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At least 1,045 records · Page 58

Spectrophotometric study of erbium (III) speciation in chloride solutions from 25 to 75 °C

In this study, UV-Vis spectrophotometric experiments were conducted from 25 to 75 °C using Er-HClO4-bearing solutions with varying NaCl concentrations. The molar absorbance coefficient of Er3+ decreases with temperature, and the absorbance intensity gradually decreases with increasing mCl/mEr ratios. The number of absorbing species include Er3+ and ErCl2+ even at the highest mCl/mEr ratio. The formation constant (β 1 ) for the ErCl 2+ species was derived and fitted between 50 and 250 °C with existing literature values, yielding the following equation: logβ 1 0 = −22.4315 + 0.0345T + 3.9379·10 3 /T, where T is temperature in Kevin.

58 GEOSCIENCES↗

Materials design, synthesis, and transport properties of disordered rare-earth Zintl bismuthides with the anti -Th 3 P 4 structure type

The synthesis, structural elucidation, and transport properties of the extended series Ca 4–x RE x Bi 3 (RE = Y, La–Nd, Sm, Gd–Tm, and Lu; x ≈ 1) and Ca 4–x RE x Bi 3–δ Sb δ (RE = La, Ho, Er, and Lu; x ≈ 1, δ ≈ 1.5) are presented. Structural elucidation is based on single-crystal X-ray diffraction data and confirms the chemical drive of Ca4Bi3 with the cubic anti-Th 3 P 4 structure type (space group I4 ¯3d, no. 220, Z = 4) into a Zintl phase by the introduction of trivalent rare-earth atoms. The structure features complex bonding, heavy elements, and electron count akin to that of valence-precise semiconductors, making it an ideal target for thermoelectrics development. Introducing crystallographic site disorders at the cation site for the Ca 4–x RE x Bi 3 phase and both the cation and anion sites for the Ca 4–x RE x Bi 3–δ Sb δ phase brings about additional desirable characteristics for thermoelectric materials in the context of tuning knobs for lowering thermal conductivity. Electronic structure calculations of idealized Ca 3 YBi 3 and Ca 3 LaBi 3 compounds indicate the opening of indirect bandgaps at the Fermi level with magnitudes Eg = 0.38 eV and 0.57 eV, respectively. The electrical resistivity ρ(T) of some of the investigated phases measured on single crystals evolve in a metallic manner with magnitudes of order 1.4 mΩ cm near 500 K, thus supporting the notion of a degenerate semiconducting state, with the temperature dependence of the Seebeck coefficient α(T) suggesting the p-type behavior. Furthermore, the low electrical resistivity and the realization of a degenerate semiconducting state in the title phases present a window of opportunity for optimizing their carrier concentrations for enhanced thermoelectric performance.

36 MATERIALS SCIENCE↗

Simultaneous enhancements of thermopower and electrical conductivity in quasi-one-dimensional α -YbAlB 4 single crystal

We report the thermoelectric properties of valence fluctuating material α-YbAlB 4 along a-, b-, and c-axes. The temperature dependence of the Seebeck coefficient for all axes shows negative peaks at around 250 K, which is close to the Kondo scale. Interestingly, the absolute value of the Seebeck coefficient along c-axis (-7 μV K -1 at 250 K) is larger than those along a- and b-axes (-50 μV K -1 at 250 K) although the electrical resistivity along c-axis is about four times lower than those along a- and b-axes. As a result, a very large thermoelectric power factor of ~14.5 mW m -1 K -2 is realized along c-axis at 200 K, which is ten times larger than those along a- and b-axes. The anisotropies in electrical resistivity and Seebeck coefficient, respectively, have different origins of Fermi surface and the c-f hybridization, realizing the simultaneous enhancements of thermopower and electrical conductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Generation of the Thermal Scattering Law of Uranium Dioxide with Ab Initio Lattice Dynamics to Capture Crystal Binding Effects on Neutron Interactions

Scattering of thermal neutrons and Doppler broadening of epithermal neutron resonances in uranium and its compounds may be sensitive to crystal binding. The thermal scattering law (TSL) for uranium dioxide, which captures crystal binding effects, has been reevaluated for ENDF/B-VIII.0. Phonon spectra were generated using ab initio lattice dynamics for the paramagnetic phase and validated against experiment. Improved agreement with the Debye-Waller coefficient as a function of temperature is found relative to the spectrum used for the ENDF/B-VII.1 evaluation. The TSL was generated using the phonon expansion method within the NJOY nuclear data processing package and was found to be in reasonable agreement with inelastic neutron scattering measurements. The present evaluation predicts a reduction in the inelastic scattering cross section relative to ENDF/B-VII.1 and a total scattering cross section consistent with neutron transmission experiments

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Magnetic, transport and thermal properties of δ-phase UZr 2

