Increased time-dependent room temperature plasticity in metallic glass nanopillars and its size-dependency
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Yoo, Byung-Gil↗
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Nucleation and growth behaviors of hydriding and dehydriding reactions of Mg2Ni
Highlights: • Preparation of Mg{sub 2}Ni by sintering under Ar in a stainless steel crucible at 823 K. • Application of Johnson-Mehl equation for the nucleation and growth mechanism. • Reverse dependences on temperature of initial hydriding rate and quantity of H absorbed for 60 min. • Hydriding and dehydriding reactions progressed by a nucleation and growth mechanism. - Abstract: Mg{sub 2}Ni has drawn attention due to its high reaction rates, good reversibility, and possibility to be applied as a negative electrode in the Ni-MH (metal hydride) batteries. Mg{sub 2}Ni samples were prepared by sintering under Ar in a stainless-steel crucible at 823 K. Johnson-Mehl equation for nucleation and growth mechanism was applied to the behaviors of hydriding and dehydriding reactions of Mg{sub 2}Ni. At 571 K under 30 bar H{sub 2}, the activation of the Mg{sub 2}Ni sample was completed at the number of cycles of three (n = 3). At n = 3, hydrided fractions of the sample were 0.51 (1.92 wt% H) at 0.50 min and 0.90 (3.38 wt% H) at 2.00 min. Reverse temperature dependences of the initial hydriding rate and the quantity of hydrogen absorbed for 60 min appeared from 571 K to 620 K. Hydriding and dehydriding reactions progressed by the nucleation and growth mechanism and could be expressed by the Johnson-Mehl equation.
36 MATERIALS SCIENCE↗
Self-Assembly of a Linear Alkylamine Bilayer around a Cu Nanocrystal: Molecular Dynamics
Copper nanocrystals are often grown with the help of alkylamine capping agents, which direct the nanocrystal shape. However, the role of these molecules is still unclear. We characterized the assembly of aqueous tetradecylamine (TDA) around a Cu nanocrystal and found that TDA exhibits a temperature-dependent bilayer structure. The bilayer involves an inner layer, in which TDA binds to Cu via the amine group and tends to orient the alkyl tail perpendicular to the surface, and an outer layer whose structure depends on temperature. At low temperatures, alkylamines in the inner layer form bundles with no apparent relation to the crystal facets. Alkylamines in the outer layer tend to orient their long axes perpendicular to the Cu surfaces, with interdigitation into the inner layer. At high temperatures, alkylamines in the inner layer lose their bundle structure, and outer-layer alkylamines tend to orient themselves tangential to the Cu surfaces, forming a “web” above inner-layer TDA. TDA exhibits a rapid interlayer exchange at typical synthesis temperatures, consistent with experiment. Here, the variety in the assemblies seen here and in other studies of alkanethiols around gold nanocrystals indicates a richness in the assemblies that can be achieved by modulating the interaction between the strongly binding end group and the surface.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Superconducting phase diagram of H 3 S under high magnetic fields
The discovery of superconductivity at 260 K in hydrogen-rich compounds like LaH 10 re-invigorated the quest for room temperature superconductivity. Here, we report the temperature dependence of the upper critical fields μ 0 H c2 (T) of superconducting H 3 S under a record-high combination of applied pressures up to 160 GPa and fields up to 65 T. We find that H c2 (T) displays a linear dependence on temperature over an extended range as found in multigap or in strongly-coupled superconductors, thus deviating from conventional Werthamer, Helfand, and Hohenberg (WHH) formalism. The best fit of H c2 (T) to the WHH formalism yields negligible values for the Maki parameter α and the spin–orbit scattering constant λ SO . However, H c2 (T) is well-described by a model based on strong coupling superconductivity with a coupling constant λ ~ 2. We conclude that H 3 S behaves as a strong-coupled orbital-limited superconductor over the entire range of temperatures and fields used for our measurements.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Quasi-equilibrium predictions of water desorption kinetics from rapidly-heated metal oxide surfaces
Controlling sub-microsecond desorption of water and other impurities from electrode surfaces at high heating rates is crucial for pulsed power applications. Despite the short time scales involved, quasi-equilibrium ideas based on transition state theory (TST) and Arrhenius temperature dependence have been widely applied to fit desorption activation free energies. Here, we apply molecular dynamics (MD) simulations in conjunction with equilibrium potential-of-mean-force (PMF) techniques to directly compute the activation free energies (ΔG*) associated with desorption of intact water molecules from Fe 2 O 3 and Cr 2 O 3 (0001) surfaces. The desorption free energy profiles are diffuse, without maxima, and have substantial dependences on temperature and surface water coverage. Incorporating the predicted ΔG* into an analytical form gives rate equations that are in reasonable agreement with non-equilibrium molecular dynamics desorption simulations. We also show that different ΔG* analytical functional forms which give similar predictions at a particular heating rate can yield desorption times that differ by up to a factor of four or more when the ramp rate is extrapolated by 8 orders of magnitude. This highlights the importance of constructing a physically-motivated ΔG* functional form to predict fast desorption kinetics.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Origin of gaplike behaviors in URu 2 Si 2 : Combined study via quasiparticle scattering spectroscopy and resistivity measurements
