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At least 1,747 records · Page 97

Spectral anomalies of the effect of light-induced drift of caesium atoms caused by the velocity dependence of transport collision frequencies

The spectral features of the light-induced drift (LID) velocity of caesium atoms in inert buffer gases are studied theoretically. A strong temperature dependence of the spectral LID line shape of Cs atoms in Ar or Kr atmosphere in the vicinity of T ∼ 1000 K is predicted. It is shown that the anomalous LID of Cs atoms in binary buffer mixtures of two different inert gases can be observed at virtually any (including ambient) temperature, depending on the content of the components in these mixtures. The results obtained make it possible to precisely test the interatomic interaction potentials in the experiments on the anomalous LID. (quantum optics)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Porewater constituents inhibit microbially mediated greenhouse gas production (GHG) and regulate the response of soil organic matter decomposition to warming in anoxic peat from a Sphagnum -dominated bog

Abstract Northern peatlands store approximately one-third of terrestrial soil carbon. Climate warming is expected to stimulate the microbially mediated degradation of peat soil organic matter (SOM), leading to increasing greenhouse gas (GHG; carbon dioxide, CO2; methane, CH4) production and emission. Porewater dissolved organic matter (DOM) plays a key role in SOM decomposition; however, the mechanisms controlling SOM decomposition and its response to warming remain unclear. The temperature dependence of GHG production and microbial community dynamics were investigated in anoxic peat from a Sphagnum-dominated peatland. In this study, peat decomposition, which was quantified by GHG production and carbon substrate utilization is limited by terminal electron acceptors (TEA) and DOM, and these controls of microbially mediated SOM degradation are temperature-dependent. Elevated temperature led to a slight decrease in microbial diversity, and stimulated the growth of specific methanotrophic and syntrophic taxa. These results confirm that DOM is a major driver of decomposition in peatland soils contains inhibitory compounds, but the inhibitory effect is alleviated by warming.

Song, Tianze (ORCID:0000000282060247)↗

Insights into the Thermal Expansion of Amorphous Polymers

Here, we investigated the thermal expansion of amorphous polystyrene (PS) and poly(methyl methacrylate) (PMMA) homopolymers using the temperature dependence of spatial electron-density correlations. The strong and broad X-ray interference maxima arising from inter- and intramolecular correlation distances were distinct, maintaining their shape during the heating of the samples to 250 °C. Three maxima characteristic of electron density correlations between the backbones, substituents along the chain, and repeat-units were observed. A remarkable temperature dependence was identified in the largest correlation distances arising from the intermolecular interactions. Based on the temperature dependence of the correlation distances, the coefficients of molecular expansion were very close to the coefficients of thermal expansion. This study provides a simple yet accurate way to correlate macroscopic volume expansions with the molecular expansion obtained from wide-angle X-ray scattering (WAXS) data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anisotropic H c 2 , thermodynamic and transport measurements, and pressure dependence of T c in K 2 Cr 3 As 3 single crystals

We present a detailed study of single crystalline K 2 Cr 3 As 3 and analyze its thermodynamic and transport properties, anisotropic H c2 (T), and initial pressure dependence of T c . In zero field, the temperature-dependent resistivity is metallic. Deviation from a linear temperature dependence is evident below 100 K and a T 3 dependence is roughly followed from just above T c (~10K) to ~40K. Anisotropic H c2 (T) data were measured up to 140 kOe with field applied along and perpendicular to the rodlike crystals. For the applied field perpendicular to the rod, H c2 (T) is linear with a slope ~–70 kOe/K. For field applied along the rod, the slope is about –120 kOe/K below 70 kOe. Above 70 kOe, the magnitude of the slope decreases to ~–70 kOe/K. The electronic specific heat coefficient γ, just above T c , is 73 mJ/mol K 2 ; the Debye temperature Θ D is 220 K. As a result, the specific heat jump at the superconducting transition ΔC~2.2γT c . Finally, for hydrostatic pressures up to ~7 kbar, T c decreases under pressure linearly at a rate of –0.034K/kbar.

