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  • MDPI  (56,387)
  • MDPI Publishing  (52,519)
  • American Institute of Physics (AIP)
  • 2015-2019  (135,016)
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  • 11
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    Enhanced thermoelectric properties of phase-separating bismuth selenium telluride thin films via a two-step method (2015)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2015-08-11
    Description: A two-step method that combines homogeneous electron beam (EB) irradiation and thermal annealing has been developed to enhance the thermoelectric properties of nanocrystalline bismuth selenium telluride thin films. The thin films, prepared using a flash evaporation method, were treated with EB irradiation in a N 2 atmosphere at room temperature and an acceleration voltage of 0.17 MeV. Thermal annealing was performed under Ar/H 2 (5%) at 300 °C for 60 min. X-ray diffraction was used to determine that compositional phase separation between bismuth telluride and bismuth selenium telluride developed in the thin films exposed to higher EB doses and thermal annealing. We propose that the phase separation was induced by fluctuations in the distribution of selenium atoms after EB irradiation, followed by the migration of selenium atoms to more stable sites during thermal annealing. As a result, thin film crystallinity improved and mobility was significantly enhanced. This indicates that the phase separation resulting from the two-step method enhanced, rather than disturbed, the electron transport. Both the electrical conductivity and the Seebeck coefficient were improved following the two-step method. Consequently, the power factor of thin films that underwent the two-step method was enhanced to 20 times (from 0.96 to 21.0  μ W/(cm K 2 ) that of the thin films treated with EB irradiation alone.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 12
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    Acoustic travel time gauges for in-situ determination of pressure and temperature in multi-anvil apparatus (2015)
    American Institute of Physics (AIP)
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    Publication Date: 2015-08-11
    Description: In this study, we developed a new method for in-situ pressure determination in multi-anvil, high-pressure apparatus using an acoustic travel time approach within the framework of acoustoelasticity. The ultrasonic travel times of polycrystalline Al 2 O 3 were calibrated against NaCl pressure scale up to 15 GPa and 900 °C in a Kawai-type double-stage multi-anvil apparatus in conjunction with synchrotron X-radiation, thereby providing a convenient and reliable gauge for pressure determination at ambient and high temperatures. The pressures derived from this new travel time method are in excellent agreement with those from the fixed-point methods. Application of this new pressure gauge in an offline experiment revealed a remarkable agreement of the densities of coesite with those from the previous single crystal compression studies under hydrostatic conditions, thus providing strong validation for the current travel time pressure scale. The travel time approach not only can be used for continuous in-situ pressure determination at room temperature, high temperatures, during compression and decompression, but also bears a unique capability that none of the previous scales can deliver, i.e., simultaneous pressure and temperature determination with a high accuracy (±0.16 GPa in pressure and ±17 °C in temperature). Therefore, the new in-situ Al 2 O 3 pressure gauge is expected to enable new and expanded opportunities for offline laboratory studies of solid and liquid materials under high pressure and high temperature in multi-anvil apparatus.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 13
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    A method for measuring the Néel relaxation time in a frozen ferrofluid (2015)
    American Institute of Physics (AIP)
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    Publication Date: 2015-08-11
    Description: We report a novel method of determining the average Néel relaxation time and its temperature dependence by calculating derivatives of the measured time dependence of temperature for a frozen ferrofluid exposed to an alternating magnetic field. The ferrofluid, composed of dextran-coated Fe 3 O 4 nanoparticles (diameter 13.7 nm ± 4.7 nm), was synthesized via wet chemical precipitation and characterized by x-ray diffraction and transmission electron microscopy. An alternating magnetic field of constant amplitude ( H 0 = 20 kA/m) driven at frequencies of 171 kHz, 232 kHz, and 343 kHz was used to determine the temperature dependent magnetic energy absorption rate in the temperature range from 160 K to 210 K. We found that the specific absorption rate of the ferrofluid decreased monotonically with temperature over this range at the given frequencies. From these measured data, we determined the temperature dependence of the Néel relaxation time and estimate a room-temperature magnetocrystalline anisotropy constant of 40 kJ/m 3 , in agreement with previously published results.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 14
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    From molecular systems to continuum solids: A multiscale structure and dynamics (2015)
    American Institute of Physics (AIP)
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    Publication Date: 2015-08-11
    Description: We propose a concurrent multiscale molecular dynamics for molecular systems in order to apply macroscale mechanical boundary conditions such as traction and average displacement for solid state materials, which is difficult to do in traditional molecular dynamics where boundary conditions are applied in terms of forces and displacements on selected particles. The multiscale model is systematically constructed in terms of multiscale structures of kinematics, force field, and dynamical equations. The idea is to extend the Anderson-Parrinello-Rahman molecular dynamics to the cases that have arbitrary finite domain and boundary, thus the model is capable of solving inhomogeneous, non-equilibrium problems. The macroscale stress loading on a representative volume element with periodic boundary condition is generalized to all kinds of macroscale mechanical boundary conditions. Unlike most multiscale techniques, our theory is aimed at understanding fundamental physics rather than achieving computing efficiency. Examples of problems with prescribed average displacements and surface tractions are presented to demonstrate the validity of the proposed multiscale molecular dynamics.
