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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A Comparison of the Diel Cycle of Modeled and Measured Latent Heat Flux During the Warm Season in a Colorado Subalpine Forest

Abstract Precipitation changes the physiological characteristics of an ecosystem. Because land‐surface models are often used to project changes in the hydrological cycle, modeling the effect of precipitation on the latent heat flux λE is an important aspect of land‐surface models. Here we contrast conditionally sampled diel composites of the eddy‐covariance fluxes from the Niwot Ridge Subalpine Forest AmeriFlux tower with the Community Land Model (CLM, version 4.5). With respect to measured λE during the warm season: for the day following above‐average precipitation, λE was enhanced at midday by ≈40 W m −2 (relative to dry conditions), and nocturnal λE increased from ≈10 W m −2 in dry conditions to over 20 W m −2 in wet conditions. With default settings, CLM4.5 did not successfully model these changes. By increasing the amount of time that rainwater was retained by the canopy/needles, CLM was able to match the observed midday increase in λE on a dry day following a wet day. Stable nighttime conditions were problematic for CLM4.5. Nocturnal CLM λE had only a small (≈3 W m −2 ) increase during wet conditions, CLM nocturnal friction velocity u ∗ was smaller than observed u ∗ , and CLM canopy air temperature was 2°C less than those measured at the site. Using observed u ∗ as input to CLM increased λE ; however, this caused CLM λE to be increased during both wet and dry periods. We suggest that sloped topography and the ever‐present drainage flow enhanced nocturnal u ∗ and λE . Such phenomena would not be properly captured by topographically blind land‐surface models, such as CLM.

Burns, Sean P.↗
DOE OSTI2025

Updating Critical Temperature Calculations for Several Secondary High Explosives

In designing experiments where high explosives (HEs) are heated, it is important to have an understanding of where thermal runaway may occur. This determination is often done by using the Frank-Kamenetskii (FK) equation. For several highly-studied HEs, the parameters necessary for FK calculations are typically referenced from decades-old literature, and more recent experimental data have shown that these values require adjustment. For example, some of the legacy parameters dangerously overpredict the critical temperature by tens of degrees relative to more recent observed values. Herein, we first summarize historical results and highlight the importance of insulation effects when estimating critical temperatures for small samples, which is especially relevant to small-scale aging, compatibility, and characterization experiments. Here, we then present updated FK parameters for several common secondary CHNO HEs like RDX, HMX, PETN, and TATB, as well as the first reported values for 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105). Our updated parameters produce critical-temperature curves that are consistent with both mm-scale differentical scanning calorimetry (DSC) measurements and cm-scale data from the Lawrence Livermore National Laboratory one-dimensional time-to-explosion (ODTX) experiment. In analyzing the critical temperature versus sample size curves derived from the transcendental FK equation, we discovered that these curves are remarkably well described by a simple power-law function with a universal power of 0.142 and a HE-specific scaling factor.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2024

Two-loop mixed QCD-electroweak amplitudes for Z+jet production at the LHC: bosonic corrections

Abstract We present a calculation of the bosonic contribution to the two-loop mixed QCD-electroweak scattering amplitudes forZ-boson production in association with one hard jet at hadron colliders. We employ a method to calculate amplitudes in the ’t Hooft-Veltman scheme that reduces the amount of spurious non-physical information needed at intermediate stages of the computation, to keep the complexity of the calculation under control. We compute all the relevant Feynman integrals numerically using the Auxiliary Mass Flow method. We evaluate the two-loop scattering amplitudes on a two-dimensional grid in the rapidity and transverse momentum of theZboson, which has been designed to yield a reliable numerical sampling of the boosted-Zregion. This result provides an important building block for improving the theoretical modelling of a key background for monojet searches at the LHC.