36 MATERIALS SCIENCE↗

Influence of Sn on the thermoelectric properties of (Bi{sub x}Sb{sub 1-x}){sub 2}Te{sub 3} single crystals

The influence of tin on the thermoelectric properties of p-(Bi{sub x}Sb{sub 1-x}){sub 2}Te{sub 3} single crystals (x=0; 0.25; 0.5) has been investigated. The temperature dependence of the Seebeck coefficient S, the electrical conductivity {sigma}, the heat conductivity k and the thermoelectric figure of merit of p-(Bi{sub x}Sb{sub 1-x}){sub 2}Te{sub 3} single crystals were measured in the temperature range 7-300 K. By an increase the Sn content, the hole concentration increases in p-(Bi{sub x}Sb{sub 1-x}){sub 2-y}Sn{sub y}Te{sub 3}. The heat conductivity k of the p-(Bi{sub x}Sb{sub 1-x}){sub 2-y}Sn{sub y}Te{sub 3} crystals decreases due to the Sn doping, while the electrical conductivity {sigma} increases in the temperature interval about 200<T<300 K and decreases at T<200 K. The Seebeck coefficient S for all compositions is positive and decreases due to the Sn doping in the whole temperature range. The scattering on the ionized impurity increases due to Sn doping. - Graphical abstract: Influence of tin on the thermoelectric properties of p-(Bi{sub x}Sb{sub 1-x}){sub 2}Te{sub 3} single crystals (x=0; 0.25; 0.5) has been investigated. Temperature dependence of Seebeck coefficient S, electrical conductivity {sigma}, thermal conductivity k and figure of merit of p-(Bi{sub x}Sb{sub 1-x}){sub 2}Te{sub 3} single crystals were measured in the temperature range 7-300 K. Electrical conductivity increases in the temperature interval 150K<T<300 K and decreases at T<150 K with Sn-doping. Concentration of holes and electrical conductivity decreases when the value of Bi content x increases in solid solution (Bi{sub x}Sb{sub 1-x}){sub 2}Te{sub 3} as shown in figure. By increasing the Sn content, the hole concentration increases in p-(Bi{sub x}Sb{sub 1-x}){sub 2-y}Sn{sub y}Te{sub 3}. The thermal conductivity k of the p-(Bi{sub x}Sb{sub 1-x}){sub 2-y}Sn{sub y}Te{sub 3} crystals decreases due to Sn doping. The Seebeck coefficient S for all compositions is positive and decreases due to Sn doping in the whole temperature range due to increase of the hole concentration under Sn doping. Highlights: Black-Right-Pointing-Pointer thermoelectric figure of merit for p-(Bi{sub x}Sb{sub 1-x}){sub 2}Te{sub 3} investigated at 7-300 K. Black-Right-Pointing-Pointer preferential scattering is ionized impurity scattering in Sn doped samples. Black-Right-Pointing-Pointer electrical conductivity increases at 150 K<T<300 K and decreases at T<150 K. Black-Right-Pointing-Pointer the hole concentration increases in p-(Bi{sub x}Sb{sub 1-x}){sub 2-y}Sn{sub y}Te{sub 3} with Sn doping. Black-Right-Pointing-Pointer the thermal conductivity of (Bi{sub x}Sb{sub 1-x}){sub 2-y}Sn{sub y}Te{sub 3} decreases due to Sn doping.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extended temperature regions of multiferroicity in nanoscale CuO

We have measured the magnetic susceptibility and heat capacity of CuO nanoparticles (16 nm) from 2 K to 400 K using a Quantum Design Physical Properties Measurement System (PPMS). The magnetization curves, acquired at various field strengths from 0 Oe to 50 kOe, are similar to literature data of bulk and nanoscale CuO showing a minimum at about 150 K, an upturn as temperature approaches 0 K, and a broad maximum at high temperatures extending beyond 400 K. The heat capacity data between 200 K and 400 K show several broad peaks. The number of these peaks and the temperatures at which they occur differ significantly from the magnetic transitions known to exist in bulk CuO. To further investigate these transitions in nanoscale CuO, we performed temperature dependent x-ray diffraction (XRD) at temperatures from 90 K to 700 K from which lattice parameters as a function of temperature were derived using a Rietveld refinement. Although no phase transitions were observed in these data, changes in the slopes of the lattice parameters are apparent at the transition temperatures observed in the heat capacity and susceptibility measurements. The various transitions in the heat capacity data are attributed to competing ferromagnetic and antiferromagnetic interactions caused by structural properties that are unique to nanophase CuO, and the temperature range of multiferroicity in nanoscale CuO is shown to extend to temperatures higher than those observed for bulk CuO. The heat capacity and temperature dependent XRD measurements are the first of their kind to be reported for CuO nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4}: Novel keesterite type solid solutions

