitation functions. It is, however, more compatible with the experimental yields of 86 Y obtained in clinical scale production runs. The levels of the isotopic impurities 87m Y, 87g Y, and 88 Y were also estimated and found to be <2% in sum.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

SDSS-IV MaNGA IFS GALAXY SURVEY—SURVEY DESIGN, EXECUTION, AND INITIAL DATA QUALITY

The MaNGA Survey (Mapping Nearby Galaxies at Apache Point Observatory) is one of three core programs in the Sloan Digital Sky Survey IV. It is obtaining integral field spectroscopy for 10,000 nearby galaxies at a spectral resolution of R ∼ 2000 from 3622 to 10354 Å. The design of the survey is driven by a set of science requirements on the precision of estimates of the following properties: star formation rate surface density, gas metallicity, stellar population age, metallicity, and abundance ratio, and their gradients; stellar and gas kinematics; and enclosed gravitational mass as a function of radius. We describe how these science requirements set the depth of the observations and dictate sample selection. The majority of targeted galaxies are selected to ensure uniform spatial coverage in units of effective radius (R{sub e}) while maximizing spatial resolution. About two-thirds of the sample is covered out to 1.5 R{sub e} (Primary sample), and one-third of the sample is covered to 2.5 R{sub e} (Secondary sample). We describe the survey execution with details that would be useful in the design of similar future surveys. We also present statistics on the achieved data quality, specifically the point-spread function, sampling uniformity, spectral resolution, sky subtraction, and flux calibration. For our Primary sample, the median r -band signal-to-noise ratio is ∼70 per 1.4 Å pixel for spectra stacked between 1 R{sub e} and 1.5 R{sub e}. Measurements of various galaxy properties from the first-year data show that we are meeting or exceeding the defined requirements for the majority of our science goals.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE SCUBA-2 COSMOLOGY LEGACY SURVEY: ALMA RESOLVES THE REST-FRAME FAR-INFRARED EMISSION OF SUB-MILLIMETER GALAXIES

We present high-resolution (0.''3) Atacama Large Millimeter Array 870 μm imaging of 52 sub-millimeter galaxies (SMGs) in the Ultra Deep Survey field to investigate the size and morphology of the sub-millimeter (sub-mm) emission on 2-10 kpc scales. We derive a median intrinsic angular size of FWHM = 0.''30 ± 0.''04 for the 23 SMGs in the sample detected at a signal-to-noise ratio (S/N) >10. Using the photometric redshifts of the SMGs we show that this corresponds to a median physical half-light diameter of 2.4 ± 0.2 kpc. A stacking analysis of the SMGs detected at S/N <10 shows they have sizes consistent with the 870 μm bright SMGs in the sample. We compare our results to the sizes of SMGs derived from other multi-wavelength studies, and show that the rest-frame ∼250 μm sizes of SMGs are consistent with studies of resolved {sup 12}CO (J = 3-2 to 7-6) emission lines, but that sizes derived from 1.4 GHz imaging appear to be approximately two times larger on average, which we attribute to cosmic ray diffusion. The rest-frame optical sizes of SMGs are around four times larger than the sub-millimeter sizes, indicating that the star formation in these galaxies is compact relative to the pre-existing stellar distribution. The size of the starburst region in SMGs is consistent with the majority of the star formation occurring in a central region, a few kiloparsecs in extent, with a median star formation rate surface density of 90 ± 30 M {sub ☉} yr{sup –1} kpc{sup –2}, which may suggest that we are witnessing an intense period of bulge growth in these galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Organic doping of rotated double layer graphene

