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At least 1,513 records · Page 84

Effects of localization on hot carriers in InAs/AlAs{sub x}Sb{sub 1–x} quantum wells

The temperature dependence of a InAs/AlAs{sub 0.84}Sb{sub 0.16} multi-quantum-well sample is studied using continuous wave photoluminescence. An “s-shape” shift in peak energy is observed and attributed to low energy localization states. High incident power density photoluminescence measurements were performed to probe the nature of such localization. The results opposed the possibility of a type-II band structure and supported the idea of low energy localization states. The effect of such localization on hot carriers in our system was studied and an improvement in their stability due to hole mobility at elevated temperature is presented.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Melting behaviour of gold-platinum nanoalloy clusters by molecular dynamics simulations

The melting behavior of bimetallic gold-platinum nanoclusters is studied by applying Brownian-type isothermal molecular dynamics (MD) simulation, a program modified from the cubic coupling scheme (CCS). The process begins with the ground-state structures obtained from global minimum search algorithm and proceeds with the investigation of the effect of temperature on the thermal properties of gold-platinum nanoalloy clusters. N-body Gupta potential has been employed in order to account for the interactions between gold and platinum atoms. The ground states of the nanoalloy clusters, which are core-shell segregated, are heated until they become thermally segregated. The detailed melting mechanism of the nanoalloy clusters is studied via this approach to provide insight into the thermal stability of the nanoalloy clusters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Photoluminescence quantum yield of PbS nanocrystals in colloidal suspensions

The absolute photoluminescence (PL) quantum yield (QY) of oleic acid-capped colloidal PbS quantum dots (QDs) in toluene is thoroughly investigated as function of QD size, concentration, excitation photon energy, and conditions of storage. We observed anomalous decrease of QY with decreasing concentration for highly diluted suspensions. The ligand desorption and QD-oxidation are demonstrated to be responsible for this phenomenon. Excess of oleic acid in suspensions makes the QY values concentration-independent over the entire reabsorption-free range. The PL emission is shown to be dominated by surface-related recombinations with some contribution from QD-core transitions. We demonstrate that QD colloidal suspension stability improves with increasing the concentration and size of PbS QDs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

First-principles study of structural stability, electronic, optical and elastic properties of binary intermetallic: PtZr

Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time. Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Cubic to hexagonal tuning in Fe 2 Mn(Si 1– x Ge x ) Heusler alloys

Here, the competition between the stability of the cubic and hexagonal full Heusler alloys and the implications concerning their magnetic properties were systematically studied through the detailed structural and magnetic characterization of the Fe 2 Mn(Si 1– x Ge x ) system. This system was specifically chosen as the parent compositions are cubic ( x = 0) and hexagonal ( x = 1). It is found that the formation of hexagonal phases occurs for the x ≥ 0.6 samples, whereas its phase fraction monotonically increases with x until the pure hexagonal Fe 2 MnGe is formed. The change in structure results in high sensitiveness of both the saturation of magnetization ($M_S$) and Curie temperature ($T_C$) with x values, related to a strong magnetocrystalline anisotropy of the hexagonal phase. Both cubic and hexagonal magnetic features were qualitatively reproduced by Density Functional Theory (DFT) calculations. This work provides an experimental and theoretical foundation for further design of Heusler systems with controlled structures and magnetic properties.

36 MATERIALS SCIENCE↗

Alkaline-Earth Chalcogenide Nanocrystals: Solution-Phase Synthesis, Surface Chemistry, and Stability

Increasing demand for effective energy conversion materials and devices has renewed interest in semiconductors comprised of earth-abundant and biocompatible elements. Alkaline-earth sulfides doped with rare earth ions are versatile optical materials. However, relatively little is known about controlling the dimensionality, surface chemistry, and inherent optical properties of the undoped versions of alkaline-earth monoand polychalcogenides. Here, we describe the colloidal synthesis of alkaline-earth chalcogenide nanocrystals through the reaction of metal carboxylates with carbon disulfide or selenourea. Systematic exploration of the synthetic phase space allows us to tune particle sizes over a wide range using a mixture of commercially available carboxylate precursors. Solid-state NMR spectroscopy confirms the phase purity of the selenide compositions. Surface characterization reveals that bridging carboxylates and amines preferentially terminate the surface of the nanocrystals. While these materials are colloidally stable in the mother solution, the selenides are susceptible to oxidation over time, eventually degrading to selenium metal through polyselenide intermediates. As part of these investigations, we have developed the colloidal syntheses of barium di- and triselenides, two among few reported nanocrystalline alkaline-earth polychalcogenides. Electronic structure calculations reveal that both materials are indirect band gap semiconductors. The colloidal chemistry presented here may enable the synthesis of more complex, multinary chalcogenide materials containing alkaline-earth elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The role of Si in determining the stability of the θ; precipitate in Al-Cu-Mn-Zr alloys