A new family of Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} chalcogenides has been synthesized by conventional solid-state reactions at 850 Degree-Sign C. The reactions products were characterized by powder X-ray diffraction (XRD), energy-dispersive X-ray analysis (SEM-EDS), Raman spectroscopy and magnetic susceptibility. The crystal structures of two members of the solid solution series Cu{sub 2}Mn{sub 0.4}Co{sub 0.6}SnS{sub 4} and Cu{sub 2}Mn{sub 0.2}Co{sub 0.8}SnS{sub 4} have been determined by single-crystal X-ray diffraction. Both phases crystallize in the tetragonal keesterite-type structure (space group I4{sup Macron }). The distortions of the tetrahedral volume of Cu{sub 2}Mn{sub 0.4}Co{sub 0.6}SnS{sub 4} and Cu{sub 2}Mn{sub 0.2}Co{sub 0.8}SnS{sub 4} were calculated and compared with the corresponding differences in the Cu{sub 2}MnSnS{sub 4} (stannite-type) end-member. The compounds show nearly the same Raman spectral features. Temperature-dependent magnetization measurements (ZFC/FC) and high-temperature susceptibility indicate that these solid solutions are antiferromagnetic. - Graphical abstract: View along [100] of the Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} structure showing tetrahedral units and magnetic measurement ZFC-FC at 500 Oe. The insert shows the 1/{chi}-versus-temperature plot fitted by a Curie-Weiss law. Highlights: Black-Right-Pointing-Pointer Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} solid solutions belong to the family of compounds adamantine. Black-Right-Pointing-Pointer Resolved single crystals of the solid solutions have space group I4{sup Macron }. Black-Right-Pointing-Pointer The distortion of the tetrahedral volume of Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} were calculated. Black-Right-Pointing-Pointer These solid solutions are antiferromagnetic.

36 MATERIALS SCIENCE↗

Electronic chemical response indexes at finite temperature in the canonical ensemble

Assuming that the electronic energy is given by a smooth function of the number of electrons and within the extension of density functional theory to finite temperature, the first and second order chemical reactivity response functions of the Helmholtz free energy with respect to the temperature, the number of electrons, and the external potential are derived. It is found that in all cases related to the first or second derivatives with respect to the number of electrons or the external potential, there is a term given by the average of the corresponding derivative of the electronic energy of each state (ground and excited). For the second derivatives, including those related with the temperature, there is a thermal fluctuation contribution that is zero at zero temperature. Thus, all expressions reduce correctly to their corresponding chemical reactivity expressions at zero temperature and show that, at room temperature, the corrections are very small. When the assumption that the electronic energy is given by a smooth function of the number of electrons is replaced by the straight lines behavior connecting integer values, as required by the ensemble theorem, one needs to introduce directional derivatives in most cases, so that the temperature dependent expressions reduce correctly to their zero temperature counterparts. However, the main result holds, namely, at finite temperature the thermal corrections to the chemical reactivity response functions are very small. Consequently, the present work validates the usage of reactivity indexes calculated at zero temperature to infer chemical behavior at room and even higher temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Correlation of In-Field Performance of Thick REBCO Films Between 0–14 T and 4.2–77 K

We present results on correlation of in-field performance of 2G-high temperature superconductor (HTS) tapes produced by an advanced metal organic chemical vapor deposition (A-MOCVD) system which enables growth of very thick films (>4 μm) without deterioration in performance with thickness. A set of 175 samples has been measured using a vibrating sample magnetometer (VSM), at temperatures ranging from 4.2 to 77 K and field from 0 to 14 T (B⊥tape). The sample set contains a wide range of characteristics, with Zr doping from 0 to 20 mol.%, film thickness from 1 to over 4 μm and a range of compositions with varying rare earth (RE) excess, as well as varying Ba/Cu stoichiometry. The set has been purposely chosen to include a very wide range of properties, with the goal of identifying common features of REBCO conductors that are independent of the listed variables. The in-field critical current density (Jc) performance has been separated into two factors, temperature dependent self-field Jc and field and temperature dependent retention factor. The results reveal very systematic trends in maximum Jc correlation with temperature and field, which can be utilized both for long length characterization and as a tool for providing insight into pinning mechanisms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Schottky Anomalies in the Low-Temperature Specific Heat of YBa{sub 2}Cu{sub 3}O{sub y} HTSC