Charge transfer techniques have been extensively used as knobs to tune electronic properties of two- dimensional systems, such as, for the modulation of conductivity \ mobility of single layer graphene and for opening the bandgap in bilayer graphene. The charge injected into the graphene layer shifts the Fermi level away from the minimum density of states point (Dirac point). In this work, we study charge transfer in rotated double-layer graphene achieved by the use of organic dopant, Tetracyanoquinodimethane. Naturally occurring bilayer graphene has a well-defined A-B stacking whereas in rotated double-layer the two graphene layers are randomly stacked with different rotational angles. This rotation is expected to significantly alter the interlayer interaction. Double-layer samples are prepared using layer-by-layer assembly of chemical vapor deposited single-layer graphene and they are identified by characteristic resonance in the Raman spectrum. The charge transfer and distribution of charges between the two graphene layers is studied using Raman spectroscopy and the results are compared with that for single-layer and A-B stacked bilayer graphene doped under identical conditions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Structure and strain relaxation effects of defects in In{sub x}Ga{sub 1–x}N epilayers

The formation of trench defects is observed in 160 nm-thick In{sub x}Ga{sub 1–x}N epilayers with x≤0.20, grown on GaN on (0001) sapphire substrates using metalorganic vapour phase epitaxy. The trench defect density increases with increasing indium content, and high resolution transmission electron microscopy shows an identical structure to those observed previously in InGaN quantum wells, comprising meandering stacking mismatch boundaries connected to an I₁-type basal plane stacking fault. These defects do not appear to relieve in-plane compressive strain. Other horizontal sub-interface defects are also observed within the GaN pseudosubstrate layer of these samples and are found to be pre-existing threading dislocations which form half-loops by bending into the basal plane, and not basal plane stacking faults, as previously reported by other groups. The origins of these defects are discussed and are likely to originate from a combination of the small in-plane misorientation of the sapphire substrate and the thermal mismatch strain between the GaN and InGaN layers grown at different temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Phase instability and defect induced evolution of optical properties in Cd rich-CdS nanoparticles

Although semiconductor nanostructures exhibit improved physical properties, their structural instability is be a problem for technological applications. This paper reports a temperature-induced low energy phase transformation that occurs in CdS nanoparticles which is ascribed to thermally generated stacking-faults. The phase transformation is found to change the nature of lattice strain in the samples. The formation of this defect-induced lattice strain and its influence on the physical properties of the samples are investigated. The modified optical absorption and emission properties of the samples are thoroughly studied. Using resonance Raman spectroscopy, the evolution of electron-phonon (e-p) coupling strength with structural changes is studied. An explanation to the contradictory nature of e-p coupling strength observed in the nano-regime is given.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Hydrothermal Preparation, Crystal Chemistry, and Redox Properties of Iron Muscovite Clay

The development of functional materials based on Earthabundant, environmentally benign compositions is critical for ensuring their commercial viability and sustainable production. In this paper we present an investigation into the crystal chemistry and electrochemical properties of the muscovite clay KFe 2.75 Si 3.25 O 10 (OH) 2 . We first report a low-temperature hydrothermal reaction that allows for a significant degree of control over sample crystallinity, particle morphology, and cation distribution through the lattice. A complex sequence of stacking faults is identified and characterized using a combination of M&ouml;ssbauer spectroscopy and total scattering neutron experiments. We then show the existence of a reversible electrochemical process using galvanostatic cycling with complementary cyclic voltammetry suggesting that the redox activity occurs primarily on the surface of the particles. We conclude by determining that the ability to (de)intercalate Li ions from the material is hindered by the strong negative charge on the transition metal silicate layers, which prevents the displacement of the interlayer K ions. This work calls attention to a hugely Earth-abundant family of minerals that possesses useful electrochemical properties that warrant further exploration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Structural anisotropic properties of a-plane GaN epilayers grown on r-plane sapphire by molecular beam epitaxy