Physics↗
DOE OSTI2019

Impact of reduced dimensionality on the correlation length and magnetization dynamics of the spin chain cobaltite Ca 3 Co 2 O 6

We have recently applied the magnetic field and temperature dependence of magnetic entropy change as a probe of the magnetic states of a single crystal of Ca 3 Co 2 O 6 to establish a more comprehensive magnetic phase diagram for this exotic system. The results are consistent with the spin-density wave description of the ground state and indicate the suppression of the modulated state in favor of a ferrimagnetic up-up-down arrangement of the spin chains with the application of a moderate field. We demonstrate, in this study, that the features of the static magnetic phase diagram are preserved when the grain size of Ca 3 Co 2 O 6 is reduced to 440 nm (below the maximum c-axis correlation length of ~550 nm in Ca 3 Co 2 O 6 ), although the polycrystalline materials show a non-saturating behavior, rounded steps, and reduced magnetization when compared to the single crystal. Our new finding of the multiple low-temperature magnetization steps in the 440 nm sample, together with conflicting reports concerning such steps in nanostructured samples, suggests that correlations in the ab plane are more important than correlations along the c-axis in the appearance of the plateaus. The relaxation processes in the system are studied through the decay of remanent magnetization, ac susceptibility, and Argand diagrams. The introduction of grain boundaries in Ca 3 Co 2 O 6 weakens the slow-dynamic state, widens the low-temperature distribution of relaxation times, and lowers activation energies within the Arrhenius-like relaxation regime.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Influence of the B-site ordering on the magnetic properties of the new La{sub 3}Co{sub 2}MO{sub 9} double perovskites with M = Nb or Ta

Double perovskites La{sub 3}Co{sub 2}NbO{sub 9} and La{sub 3}Co{sub 2}TaO{sub 9} have been prepared by both solid state and sol-gel synthesis. The crystal structures have been studied from X-ray and neutron powder diffraction data. Rietveld refinements show that the crystal structure is monoclinic (P2{sub 1}/n), with different degrees of ordering of B' and B'' cations, with octahedra tilted according to the Glazer notation a{sup -}b{sup -}c{sup +}. Occupancy refinements show that the solid state materials are more B-site ordered than the sol-gel ones. Magnetization measurements show that these perovskites show two magnetic contributions, one with spontaneous magnetization and other with linear behaviour with the magnetic field associated to antiferromagnetic correlations. In the samples synthesized by solid state the spontaneous magnetization is more important than those synthesized by the sol-gel and present T{sub C} of 62 K for Nb and 72 K for Ta. On the other hand, materials prepared by sol-gel have T{sub C} 20 K for Nb and 40 K for Ta, respectively and major presence of the antiferromagnetic contribution. The competition between these magnetic behaviours is interpreted, by a microscopic point of view, as to be due to the different degrees of Co{sup 2+} ions disorder on the B site of the double perovskite structure. This disorder affects the ratio between the antiferromagnetic Co{sup 2+}-O-Co{sup 2+} and the ferromagnetic Co{sup 2+}-O-M{sup 5+}-O-Co{sup 2+} couplings proposed for the system.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Structure and properties of ternary manganese nitride Mn{sub 3}CuN{sub y} thin films fabricated by facing target magnetron sputtering