The evolution of the Schottky anomalies in the temperature dependence of the specific heat (in the temperature range T = 2–10 K and the magnetic field range H = 0–9 T) of polycrystalline YBa{sub 2}Cu{sub 3}O{sub y} HTSCs is studied when the oxygen content in coarse-crystalline samples changes and when the degree of structural disordering in optimally doped fine-crystalline samples of the same compound changes. The number of paramagnetic centers with uncompensated spin moments, which generate the Schottky anomalies, and the splitting of the lower energy levels are estimated. A correlation between these parameters and both the number of oxygen vacancies in chain planes and the method of oxygen ordering in chains is found. The experimental data are compared with the results of studying the magnetic susceptibility at T > T{sub c} in the same samples. Based on this comparison, we can conclude that the nature of the Schottky centers is related to the formation of paramagnetic centers at breaks in the Cu1–O4 copper–oxygen chains in the basal planes of the crystal structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of the Composition and the Crystal Structure on the Electrophysical Properties of the Ni{sub 1–x}W{sub x} System at Low Temperatures

The problem of establishing the correlation between, on the one hand, the chemical and phase compositions of Ni{sub 1–x}W{sub x} alloys (0 ≤ x ≤ 0.5) and, on the other hand, the character of the temperature dependences of the electrical resistivity, is considered. Based on the experimental ρ(T) curves, the concentration dependences of are reconstructed in the wide temperature range (50 K ≤ T ≤ 273 K). The ρ(x) curves have features related to a change in the crystal structures of the alloys (concentration fcc–bcc phase transition), their magnetic structures and percolation processes occurring in the two-phase fcc + bcc medium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

FY17 Status Report on the Micromechanical Finite Element Modeling of Creep Fracture of Grade 91 Steel

Advanced reactors designed to operate at higher temperatures than current light water reactors require structural materials with high creep strength and creep-fatigue resistance to achieve long design lives. Grade 91 is a ferritic/martensitic steel designed for long creep life at elevated temperatures. It has been selected as a candidate material for sodium fast reactor intermediate heat exchangers and other advanced reactor structural components. This report focuses on the creep deformation and rupture life of Grade 91 steel. The time required to complete an experiment limits the availability of long-life creep data for Grade 91 and other structural materials. Design methods often extrapolate the available shorter-term experimental data to longer design lives. However, extrapolation methods tacitly assume the underlying material mechanisms causing creep for long-life/low-stress conditions are the same as the mechanisms controlling creep in the short-life/high-stress experiments. A change in mechanism for long-term creep could cause design methods based on extrapolation to be non-conservative. The goal for physically-based microstructural models is to accurately predict material response in experimentally-inaccessible regions of design space. An accurate physically-based model for creep represents all the material mechanisms that contribute to creep deformation and damage and predicts the relative influence of each mechanism, which changes with loading conditions. Ideally, the individual mechanism models adhere to the material physics and not an empirical calibration to experimental data and so the model remains predictive for a wider range of loading conditions. This report describes such a physically-based microstructural model for Grade 91 at 600° C. The model explicitly represents competing dislocation and diffusional mechanisms in both the grain bulk and grain boundaries. The model accurately recovers the available experimental creep curves at higher stresses and the limited experimental data at lower stresses, predominately primary creep rates. The current model considers only one temperature. However, because the model parameters are, for the most part, directly related to the physics of fundamental material processes, the temperature dependence of the properties are known. Therefore, temperature dependence can be included in the model with limited additional effort. The model predicts a mechanism shift for 600° C at approximately 100 MPa from a dislocation- dominated regime at higher stress to a diffusion-dominated regime at lower stress. This mechanism shift impacts the creep life, notch-sensitivity, and, likely, creep ductility of Grade 91. In particular, the model predicts existing extrapolation methods for creep life may be non-conservative when attempting to extrapolate data for higher stress creep tests to low stress, long-life conditions. Furthermore, the model predicts a transition from notchstrengthening behavior at high stress to notch-weakening behavior at lower stresses. Both behaviors may affect the conservatism of existing design methods.

36 MATERIALS SCIENCE↗

Time-temperature-stress dependence of boron fiber deformation

The time-dependent deformation of boron fibers over the temperature range from -190 to 800 C is studied by flexural stress relaxation and flexural internal friction techniques on 203-micron diam specimen fibers commercially produced by chemical vapor deposition (CVD) on a 13-micron tungsten substrate. It is shown that up to at least 800 C all nonelastic behavior observed during axial deformation of CVD boron fibers can be explained solely by anelastic mechanisms and that although creep strains are small, boron fiber anelasticity can produce significant mechanical effects which would otherwise be neglected under the elastic approximation. Relations are obtained to demonstrate the considerable effects of anelasticity on such fiber/composite properties as modulus, creep, creep recovery, stress relaxation, and damping capacity. For an elastic-core/anelastic-sheath model, boron fibers on tungsten substrates are shown to have predictable fracture stresses for time-temperature conditions ranging from impact to long-time stress rupture. Possible techniques for altering these stresses are discussed.