Precipitate-strengthened Al-Cu-Mn-Zr (ACMZ) alloys demonstrate improved microstructural stability compared to conventional Al-Cu alloys. Si is typically considered an impurity in these alloys, but a systematic analysis of ACMZ alloys with a range of Si levels revealed that there is a Si content range (~0.05 wt. % < Si < ~0.10 wt. %) for achieving optimal high temperature microstructural stability. A combination of hardness testing, scanning electron microscopy, and atom probe tomography has been used to understand the relationship between Si content, aging response, and thermal stability in ACMZ alloys. It is shown that the optimum Si content range corresponds to a reduced as-aged hardness, but a greater hardness value retained by the alloy after thermal exposure to 350 °C for 200 hours. A mechanism is proposed in which optimum Si levels reduce the number density of nucleation sites for θ' precipitates, resulting in larger precipitates that, on average, provide a reduced as-aged strength but are more coarsening resistant. This inherent θ' coarsening resistance allows more time for slow-diffusing Mn and Zr to reach the θ' interface and further stabilize the precipitates. Designing the optimal as-aged microstructure for improved thermal stability of the alloy by controlling impurity levels is a concept that has implications beyond the investigated Al-Cu alloy system.

36 MATERIALS SCIENCE↗

Effect of ammonia plasma treatment on graphene oxide LB monolayers

Graphene oxide monolayer sheets were transferred on Si and SiO{sub 2}/Si substrates by Langmuir-Blodgett technique and were exposed to ammonia plasma at room temperature. The monolayer character of both graphene oxide and plasma treated graphene oxide sheets were ascertained by atomic force microscopy. X-ray photoelectron spectroscopy and Raman spectroscopy revealed that ammonia plasma treatment results in enhancement of graphitic carbon content along with the incorporation of nitrogen. The conductivity of graphene oxide monolayers, which was in the range of 10{sup -6}-10{sup -7} S/cm, increased to 10{sup -2}-10{sup -3} S/cm after the ammonia plasma treatment. These results indicate that the graphene oxide was simultaneously reduced and N-doped during ammonia plasma treatment, without affecting the morphological stability of sheets.

36 MATERIALS SCIENCE↗

Effect of lattice deformation on exchange coupling constants in Cr{sub 2}O{sub 3}

We studied lattice deformation effect on exchange interaction in the corundum-type Cr{sub 2}O{sub 3} theoretically. First-principles electronic structure calculations were performed to evaluate the total energy and exchange coupling constants of Cr{sub 2}O{sub 3} under lattice deformation. We found that a few percent elastic deformation is expected via misfit strain and that the first- and second-nearest neighbor exchange coupling constants of Cr{sub 2}O{sub 3} strongly depend on the lattice deformation. These results imply a possibility for improving the thermal stability of Cr{sub 2}O{sub 3} based magnetoelectric devices by lattice deformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Critical behavior of resistivity in the pressure-induced first to second order transition in Pr{sub 0.6}Ca{sub 0.4}Mn{sub 0.96}B{sub 0.04}O{sub 3} (B=Co and Cr) polycrystals