Graphical abstract: This figure reveals the dependence of the texture coefficient TC{sub (111)} and TC{sub (200)} of the Mn{sub 3}CuN{sub y} thin films on T{sub sub}. These results indicate that the preferred orientation of the Mn{sub 3}CuN{sub y} thin films dramatically changed from (1 1 1) to (2 0 0) with the increase of T{sub sub}. In one word, the orientation of Mn{sub 3}CuN{sub y} thin film can be tailored by adjusting the magnetron sputtering processing parameters and substrate. It is the first time to report the deposition of Mn{sub 3}CuN{sub y} thin films on single crystal Si (1 0 0) at various substrate temperatures (T{sub sub}) by facing target magnetron sputtering. The influences of substrate temperature on crystal structure and morphology are discussed. The temperature dependences of magnetization, lattice parameters and resistivity for the resulting film are systematically investigated, which shows several different physical properties from those of previous work. Highlights: {yields} Variation of the substrate temperatures adjusted the preferred orientation from (1 1 1) to (2 0 0) of the Mn{sub 3}CuN{sub y} thin films. {yields} There exists a magnetic ordering transition at 225 K from paramagnetic (PM) to ferrimagnetic (FI), which is different than previous results. {yields} It shows a positive thermal expansion behavior with average linear thermal expansion coefficient 2.49 x 10{sup -5} K{sup -1}. However there was no crystal phase transition occurred around the magnetic transition in the film. {yields} The temperature dependence of resistivity displayed a semiconductor-like behavior, which is quite different from the bulk sample. {yields} We believe that our findings may provide an important role to further utilize the potential of antiperovskite manganese nitride film. -- Abstract: Deposition of Mn{sub 3}CuN{sub y} thin films on single crystal Si (1 0 0) at various substrate temperatures (T{sub sub}) by facing target magnetron sputtering is reported. The crystal structure and composition were characterized by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The results confirmed that the crystalline antiperovskite Mn{sub 3}CuN{sub y} thin film with (2 0 0) highly preferred texture had been obtained at T{sub sub} = 180 {sup o}C. Furthermore, for the resulting Mn{sub 3}CuN{sub y} thin film, it showed different properties compared with the bulk counterpart. There was a paramagnetic to ferrimagnetic transition at 225 K with decreasing temperature. The change of the lattice constant with temperature presented positive thermal expansion behavior and no structural transition was observed. The average linear thermal expansion coefficient ({alpha}) is 2.49 x 10{sup -5} K{sup -1} from 123 K to 298 K. More interestingly, the temperature dependence of resistivity displayed a semiconductor-like behavior, i.e. an obvious monotonous decrease of resistivity with increasing temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Microbiomes of frozen blood plasma samples reveal potential pathogens in wild birds and rodents

The lack of genomic data on pathogens from wildlife severely limits our ability to track transmission patterns and trace the origins of an outbreak. There are currently millions of wildlife samples in biobanks around the world, including blood samples. Blood has traditionally been viewed as a sterile environment in healthy individuals, but recent evidence suggests that this is not the case, especially for wild animals. Our goal was to determine whether frozen plasma samples can be surveyed using 16S sequencing to provide information about potential hosts for pathogens for a more complete understanding of disease systems. We sequenced blood plasma from wild North American deer mice ( Peromyscus maniculatus ) and American kestrels ( Falco sparverius ) that were cryogenically stored for 7 and 13 years, respectively, and compared two DNA extraction kits. The kestrel samples contained a very high number of reads that could not be identified to phylum compared to the mouse samples. The two kits differed in the phyla and genera that were detected, and the Zymo kit, which is optimized for plasma and serum, produced more high-quality reads for both kestrel and mouse samples. We identified several pathogenic genera, including Mycoplasma, Escherichia-Shigella , and Bartonella . Sequencing blood samples for pathogens could potentially have broad applications for identifying important reservoir hosts for pathogen transmission and provide a reduced set of species on which to follow up.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Chemistry of Electrolyte Reduction on Lithium Silicide

Silicon anodes are promising for next-generation lithium-ion batteries due to high theoretical capacity. However, their performance and lifetime are currently limited by continuous electrolyte reduction and solid-electrolyte interphase (SEI) formation. Thus, SEI studies are important but often complicated due to the rough morphology of samples, buried interfaces, and the presence of binders. Here, we demonstrate the chemical origin of SEI formation by electrolyte reduction on lithium silicide thin films, synthesized by diffusion of pure evaporated lithium into smooth sputtered silicon. These model samples allowed for accurate estimation of irreversible capacity loss due to electrolyte reduction and for precise characterization of the resulting SEI by vibrational and photoelectron spectroscopies. Spectroscopic characterizations showed clear evidence that lithium silicide reduced electrolyte directly upon contact. Negligible first-cycle irreversible capacity loss was observed for the lithium silicide compared to silicon, indicating that the decomposition product of electrolyte on lithium silicide is able to stop further electrolyte reduction to a large extent. Fluoro-ethylene carbonate was shown to significantly affect the chemistry of electrolyte reduction on lithium silicide and subsequent cycling performance. The results of this basic study reveal the chemistry occurring at the interface of the lithium silicide and electrolyte and help in understanding the limited calendar lifetime of Li-ion batteries with Si anodes.