Dicarlo, J. A.↗

Charge-carrier transport mechanisms in composites containing carbon-nanotube inclusions

From the microwave-radiation transmittance and reflectance spectra, the temperature dependence of the complex permittivity of carbon nanotubes, subjected to high-temperature annealing, and composite materials produced on their basis is determined. The electron transport mechanisms in composites with inclusions of unannealed carbon nanotubes and nanotubes subjected to high-temperature annealing are determined. The influence of the annealing temperature on the parameters that are characteristic of these mechanisms and control the temperature dependence of the conductivity of multiwall carbon nanotubes is established.

36 MATERIALS SCIENCE↗

Sensing the temperature influence on plasmonic field of metal nanoparticles by photoluminescence of fullerene C{sub 60} in layered C{sub 60}/Au system

Influence of temperature on the plasmonic field in the temperature range of 78–278 K was studied employing surface plasmon enhanced photoluminescence from the fullerene C{sub 60} thin film deposited on 2D array of Au nanoparticles. It was experimentally found that temperature dependence of plasmonic enhancement factor of C{sub 60} luminescence decreases monotonically with the temperature increase. Influence of temperature on plasmonic enhancement factor was found to be considerably stronger when the frequency of surface plasmon absorption band of Au nanoparticles and the frequency of fullerene luminescence band are in resonance. Electron-phonon scattering and thermal expansion of Au nanoparticles were considered as two competing physical mechanisms of the temperature dependence of plasmonic field magnitude. The calculations revealed significant prevalence of the electron-phonon scattering. The temperature induced increase in the scattering rate leads to higher plasmon damping that causes the decrease in the magnitude of plasmonic field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High-temperature anomalous Hall effect driven by frustrated spin fluctuations in the antiferromagnetic delafossite metal PdCrO 2

Metallic delafossite oxides are of exceptional interest due to their ultraclean metallic transport. In the case of PdCrO 2 , this arises in a triangular-lattice antiferromagnet, creating a unique opportunity to study frustrated magnetism in a very clean metal. Here, we combine a chemical vapor transport crystal growth approach with magnetic, thermodynamic, magnetotransport, and neutron scattering measurements to elucidate the striking anomalous Hall effect (AHE) in antiferromagnetic PdCrO 2 . The unconventional AHE (with anomalous Hall conductivity ~10 5 Ω −1 cm −1 ) and a large positive magnetoresistance effect (>1,000%) are shown to exhibit complex temperature dependencies, persisting to almost seven times the Néel temperature (~250 K). These effects are directly compared to elastic neutron scattering, inelastic neutron scattering, and neutron magnetic pair distribution function data, establishing unambiguous links between anomalous magnetotransport properties and directly probed short-range spin fluctuations. The latter occur over a notably broad temperature range due to geometrical magnetic frustration. Connecting to recent experimental and theoretical developments, these findings are discussed in terms of a temperature-dependent interplay between chiral spin order and chiral spin fluctuations, significantly elucidating the high-temperature anomalous magnetotransport in such compounds.

anomalous Hall effect↗

Spin dynamics, short-range order, and spin freezing in Y{sub 0.5}Ca{sub 0.5}BaCo{sub 4}O{sub 7}

Y{sub 0.5}Ca{sub 0.5}BaCo{sub 4}O{sub 7} was recently introduced as a possible candidate for capturing some of the predicted classical spin kagome ground-state features. Stimulated by this conjecture, we have taken up a more complete study of the spin correlations in this compound with neutron scattering methods on a powder sample characterized with high-resolution neutron diffraction and the temperature dependence of magnetic susceptibility and specific heat. We have found that the frustrated near-neighbor magnetic correlations involve not only the kagome planes but concern the full Co sublattice, as evidenced by the analysis of the wave-vector dependence of the short-range order. We conclude from our results that the magnetic moments are located on the Co sublattice as a whole and that correlations extend beyond the two-dimensional kagome planes. We identify intriguing dynamical properties, observing high-frequency fluctuations with a Lorentzian linewidth {Gamma}{<=}20 meV at ambient temperature. On cooling a low-frequency ({approx}1 meV) dynamical component develops alongside the high-frequency fluctuations, which eventually becomes static at temperatures below T{approx_equal}50 K. The high-frequency response with an overall linewidth of {approx}10 meV prevails at T{<=}2 K, coincident with a fully elastic short-range-ordered contribution.

36 MATERIALS SCIENCE↗