We have investigated the hydrostatic pressure (P) dependence of the resistivity on Pr{sub 0.6}Ca{sub 0.4}Mn{sub 0.96}B{sub 0.04}O{sub 3} (B = Co and Cr) polycrystals. At ambient pressure, the temperature dependence of resistivity [ρ(T)] of both the samples show a first order paramagnetic insulator-ferromagnetic metallic transition at T=T{sub IM}. The application of P on both the samples increases the T{sub IM}, reduces the resistivity, and suppresses the hysteresis width, indicating a crossover from first to second order transition. The critical pressure, where the first-second order crossover takes place, are 2.02 and 2.40 GPa for Co and Cr doped samples respectively. The critical property of both systems around second order transition is investigated using Fisher-Langer relation and Suezaki-Mori method. The estimated critical exponents are close to the three-dimensional Heisenberg model for the Co doped sample suggesting short range interaction, and the exponents for the Cr doped sample follow the mean field theory suggesting long range ferromagnetic order. Further, the application of P suppresses the high temperature resistivity by reducing high temperature polarons in the case of the Cr doped sample, but it does not happen for the Co doped sample. The application of P helps to examine the stability of polarons in the high temperature regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Speculation of equilibrium pressure of Ti{sub 36}Zr{sub 40}Ni{sub 20}Pd{sub 4} icosahedral quasicrystal

Ti-Zr-Ni quasicrystals have been demonstrated to store a large number of hydrogen atoms, which implies strong potential application in hydrogen energy field for them. However, the desorption of hydrogen atoms in the quasicrystals is quite difficult, with the indication of high desorption temperature and slow desorption rate. The shortage limits their use in the field to a large extent. But this kind of quasicrystals might be used in nuclear fusion energy field, because tritium as a coral fuel for nuclear fusion needs tight storage. However, equilibrium pressure at room temperature of Ti-Zr-Ni quasicrystals, important for their application in fusion energy field, has not been clear yet. In this work, we designed a gas-solid reaction system with the pressure resolution of 10{sup −8}Pa and carried out hydrogen desorption investigation at different temperatures on Ti{sub 36}Zr{sub 40}Ni{sub 20}Pd{sub 4} icosahedral quasicrystal. Based on three Pressure-Composition-Temperature desorption curves, we speculate according to Van’t Hoff theory about hydrogen storage that its equilibrium pressure at room temperature could be at the magnitude of 10{sup −6}Pa, displaying good stability of hydrogen in the quasicrystal and also implying application prospects in fusion energy field for quasicrystals of this type.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fast 704 MHz Ferroelectric Tuner for Superconducting Cavities

The Omega-P SBIR project described in this Report has as its goal the development, test, and evaluation of a fast electrically-controlled L-band tuner for BNL Energy Recovery Linac (ERL) in the Electron Ion Collider (EIC) upgrade of the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory (BNL). The tuner, that employs an electrically-controlled ferroelectric component, is to allow fast compensation to cavity resonance changes. In ERLs, there are several factors which significantly affect the amount of power required from the wall-plug to provide the RF-power level necessary for the operation. When beam loading is small, the power requirements are determined by (i) ohmic losses in cavity walls, (ii) fluctuations in amplitude and/or phase for beam currents, and (iii) microphonics. These factors typically require a substantial change in the coupling between the cavity and the feeding line, which results in an intentional broadening of the cavity bandwidth, which in turn demands a significant amount of additional RF power. If beam loading is not small, there is a variety of beam-drive phase instabilities to be managed, and microphonics will still remain an issue, so there remain requirements for additional power. Moreover ERL performance is sensitive to changes in beam arrival time, since any such change is equivalent to phase instability with its vigorous demands for additional power. In this Report, we describe the new modular coaxial tuner, with specifications suitable for the 704 MHz ERL application. The device would allow changing the RF-coupling during the cavity filling process in order to effect significant RF power savings, and also will provide rapid compensation for beam imbalance and allow for fast stabilization against phase fluctuations caused by microphonics, beam-driven instabilities, etc. The tuner is predicted to allow a reduction of about ten times in the required power from the RF source, as compared to a compensation system with narrower bandwidth. It is planned to build a 704 MHz version of the tuner, to check its underlying principles, and to make high-power tests at power densities aimed towards controlling 50 kW of average power. Steps towards this goal will be limited by, among other factors, losses in the actual ferroelectric elements in the ferroelectric assemblies. As the ferroelectric material loss tangent is reduced through efforts by the supplier Euclid TechLabs LLC, the concomitant power loss in its ferroelectric assemblies will drop, and the average power-handling capability of the Omega-P tuner will rise. It can thus be anticipated that the Phase II development project of the 704 MHz tuner will be iterative, but the pace and ultimate power-handling level of the tuner is difficult to predict at this early stage in Euclid's development program. Fortunately, since Omega-P's conceptual tuner is a simple module (nominally rated for 5 kW), so that the number of modules required in each tuner can be chosen, depending upon the cavity power level needed, plus the power for tuner losses.