25 ENERGY STORAGE↗
DOE OSTI2012

Quantum Tunneling Enabled Self-Assembly of Hydrogen Atoms on Cu(111)

Atomic and molecular self-assembly are key phenomena that underpin many important technologies. Typically, thermally enabled diffusion allows a system to sample many areas of configurational space, and ordered assemblies evolve that optimize interactions between species. Herein we describe a system in which the diffusion is quantum tunneling in nature and report the self-assembly of H atoms on a Cu(111) surface into complex arrays based on local clustering followed by larger scale islanding of these clusters. By scanning tunneling microscope tip-induced scrambling of H atom assemblies, we are able to watch the atomic scale details of H atom self-assembly in real time. The ordered arrangements we observe are complex and very different from those formed by H on other metals that occur in much simpler geometries. We contrast the diffusion and assembly of H with D, which has a much slower tunneling rate and is not able to form the large islands observed with H over equivalent time scales. Using density functional theory, we examine the interaction of H atoms on Cu(111) by calculating the differential binding energy as a function of H coverage. At the temperature of the experiments (5 K), H(D) diffusion by quantum tunneling dominates. The quantum-tunneling-enabled H and D diffusion is studied using a semiclassically corrected transition state theory coupled with density functional theory. This system constitutes the first example of quantum-tunneling-enabled self-assembly, while simultaneously demonstrating the complex ordering of H on Cu(111), a catalytically relevant surface.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2025

Superheating gold beyond the predicted entropy catastrophe threshold

In their landmark study, Fecht and Johnson unveiled a phenomenon that they termed the ‘entropy catastrophe’, a critical point where the entropy of superheated crystals equates to that of their liquid counterparts. This point marks the uppermost stability boundary for solids at temperatures typically around three times their melting point. Despite the theoretical prediction of this ultimate stability threshold, its practical exploration has been prevented by numerous intermediate destabilizing events, colloquially known as a hierarchy of catastrophes, which occur at far lower temperatures. Here we experimentally test this limit under ultrafast heating conditions, directly tracking the lattice temperature by using high-resolution inelastic X-ray scattering. Our gold samples are heated to temperatures over 14 times their melting point while retaining their crystalline structure, far surpassing the predicted threshold and suggesting a substantially higher or potentially no limit for superheating. We point to the inability of our samples to expand on these very short timescales as an important difference from previous estimates. These observations provide insights into the dynamics of melting under extreme conditions.

Laser-produced plasmas↗
DOE OSTI2014

High-κ Al{sub 2}O{sub 3} material in low temperature wafer-level bonding for 3D integration application

This work systematically investigated a high-κ Al{sub 2}O{sub 3} material for low temperature wafer-level bonding for potential applications in 3D microsystems. A clean Si wafer with an Al{sub 2}O{sub 3} layer thickness of 50 nm was applied as our experimental approach. Bonding was initiated in a clean room ambient after surface activation, followed by annealing under inert ambient conditions at 300 °C for 3 h. The investigation consisted of three parts: a mechanical support study using the four-point bending method, hermeticity measurements using the helium bomb test, and thermal conductivity analysis for potential heterogeneous bonding. Compared with samples bonded using a conventional oxide bonding material (SiO{sub 2}), a higher interfacial adhesion energy (∼11.93 J/m{sup 2}) and a lower helium leak rate (∼6.84 × 10{sup −10} atm.cm{sup 3}/sec) were detected for samples bonded using Al{sub 2}O{sub 3}. More importantly, due to the excellent thermal conductivity performance of Al{sub 2}O{sub 3}, this technology can be used in heterogeneous direct bonding, which has potential applications for enhancing the performance of Si photonic integrated devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Dual anisotropic character in Fe/Pt multilayer grown on (001) MgO substrate