Heteroepitaxial non-polar III-Nitride layers may exhibit extensive anisotropy in the surface morphology and the epilayer microstructure along distinct in-plane directions. The structural anisotropy, evidenced by the “M”-shape dependence of the (112{sup ¯}0) x-ray rocking curve widths on the beam azimuth angle, was studied by combining transmission electron microscopy observations, Raman spectroscopy, high resolution x-ray diffraction, and atomic force microscopy in a-plane GaN epilayers grown on r-plane sapphire substrates by plasma-assisted molecular beam epitaxy (PAMBE). The structural anisotropic behavior was attributed quantitatively to the high dislocation densities, particularly the Frank-Shockley partial dislocations that delimit the I{sub 1} intrinsic basal stacking faults, and to the concomitant plastic strain relaxation. On the other hand, isotropic samples exhibited lower dislocation densities and a biaxial residual stress state. For PAMBE growth, the anisotropy was correlated to N-rich (or Ga-poor) conditions on the surface during growth, that result in formation of asymmetric a-plane GaN grains elongated along the c-axis. Such conditions enhance the anisotropy of gallium diffusion on the surface and reduce the GaN nucleation rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Study of the perpendicular magnetic anisotropy, spin–orbit torque, and Dzyaloshinskii–Moriya interaction in the heavy metal/CoFeB bilayers with Ir 22 Mn 78 insertion

The perpendicular magnetic anisotropy (PMA), current-induced spin–orbit torques (SOTs), and Dzyaloshinskii–Moriya interaction (DMI) in the as-grown W or Ta/Ir 22 Mn 78 (IrMn)/CoFeB/MgO stacks with varying IrMn layer thicknesses were investigated. The in-plane magnetized W/CoFeB/MgO sample becomes perpendicularly magnetized after inserting the IrMn layer without the requirement of the annealing process. The effective magnetization fields 4π Meff show a nonmonotonic dependence on the IrMn layer thickness, which reaches the maximum in magnitude at a thickness of tIrMn = 0.75 nm. The SOT effective fields corresponding to damping-like and field-like torques decrease with the insertion layer thickness. Moreover, the variation of the IrMn layer thickness leads to the change of the DMI in magnitude and sign change from positive (favoring right-handed chirality) to negative (favoring left-handed chirality). The realization of changing the PMA, SOTs, and DMI by inserting the IrMn layer provides more flexibility in the design of spintronic devices.

Physics↗
DOE OSTI2011

THE OPTX PROJECT. V. IDENTIFYING DISTANT ACTIVE GALACTIC NUCLEI

The Baldwin, Phillips, and Terlevich emission-line ratio diagnostic ([O III]/H{beta} versus [N II]/H{alpha}, hereafter BPT diagram) efficiently separates galaxies whose signal is dominated by star formation (BPT-SF) from those dominated by active galactic nucleus (AGN) activity (BPT-AGN). Yet this BPT diagram is limited to z < 0.5, the redshift at which [N II]{lambda}6584 leaves the optical spectral window. Using the Sloan Digital Sky Survey (SDSS), we construct a new diagnostic, or TBT diagram, that is based on rest-frame g - z color, [Ne III]{lambda}3869, and [O II]{lambda}{lambda}3726 + 3729 and can be used for galaxies out to z < 1.4. The TBT diagram identifies 98.7% of the SDSS BPT-AGN as TBT-AGN and 97% of the SDSS BPT-SF as TBT-SF. Furthermore, it identifies 97% of the OPTX Chandra X-ray-selected AGNs as TBT-AGN. This is in contrast to the BPT diagram, which misidentifies 20% of X-ray-selected AGNs as BPT-SF. We use the Great Observatories Origins Deep Survey North and Lockman Hole galaxy samples, with their accompanying deep Chandra imaging, to perform X-ray and infrared stacking analyses to further validate our TBT-AGN and TBT-SF selections; that is, we verify the dominance of AGN activity in the former and star formation activity in the latter. Finally, we address the inclusion of the majority of the BPT-comp (sources lying between the BPT-SF and BPT-AGN regimes) in our TBT-AGN regime. We find that the stacked BPT-comp source is X-ray hard (({Gamma}{sub eff}) = 1.0{sup +0.4}{sub -0.4}) and has a high X-ray luminosity to total infrared luminosity ratio. This suggests that, on average, the X-ray signal in BPT-comp is dominated by obscured or low accretion rate AGN activity rather than by star formation, supporting their inclusion in the TBT-AGN regime.

79 ASTRONOMY AND ASTROPHYSICS↗