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
    Published by American Institute of Physics (AIP)
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  • 15
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    Effects of polymer stiffness on surface tension and pressure in confinement (2015)
    American Institute of Physics (AIP)
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    Publication Date: 2015-08-11
    Description: We study the effect of chain rigidity on the behavior of semiflexible polymers in the vicinity of flat walls in a slit, and of surfactants at the liquid-liquid interface between immiscible liquids. Using molecular dynamics simulations, it is demonstrated that the impact of bending angle forces is particularly strong within the depletion layer at the phase boundary whereas at distance R e away from the interface, where R e is the mean distance between the ends of a semiflexible chain, the contribution of these non-local triplet interactions to pressure tensor virtually disappears. The present study also demonstrates that growing stiffness of the macromolecules leads to an increase in surface tension and total pressure.
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
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  • 16
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    Benchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and scalar-relativistic coupled-cluster methods (2015)
    American Institute of Physics (AIP)
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    Publication Date: 2015-08-11
    Description: Quantum-chemical computations of nuclear quadrupole-coupling parameters for 24 open-shell states of small molecules based on non-relativistic and spin-free exact two-component (SFX2C) relativistic equation-of-motion coupled-cluster (EOM-CC) as well as spin-orbital-based restricted open-shell Hartree-Fock coupled-cluster (ROHF-CC) methods are reported. Relativistic effects, the performance of the EOM-CC and ROHF-CC methods for treating electron correlation, as well as basis-set convergence have been carefully analyzed. Consideration of relativistic effects is necessary for accurate calculations on systems containing third-row (K-Kr) and heavier elements, as expected, and the SFX2C approach is shown to be a useful cost-effective option here. Further, it is demonstrated that the EOM-CC methods constitute flexible and accurate alternatives to the ROHF-CC methods in the calculations of nuclear quadrupole-coupling parameters for open-shell states.
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
    Published by American Institute of Physics (AIP)
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  • 17
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    Continuity of the maximum-entropy inference: Convex geometry and numerical ranges approach (2015)
    American Institute of Physics (AIP)
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    Publication Date: 2015-08-11
    Description: We study the continuity of an abstract generalization of the maximum-entropy inference—a maximizer. It is defined as a right-inverse of a linear map restricted to a convex body which uniquely maximizes on each fiber of the linear map a continuous function on the convex body. Using convex geometry we prove, amongst others, the existence of discontinuities of the maximizer at limits of extremal points not being extremal points themselves and apply the result to quantum correlations. Further, we use numerical range methods in the case of quantum inference which refers to two observables. One result is a complete characterization of points of discontinuity for 3 × 3 matrices.