The multilayers of [Fe(5Å)/Pt(25 Å)]{sub ×15} were prepared by dc magnetron sputtering on 50 Å Pt-buffered MgO substrates. The structural characterization of the multilayers was carried out using X-ray diffraction, X-ray reflectivity. The Secondary ion mass spectroscopy measurement reveals the depth profile and compositional modulations of the multilayer films as per our design specifications. Room temperature magnetic measurements were carried out by using SQUID both in-plane and out-of-plane sample geometry. Magnetization measurements show similar M-H loops for both in-plane and out-of-plane directions of external magnetic field with a coercivity of 190 Oe. These measurements indicate that our samples are magnetically soft and have multifunctional character which is important for making magnetic tunnel junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Comparative study of microfacies variation in two samples from the Chittenango member, Marcellus shale subgroup, western New York state, USA

This study demonstrates the significant lithologic variations that occur within the two shale samples from the Chittenango member of the Marcellus shale formation from western New York State in terms of mineralogical composition, type of lamination, pyrite occurrences and fossil content using thin section detailed description and field emission Scanning electron microscope (FESEM) with energy dispersive X-Ray Spectrum (EDX). This study is classified samples as laminated clayshale and fossiliferous carbonaceous shale. The most important detrital constituents of these shales are the clay mineral illite and chlorite, quartz, organic matter, carbonate mineral, and pyrite. The laminated clayshale has a lower amount of quartz and carbonate minerals than fossiliferous carbonaceous shale while it has a higher amount of clay minerals (chlorite and illite) and organic matter. FESEM analysis confirms the presence of chlorite and illite. The fossil content in the laminated clayshale is much lower than the fossiliferous carbonaceous shale. This can provide greater insights about variations in the depositional and environmental factors that influenced its deposition. This result can be compiled with the sufficient data to be helpful for designing the horizontal wells and placement of hydraulic fracturing in shale gas exploration and production.

58 GEOSCIENCES↗
DOE OSTI2019

Periodic Surface Morphology Characteristics of Tungsten Under Simultaneous Helium and Deuterium Bombardment at 30 keV

The ITER divertor will feature tungsten monoblocks as the plasma-facing component (PFC) that will be subject to extreme temperature and radiation environments. This paper reports the development of surface morphologies on tungsten under helium bombardment at high temperatures, which has important implications for safety, retention, and PFC erosion. Polycrystalline tungsten samples were implanted in the Dual Advanced Ion Simultaneous Implantation Experiment dual-beam ion implantation experiment at the University of Wisconsin-Madison with He-only and simultaneous He-D implantation at incidence angles of 55 deg, ion energies of 30 keV, and surface temperatures of 900°C to 1100°C. Morphologies resulting from angled incidence conditions differed from those produced under normal incidence bombardment at similar energy and temperature conditions in previous work. A variety of ordered and disordered morphologies dependent on grain orientation were observed for fluences up to 6 × 10 18 He cm –2 . These morphologies displayed dependencies on crystal orientation at low fluences and incident beam directions at higher fluences. Furthermore, these structures appeared, with variation, under both single-species He and mixed He-D implantations.