Here, polycrystals of hexagonal δ-phase UZr 2 have been synthesised and studied by means of heat capacity, magnetic susceptibility, magnetisation, electrical resistivity, magnetoresistance, thermoelectric power, thermal conductivity measurements, for the first time, at temperatures from 1.8 to 300 K and in magnetic fields up to 8 T. The weak temperature dependence of the magnetic susceptibility and the small value of both Seebeck (0.75 μV/K at room temperature) and of the Sommerfeld coefficient (13.5 mJ mol –1 K –2 ) point to 5f-electrons in this material having a delocalised nature. The electrical resistivity and magnetoresistance indicate the presence of significant electronic disorder in δ-UZr 2 , consistent with the disorder in its crystal structure. Density functional theory calculations have been performed and compared to experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CFD Simulations of Molten Salts Within Plasma-Facing Components with Twisted Tape Inserts Under One-Sided–Heated Conditions

For liquid immersion blankets (LIBs), the heat removal within different plasma-facing components (PFCs) requires substantial heat removal capabilities that could benefit from the usage of heat transfer enhancements. Of consideration are twisted tape insert heat transfer enhancements that are ribbon-like metal pieces inserted within cooling channels that increase fluid mixing, resulting in higher heat transfer and pressure drop. Unlike traditional applications, PFCs such as divertor coolant tubes experience a significantly higher heat flux on one side versus the other or entirely one-sided heating. These conditions are not well studied for molten salts where the higher Prandtl numbers characteristic of the fluids are significantly higher than water, gases, and liquid metals. As an effort to study this knowledge gap, large eddy simulations were done with Prandtl numbers representative of FLiBe at proposed operating conditions. In this study, the effects of applying a surface heat flux to one side of a tube versus the entire tube with a twisted tape insert were investigated for the heat transfer coefficient and effects on the temperature profile. The findings of the study suggest that for Prandtl number fluids above unity, the Nusselt number was largely unaffected by the change in boundary condition. Both boundary conditions showed good agreement with the Manglik and Bergles Nusselt number correlation for tight-fitting twisted tapes. Finally, the outcomes of this study will be useful for future design studies of LIBs to provide fundamental guidance implementing twisted tape inserts and their performance in one-sided–heated conditions.

molten salts↗

Role of the junction voltage on the overflow current in light-emitting diodes

Quantum-well (QW)-based light emitters, such as light-emitting diodes (LEDs) and lasers, of various semiconductor materials experience a reduction in their efficiency when operating at higher temperatures, a phenomenon referred to as “thermal droop.” Among the various claims on the origins of thermal droop, an increased overflow current with increasing temperatures is a common contender. Since overflow of carriers can only occur when the junction voltage 𝑉 Junction approaches the built-in voltage 𝑉 BI of any diodes, we develop a simple method relating the difference between 𝑉 Junction and 𝑉 BI to approximate the upper limit of overflow occurring in QW-based light-emitting diodes. The measured difference between 𝑉 Junction and 𝑉 BI of state-of-the-art commercial blue and green In⁢Ga⁢N-based LEDs at temperatures up to ∼450 K suggests negligible overflow. To further experimentally verify the absence of overflow, we perform temperature-dependent electron emission spectroscopy on the same commercial blue and green LEDs and find no evidence of thermally enhanced overflow carriers up to ∼450 K. In agreement with our claims that 𝑉 Junction must approach 𝑉 BI for overflow to occur, two-dimensional temperature-dependent electrical simulations of violet, blue, and green LEDs including alloy disorder and V-defects demonstrate that overflow can be significant in violet LEDs, where the small band offset between the In⁢Ga⁢N QW and Ga⁢N cladding layers due to the larger QW bandgap requires larger 𝑉 Junction to reach standard operating current densities, thereby approaching 𝑉 BI . By contrast, simulations indicate that overflow is negligible in blue and green LEDs, whose smaller QW bandgaps result in smaller quasi-Fermi levels difference to reach significant carrier injection, resulting in a 𝑉 Junction much smaller than 𝑉 BI up to large operating current densities. Considering that overflow is negligible in blue and longer-wavelength LEDs, and our observations of the large thermal droop occurring at low current densities, where Shockley-Read-Hall (SRH) recombination dominates, we conclude that thermally enhanced SRH processes are the most significant contributor to thermal droop. Finally, we also simulate the carrier densities in the different QWs of a multiple-QW LED and observe a reduction in the total carrier density at a given operating current density, which results in a decrease in the total Auger-Meitner current of the LED from just the thermally enhanced carrier redistribution among QWs without taking any possible additional temperature dependence of their recombination coefficients. Taking all this into account, minimizing thermal droop effects in LEDs can be achieved by a reduction in defect density, using wider band gap p-n junction-defining cladding layers, and operating at higher currents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ab initio calculations of the rate of carrier trapping and release at dopant sites in NaI: Tl beyond the harmonic approximation

We present ab initio calculations of electron capture and release coefficients as a function of temperature for Tl dopants in the widely used scintillator NaI, which is a soft ionic crystal. The modelled capture and release events occur by transitions mediated by multiple phonon absorption and emission between states with significantly different local geometries around the trapping site. We demonstrate that such transitions are not well-described by the normal harmonic approximation to the nuclear dynamics. We avoid the harmonic approximation by numerically solving the vibrational Schrödinger equation for the motion along/of a single effective phonon coordinate. The localized trapped state is not correctly described by semilocal density functionals, so we employ a hybrid functional tuned to reproduce the band gap and lattice constant of the host material. Our calculations, which combine plane-wave and cluster electronic structure methods in a novel way, are in reasonable agreement with available experimental data for detrapping and predict an unusual temperature dependence for trapping rates.