    Print ISSN: 0022-2488
    Electronic ISSN: 1089-7658
    Topics: Mathematics , Physics
    Published by American Institute of Physics (AIP)
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  • 18
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    Materials, Vol. 8, Pages 5138-5153: A Unified Model for the Prediction of Yield Strength in Particulate-Reinforced Metal Matrix Nanocomposites (2015)
    MDPI Publishing
    In: Materials
    Details
    Publication Date: 2015-08-11
    Description: Lightweighting in the transportation industry is today recognized as one of the most important strategies to improve fuel efficiency and reduce anthropogenic climate-changing, environment-damaging, and human death-causing emissions. However, the structural applications of lightweight alloys are often limited by some inherent deficiencies such as low stiffness, high wear rate and inferior strength. These properties could be effectively enhanced by the addition of stronger and stiffer reinforcements, especially nano-sized particles, into metal matrix to form composites. In most cases three common strengthening mechanisms (load-bearing effect, mismatch of coefficients of thermal expansion, and Orowan strengthening) have been considered to predict the yield strength of metal matrix nanocomposites (MMNCs). This study was aimed at developing a unified model by taking into account the matrix grain size and porosity (which is unavoidable in the materials processing such as casting and powder metallurgy) in the prediction of the yield strength of MMNCs. The Zener pinning effect of grain boundaries by the nano-sized particles has also been integrated. The model was validated using the experimental data of magnesium- and titanium-based nanocomposites containing different types of nano-sized particles (namely, Al2O3, Y2O3, and carbon nanotubes). The predicted results were observed to be in good agreement with the experimental data reported in the literature.
    Electronic ISSN: 1996-1944
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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  • 19
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    Measurement of the transmission phase of an electron in a quantum two-path interferometer (2015)
    American Institute of Physics (AIP)
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    Publication Date: 2015-08-11
    Description: A quantum two-path interferometer allows for direct measurement of the transmission phase shift of an electron, providing useful information on coherent scattering problems. In mesoscopic systems, however, the two-path interference is easily smeared by contributions from other paths, and this makes it difficult to observe the true transmission phase shift. To eliminate this problem, multi-terminal Aharonov-Bohm (AB) interferometers have been used to derive the phase shift by assuming that the relative phase shift of the electrons between the two paths is simply obtained when a smooth shift of the AB oscillations is observed. Nevertheless, the phase shifts using such a criterion have sometimes been inconsistent with theory. On the other hand, we have used an AB ring contacted to tunnel-coupled wires and acquired the phase shift consistent with theory when the two output currents through the coupled wires oscillate with well-defined anti-phase. Here, we investigate thoroughly these two criteria used to ensure a reliable phase measurement, the anti-phase relation of the two output currents, and the smooth phase shift in the AB oscillation. We confirm that the well-defined anti-phase relation ensures a correct phase measurement with a quantum two-path interference. In contrast, we find that even in a situation where the anti-phase relation is less well-defined, the smooth phase shift in the AB oscillation can still occur but does not give the correct transmission phase due to contributions from multiple paths. This indicates that the phase relation of the two output currents in our interferometer gives a good criterion for the measurement of the true transmission phase, while the smooth phase shift in the AB oscillation itself does not.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 20
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    Energies, Vol. 8, Pages 8431-8446: A New Adsorbent Composite Material Based on Metal Fiber Technology and Its Application in Adsorption Heat Exchangers (2015)
    MDPI Publishing
    In: Energies
    Details
    Publication Date: 2015-08-11
    Description: In order to achieve process intensification for adsorption chillers and heat pumps, a new composite material was developed based on sintered aluminum fibers from a melt-extraction process and a dense layer of silico-aluminophosphate (SAPO-34) on the fiber surfaces. The SAPO-34 layer was obtained through a partial support transformation (PST) process. Preparation of a composite sample is described and its characteristic pore size distribution and heat conductivity are presented. Water adsorption data obtained under conditions of a large pressure jump are given. In the next step, preparation of the composite was scaled up to larger samples which were fixed on a small adsorption heat exchanger. Adsorption measurements on this heat exchanger element that confirm the achieved process intensification are presented. The specific cooling power for the adsorption step per volume of composite is found to exceed 500 kW/m3 under specified conditions.
    Electronic ISSN: 1996-1073
    Topics: Energy, Environment Protection, Nuclear Power Engineering
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