36 MATERIALS SCIENCE↗
DOE OSTI2011

EVIDENCE FOR INFLOW IN HIGH-MASS STAR-FORMING CLUMPS

We analyze the HCO{sup +} 3-2 and H{sup 13}CO{sup +} 3-2 line profiles of 27 high-mass star-forming regions to identify asymmetries that are suggestive of mass inflow. Three quantitative measures of line asymmetry are used to indicate whether a line profile is blue, red, or neither-the ratio of the temperature of the blue and red peaks, the line skew, and the dimensionless parameter {delta}v. We find nine HCO{sup +} 3-2 line profiles with a significant blue asymmetry and four with significant red asymmetric profiles. Comparing our HCO{sup +} 3-2 results to HCN 3-2 observations from Wu et al., we find that eight of the blue and three of the red have profiles with the same asymmetry in HCN. The eight sources with blue asymmetries in both tracers are considered strong candidates for inflow. Quantitative measures of the asymmetry (e.g., {delta}v) tend to be larger for HCN. This, combined with possible HCO{sup +} abundance enhancements in outflows, suggests that HCN may be a better tracer of inflow. Understanding the behavior of common molecular tracers like HCO{sup +} in clumps of different masses is important for properly analyzing the line profiles seen in a sample of sources representing a broad range of clump masses. Such studies will soon be possible with the large number of sources with possible self-absorption seen in spectroscopic follow-up observations of clumps identified in the Bolocam Galactic Plane Survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

The SINS/zC-SINF survey of z ∼ 2 galaxy kinematics: Evidence for powerful active galactic nucleus-driven nuclear outflows in massive star-forming galaxies

We report the detection of ubiquitous powerful nuclear outflows in massive (≥10{sup 11} M {sub ☉}) z ∼ 2 star-forming galaxies (SFGs), which are plausibly driven by an active galactic nucleus (AGN). The sample consists of the eight most massive SFGs from our SINS/zC-SINF survey of galaxy kinematics with the imaging spectrometer SINFONI, six of which have sensitive high-resolution adaptive optics-assisted observations. All of the objects are disks hosting a significant stellar bulge. The spectra in their central regions exhibit a broad component in Hα and forbidden [N II] and [S II] line emission, with typical velocity FWHM ∼ 1500 km s{sup –1}, [N II]/Hα ratio ≈ 0.6, and intrinsic extent of 2-3 kpc. These properties are consistent with warm ionized gas outflows associated with Type 2 AGN, the presence of which is confirmed via independent diagnostics in half the galaxies. The data imply a median ionized gas mass outflow rate of ∼60 M {sub ☉} yr{sup –1} and mass loading of ∼3. At larger radii, a weaker broad component is detected but with lower FWHM ∼485 km s{sup –1} and [N II]/Hα ≈ 0.35, characteristic for star formation-driven outflows as found in the lower-mass SINS/zC-SINF galaxies. The high inferred mass outflow rates and frequent occurrence suggest that the nuclear outflows efficiently expel gas out of the centers of the galaxies with high duty cycles and may thus contribute to the process of star formation quenching in massive galaxies. Larger samples at high masses will be crucial in confirming the importance and energetics of the nuclear outflow phenomenon and its connection to AGN activity and bulge growth.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Measurements of sputtered neutrals and ions and investigation of their roles on the plasma properties during rf magnetron sputtering of Zn and ZnO targets

Langmuir probe and optical absorption spectroscopy measurements were used to determine the line-integrated electron density, electron temperature, and number density of Ar atoms in metastable {sup 3}P{sub 2} and {sup 3}P{sub 0} levels in a 5 mTorr, rf magnetron sputtering plasmas used for the deposition of ZnO-based thin films. While the average electron energy and density of Ar atoms in {sup 3}P{sub 2} and {sup 3}P{sub 0} excited states were fairly independent of self-bias voltage, the Ar {sup 3}P{sub 2}-to-electron number density ratio decreased by approximately a factor of 5 when going from −115 V to −300 V. This decrease was correlated to an increase by about one order of magnitude of the number density of sputtered Zn atoms determined by absolute actinometry measurements on Zn I using either Ar or Xe as the actinometer gas. These results were also found to be in excellent agreement with the predictions of a global model accounting for Penning ionization of sputtered Zn particles. The importance of the latter reactions was further confirmed by plasma sampling mass spectrometry showing a double peak structure for Zn ions: a low-energy component ascribed to thermalized ions created in the gas phase (by direct electron impact and by Penning ionization) and a high-energy tail due to ions ejected from the target and reaching quasi-collisionlessly the substrate surface.

36 MATERIALS SCIENCE↗