In this work, we address two long-standing questions regarding the hidden order in URu 2 Si 2 : Is it associated with the hybridization process, and what are the distinct roles played by the localized and itinerant electrons? Our quasiparticle scattering spectroscopy reveals a hybridization gap ubiquitous in the entire phase space spanned by P and Fe substitutions in URu 2 Si 2 , including the no-order and antiferromagnetic regions, with minimal change upon crossing the phase boundary. This indicates its opening is not associated with the ordering, and thus localized electrons must be the major player. Towards a consistent understanding of all the other gaplike behaviors observed only below transition temperatures, we analyze the electrical resistivity using a model in which gapped bosonic excitations are the dominant scattering source. With their stiffness set to follow an unusual temperature dependence (decreasing with decreasing temperature), this model fits all of our resistivity data well including the jump at the transition. Remarkably, the extracted gap increases slowly with increasing Fe content, similarly to the gap detected by inelastic neutron scattering at $Q_1$ = (1.4, 0, 0), suggesting a common origin. Such a model can also naturally explain the Hall effect temperature dependence without invoking Fermi surface gapping.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Insulator-metal transitions in the T phase Cr-doped and M 1 phase undoped VO 2 thin films
${\mathrm{VO}}_{2}$ exhibits several insulating phases (monoclinic $M1,M2$, and triclinic $T)$, and the study of these phases is important for understanding the true nature of the insulator-to-metal transition (IMT) in ${\mathrm{VO}}_{2}$. These insulating phases have small but discernible crystallographic differences in the vanadium chains forming the dimers. Peculiarities of the electron localizations in the dimerized chains for many of the probes such as NMR make it difficult to characterize the true character of these phases [T. J. Huffman et al., Phys. Rev. B 95, 075125 (2017); J. Pouget et al., Phys. Rev. B 10, 1801 (1974)]. We present structural, electrical, ultrafast-reflectivity, and electronic structure studies of the $T$ phase Cr-doped ${\mathrm{VO}}_{2}$ and the $M1$ phase pure ${\mathrm{VO}}_{2}$ thin films, both grown by pulsed laser deposition under identical conditions. An intermediate $M2$ structure is observed in the Cr-doped ${\mathrm{VO}}_{2}$, while the pure ${\mathrm{VO}}_{2}$ directly goes from the insulating monoclinic $M1$ structure to a metallic rutile $R$ structure, manifested by temperature-dependent Raman spectroscopy. Temperature-dependent electronic structure studies utilizing x-ray near-edge absorption spectroscopy reveal that all these insulating phases (monoclinic $M1$ and $M2$ and triclinic $T)$ have similar electronic structures which place these insulating phases into the list of Mott-Hubbard insulators. This is a first combined experimental report on the electronic structure of all the three insulating phases, monoclinic $M1,M2$, and triclinic $T$.
36 MATERIALS SCIENCE↗
BC8 Silicon (Si-III) is a Narrow-Gap Semiconductor
Large-volume, phase-pure synthesis of BC8 silicon ($Ia\bar{3}$, cI16) has allowed bulk measurements of optical, electronic, and thermal properties. Unlike previous reports that conclude BC8-Si is semimetallic, we demonstrate that this phase is a direct band gap semiconductor with a very small energy gap and moderate carrier concentration and mobility at room temperature, based on far- and midinfrared optical spectroscopy, temperature-dependent electrical conductivity, Seebeck and heat capacity measurements. Samples exhibit a plasma wavelength near 11 μm, indicating potential for infrared plasmonic applications. Thermal conductivity is reduced by 1–2 orders of magnitude depending on temperature as compared with the diamond cubic (DC-Si) phase. The electronic structure and dielectric properties can be reproduced by first-principles calculations with hybrid functionals after adjusting the level of exact Hartree–Fock (HF) exchange mixing. These results clarify existing limited and controversial experimental data sets and ab initio calculations.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice
Not Available
Lin, Chuanlong↗
Strange metallicity in the doped Hubbard model
Strange or bad metallic transport, defined by incompatibility with the conventional quasiparticle picture, is a theme common to many strongly correlated materials, including high-temperature superconductors. The Hubbard model represents a minimal starting point for modeling strongly correlated systems. Here we demonstrate strange metallic transport in the doped two-dimensional Hubbard model using determinantal quantum Monte Carlo calculations. Over a wide range of doping, we observe resistivities exceeding the Mott-Ioffe-Regel limit with linear temperature dependence. The temperatures of our calculations extend to as low as 1/40 of the noninteracting bandwidth, placing our findings in the degenerate regime relevant to experimental observations of strange metallicity. Our results provide a foundation for connecting theories of strange metals to models of strongly correlated materials.