43 PARTICLE ACCELERATORS↗

Storage stability and improvement of intermediate moisture foods, phase 2

Methods for improvement of shelf-life stability of intermediate moisture foods are considered. It was found that vitamin C is the most limiting vitamin from a nutritional standpoint with its rate of destruction increasing with a sub w. Techniques for microbial challenge studies were developed. It was shown that organisms have a higher growth a sub w limit if the IMF is prepared by the adsorption process and long times are needed for challenge studies. Several alternative antimycotic systems were found. It was also found that the vegetative cells of pathogens have a maximum heat resistance in the IMF a sub w range. If glycols are in the formula, the IMF should have as high an a sub w as possible. The reverse is true if lipid oxidation occurs. In addition, to prevent rancidity, antioxidants and a low O2 atmosphere are necessary. The package also must be a good moisture barrier.

Labuza, T. P.↗

Analysis of thermoelectric properties of high-temperature complex alloys of nickel-base, iron-base and cobalt-base groups

The thermoelectric properties alloys of the nickel-base, iron-base, and cobalt-base groups containing from 1% to 25% 106 chromium were compared and correlated with the following material characteristics: atomic percent of the principle alloy constituent; ratio of concentration of two constituents; alloy physical property (electrical resistivity); alloy phase structure (percent precipitate or percent hardener content); alloy electronic structure (electron concentration). For solid-solution-type alloys the most consistent correlation was obtained with electron concentration, for precipitation-hardenable alloys of the nickel-base superalloy group, the thermoelectric potential correlated with hardener content in the alloy structure. For solid-solution-type alloys, no problems were found with thermoelectric stability to 1000; for precipitation-hardenable alloys, thermoelectric stability was dependent on phase stability. The effects of the compositional range of alloy constituents on temperature measurement uncertainty are discussed.

Holanda, R.↗

Understanding the stable boron clusters: A bond model and first-principles calculations based on high-throughput screening

The unique electronic property induced diversified structure of boron (B) cluster has attracted much interest from experimentalists and theorists. B{sub 30–40} were reported to be planar fragments of triangular lattice with proper concentrations of vacancies recently. Here, we have performed high-throughput screening for possible B clusters through the first-principles calculations, including various shapes and distributions of vacancies. As a result, we have determined the structures of B{sub n} clusters with n = 30–51 and found a stable planar cluster of B{sub 49} with a double-hexagon vacancy. Considering the 8-electron rule and the electron delocalization, a concise model for the distribution of the 2c–2e and 3c–2e bonds has been proposed to explain the stability of B planar clusters, as well as the reported B cages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low temperature regulated growth of PbS quantum dots by wet chemical method

Narrow size distribution with regulated synthesis of lead sulfide (PbS) quantum dots (QDs) was achieved through wet chemical method. Different concentrations of 2-mercaptoethanol (capping agent) were used for tailoring the QDs size. Transmission electron microscopy and X-ray diffraction studies revealed that the QDs have mean diameters between 6 to 15 nm. The optical absorption spectra were compared to the predictions of a theoretical model for the electronic structure. The theory agrees well with experiment for QDs larger than 7 nm, but for smaller dots there is some deviation from the theoretical predictions. Consequently, the produced particles are having monodispersity, good water solubility, stability and may be good arguments to be biologically compatible due to the use of 2-mercaptoethanol.

36 MATERIALS SCIENCE↗

Thermal stability of bimetallic Au/Fe nanoparticles in silica matrix

Thin silica film containing Au and Fe bimetallic nanoparticles were prepared by atom beam cosputtering. The samples were annealed at different temperatures from 400 to 800° C to study the thermal stability of bimetallic nanoparticles using X ray diffraction. It is observed that at 800° C strong structural rearrangement took place leading to thermal decomposition of bimetallic nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