Prange, Micah P.↗

Simulation of the thermoelectric effect in a multi-metallic superconducting cavity

Superconducting radio-frequency accelerating cavities made with different material layers, such as copper, Nb or Nb₃Sn, are susceptible to thermoelectric effects due to differences in Seebeck coefficients between the metals. A temperature gradient across the surfaces can drive thermoelectric currents, which may impact the cavity performance. A layered Cu/Nb/Nb3Sn single-cell cavity was tested with cryocoolers in 2022. Three heaters were mounted on the cavity surface at different locations and three single-axis cryogenic fluxgate magnetometers were attached close to the cavity equator. A linear increase in the magnetic field was measured while increasing the heaters' power. The cavity setup was analyzed with COMSOL and the results showed a trend similar to that observed in the experiment. This contribution details the approach chosen for the simulation and some of the challenges encountered.

Accelerator Physics↗

Statistical Relations among Solid Precipitation, Atmospheric Moisture and Cloud Parameters in the Arctic

Observations collected during cold-season precipitation periods at Utquagvik, Alaska and at the multidisciplinary drifting observatory for the study of Arctic climate (MOSAiC) are used to statistically analyze the relations among the atmospheric water cycle parameters including the columnar supercooled liquid and ice amounts (expressed as liquid-water and ice-water paths, i.e., LWP and IWP), the integrated water vapor (IWV) and the near-surface snowfall rate. Data come from radar and radiometer-based retrievals and from optical precipitation sensors. While the correlation between snowfall rate and LWP is rather weak, correlation coefficients between radar-derived snowfall rate and IWP are high (~0.8), which is explained, in part, by the generally low LWP/IWP ratios during significant precipitation. Correlation coefficients between snowfall rate and IWV are moderate (~0.45). Correlations are generally weaker if snowfall is estimated by optical sensors, which is, in part, due to blowing snow. Correlation coefficients between near-surface temperature and snowfall rates are low (r < 0.3). The results from the Alaska and MOSAiC sites are generally similar. These results are not very sensitive to the amount of time averaging (e.g., 15 min averaging versus daily averages). Observationally based relations among the water cycle parameters are informative about atmospheric moisture conversion processes and can be used for model evaluations.

54 ENVIRONMENTAL SCIENCES↗

Heat transfer coefficients for liquid hydrogen turbopumps

Empirical equations were derived to establish the appropriate heat transfer coefficients as functions of the temperature drops and heat transfer rates for a wide range of convective and boiling conditions at different locations in a liquid hydrogen turbopump.

Bissel, W. R.↗

Hall effect study of electron irradiated Si(Li)

Measurement of the Hall coefficient as a function of temperature between 15 and 300 K allows the separate determination of donor and acceptor concentrations in silicon samples which were irradiated at 240 K by 1-MeV electrons and then thermally annealed at 300 K. In both lithium- and phosphorus-doped silicon irradiation increased the acceptor concentration and decreased the donor concentration due to the formation of vacancy donor pairs. Annealing did not change either concentration in phosphorus-doped silicon and caused both concentrations to decrease in silicon doped with moderate amounts of lithium. In addition to this, in both lithium- and phosphorus-doped silicon the concentration and energy level of the A center were measured at each point in the sample's history. This experiment was limited to float-zoned silicon doped with less than 6 x 10 to the 14th power donors per cu cm.

Stannard, J.↗

Experimental and theoretical aerodynamic heating and flow field analysis of a space shuttle orbiter

The results of work on the McDonnell Douglas delta wing orbiter are summarized and compared to other data and theories where applicable. The tests were conducted in the continuous hypersonic Tunnel B at Mach 8 and in the hypervelocity hotshot Tunnel F at Mach 10.5. Photographic data are used to illustrate the regions of peak heating on the lee-side and to show the vortical nature of the flow. Windward centerline data include measurements of shock angle, surface pressure, flow field pitot pressure and total temperature, and heat transfer rate coefficient distributions. Shock angles, surface pressures, and local Mach number distributions are compared with tangent cone theory over an angle of attack range from 10 to 60 deg. The measured heat transfer rate coefficient distributions are compared to both laminar and turbulent theories and boundary layer transition data are compared to the McDonnell Douglas criteria.

Matthews, R. K.↗

Analysis of heat transfer for a normally impinging liquid-metal slot jet

A two-dimensional liquid-metal slot jet that is impinging normally against a uniformly heated flat plate is analyzed. The distributions of wall temperature and heat-transfer coefficient are obtained as functions of position along the plate. The liquid-metal assumptions are made that the jet is inviscid and that molecular condition is dominating heat diffusion. The solution is obtained by mapping the jet flow region into a potential plane where it occupies a strip of uniform width. The energy equation is transformed into potential coordinates, and an exact solution obtained in the strip region. Conformal mapping is then used to transform the solution into the physical plane.

Siegel, R.↗