36 MATERIALS SCIENCE↗
Anti-Q-slope enhancement in high-frequency niobium cavities
N-doped 1.3 GHz niobium cavities showed for the first time the so-called anti-Q-slope, i.e. the increasing of the Q-factor as a function of the accelerating field. It was verified that the anti-Q-slope is consequence of the decreasing of the temperature-dependent component of the surface resistance as a function of the field. This trend is opposite compared to the increasing of the surface resistance previously observed in 1.3 GHz standard (EP, BCP, 120 C baked) niobium cavities. The effect of the different state-of-the-art surface treatments on the field dependence of the surface resistance is studied for 650 MHz, 1.3 GHz, 2.6 GHz and 3.9 Ghz cavities. This proceeding shows that the field dependence of the temperature-dependent component of the surface resistance has a strong frequency dependence and that the anti-Q-slope may appear even in clean niobium cavities if the resonant frequency is high enough, suggesting new routes toward the understanding of the anti-Q-slope effect.
43 PARTICLE ACCELERATORS↗
Plasma Focused Ion Beam Nanothermometry
In this report we detail demonstration of temperature dependent effects on grayscale intensity imaged in Focused Ion Beam (FIB) microscope, as well as secondary electron (SE) dependence on temperature in the Auger Electron Spectroscopy (AES) and a Scanning Electron Microscope (SEM). In each instrument an intrinsic silicon sample is imaged at multiple temperatures over the course of each experiment. The grayscale intensity is shown to scale with sample temperature. Sample preparation procedures are discussed, along with hypothesized explanations for unsuccessful trials. Anticipated outcomes and future directions for these measurements are also detailed.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
SSME structural computer program development. Volume 1: BOPACE theoretical manual
The BOPACE program (Boeing plastic analysis capability for engines) was developed to meet the need for an advanced thermal-elastic-plastic-creep structural analyzer by providing incremental relation between stresses and strains. The cumulative stress-strain relation, for temperature-dependent, or temperature independent elasticity is discussed along with the option for plane-stress analysis or plane-strain analysis. The BOPACE solution approach is summarized.
Vos, R. G.↗
Aerodynamic noise emission from turbulent shear layers.
The Phillips (1960) convected wave equation is employed in this paper to study aerodynamic noise emission processes in subsonic and supersonic shear layers. The wave equation in three spatial dimensions is first reduced to an ordinary differential equation by Fourier transformation and then solved via the WKBJ method. Three typical solutions are required for discussions in this paper. The current results are different from the classical conclusions. The effects of refraction, convection, Mach-number dependence and temperature dependence of turbulent noise emission are analyzed in the light of solutions to the Phillips equation.
Pao, S. P.↗
Surface tension of natural silicate melts from 1,200-1,500 C and implications for melt structure
The surface tension between silicate liquid and gas is measured for four lava compositions (limburgite to andesite) from 1,200 to 1,500 C. It is noted that the magnitude of surface tension (gamma) is in the range 350-370 dynes/cm. Variations found in gamma as a function of liquid composition are small and have no obvious relation to liquid composition. Gamma is also found to vary little with furnace atmosphere - air, Ar, CO2, H2, CO and their mixtures. It is found that a relaxation time of hours to days, depending on temperature, is required before reproducible results can be obtained from originally crystalline starting material. The reproducible temperature dependence of gamma for complex silicate liquid solution is found to be small, positive, and a relatively simple function of liquid composition.
Walker, D.↗
Simultaneous retrieval of atmospheric temperatures and ray paths from occultation spectra
Simulated equivalent width data of weak lines in solar occultation spectra were analyzed to retrieve both the solar atmospheric temperature profile and the tangent heights of the rays. It was assumed that the mixing ratio of the absorbing gas was known, but it is not necessary to know the satellite height. By analyzing lines with temperature dependent and temperature independent intensities, temperatures accurate to 1 K and tangent heights to 0.25 km were determined over the range 20 to 90 km.
Hoke, M. L.↗
A temperature correlation for the radiation resistance of a thick-walled circular duct exhausting a hot gas
It is often useful to know the radiation impedance of an unflanged but thick-walled circular duct exhausting a hot gas into relatively cold surroundings. The reactive component is shown to be insensitive to temperature, but the resistive component is shown to be temperature dependent. A temperature correlation is developed permitting prediction of the radiation resistance from a knowledge of the temperature difference between the ambient air and the gas flowing from the duct, and a physical basis for this correlation is presented.
Mahan, J. R.↗
High temperature electromagnetic characterization of thermal protection system tile materials
This study investigated the impact of elevated temperatures on the electromagnetic performance of the LI-2200 thermal protection system. A 15-kilowatt CO2 laser was used to heat an LI-2200 specimen to 3000 F while electromagnetic measurements were performed over the frequency range of l9 to 21 GHz. The electromagnetic measurement system consisted of two Dual-Lens Spot-Focusing (DLSF) antennas, a sample support structure, and an HP-8510B vector network analyzer. Calibration of the electromagnetic system was accomplished with a Transmission-Reflection-Line (TRL) procedure and was verified with measurements on a two-layer specimen of known properties. The results of testing indicated that the LI-2200 system's electromagnetic performance is slightly temperature dependent at temperatures up to 3000 F.
Heil, Garrett G.↗