Bulk samples of a novel cermet (ceramic/metal composite) hydrogen transport membrane (HTM) were subjected to thermal cycling in the temperature range between 25-850°C to study phase transformations and microstructural changes under thermal shock. Scanning electron microscopy (SEM) and electron probe micro analyzer (EPMA) with energy dispersive spectroscopy (EDS) were used to characterize the microstructural and chemical changes in the membrane upon thermal cycling. SEM & EPMA analyses indicated that the temperature gradient during thermal cycling produced more micro-cracks inside the HTM disc, whereas, the chemical reaction between Pd and oxygen to form PdO disturbed the continuity of the metal palladium (Pd) - Yttria Stabilized Zirconia (YSZ) dual phases interconnection system from surface down. The agglomerates of un-crystallized YSZ grains found to be the inherent in the cracks of the as-received HTM. A combination of trans-granular and inter-granular crack propagation results around the YSZ grains and the new precipitates. Based on the electron fractography analyses by both SEM and EPMA, the micro voids coalescence develops ahead of the crack tips in the cross-section of the HTM after 500 thermal cycles.

We prepared silicon hyperdoped with sulfur by ion-implantation followed by pulsed laser melting. Effects of laser fluence during pulsed laser melting and of post-annealing on the silicon hyperdoped with sulfur are investigated. The structure of hyperdoped layer changes from poly-to mono-crystal with increasing laser fluence. Interface between sulfur-implanted-layer and single-crystal substrate disappear above 1.1 J/cm2. The spectral intensity of mid-infrared (MIR) optical absorption increases with crystallinity and spectral shape depends on whether the melt depth during pulsed laser melting reaches interface between implanted layer and single-crystal silicon substrate or not. The MIR absorption intensity rapidly decreases with thermal annealing temperature and almost disappears at 750 °C. The activation energy of conductivity decreases with increasing laser fluence and further decreases with increasing post thermal-annealing temperature. The insulator-metal transition is observed for the sample annealed at 750 °C. These results indicate that there is no direct correlation between MIR optical absorption band and insulator-metal transition.

The wide range of optical band gaps of InGaN thin films led to considerable research in increasing the efficiency of solar cells. In this study, we present electrical, optical and structural properties of InGaN thin films grown by in situ rf sputtering method. Several samples of InGaN were deposited on aluminosilicate glass and silicon(111) substrates at different temperatures and varying N2 flow ratio. Growth temperatures are 35 °C, 150 °C, 200 °C. Aluminum metal contacts are deposited using DC sputtering method. Resistivity, mobility, conductivity values and their changes with respect to temperature are recorded using hall-effect measurement system. Band gap values and their changes with respect to N2 flow ratio in ( Ar+N2) mixture were calculated using UV spectrophotometer and tauc plots. Atomic composition was calculated using Energy-dispersive X-ray spectroscopy (EDX) analysis. Amorphous/crystalline nature of the samples are verified using XRD analysis.

The results of molecular dynamics (MD) simulations of dislocation glide in GaN using a Tersoff potential are presented. The simulation methodology involves applying a constant shear stress to a single crystal system containing an individual dislocation, with multiple slip systems considered. Upon reaching a steady state, the dislocation velocity as a function of applied stress and temperature are determined. Edge dislocations with a-type Burgers vectors in the basal, prismatic and pyramidal planes have been analyzed over the temperature range of 300-1300K. The results from simulations of c-type edge dislocations at 1300 K are also presented.

In this paper we present a study of the switching kinetics of SrTiO3 based resistive switching memory devices. A pulse scheme is used to cycle the cells between the high resistive state (HRS) and the low resistive state (LRS) thereby monitoring the transient currents for a precise analysis of the SET and RESET transitions. By variation of the width and amplitude of the applied pulses the switching kinetics are studied between 10-8 and 104 s. Taking the pre-switching currents into account, a power dependency of the SET is found that emphasizes the importance of local Joule heating for the nonlinearity of the switching kinetics.

The advancement of computational tools for material property predictions enables broad search of novel materials for various energy-related applications. However, challenges still exist in accurately predicting the mean free paths (MFPs) of electrons and phonons in a high-throughput frame for thermoelectric property predictions, which largely hinders the computation-driven search for novel materials. In this work, this need is eliminated under the small-grain-size limit, in which these MFPs are restricted by the grain sizes within a bulk material. A new criterion for ZT evaluation is proposed for general nanograined bulk materials and is demonstrated with representative oxides.

Understanding the interaction of water with biological materials is of fundamental importance. One of main driving forces behind the renewed activity of biomimetic materials involves the dramatic physical properties that many of them exhibit. Two main factors that are critical for understanding silks: the nanoscale semi-crystalline folding structure, and the degree of hydration of the disordered fraction. We describe our investigation of the preparation, characterization and inelastic neutron scattering (INS) studies of the microscopic dynamics of natural Bombyx mori silk fibroin proteins derived from silkworm cocoons. An in situ quartz microbalance is used for monitoring/controlling the hydration and solvent levels of the proteins electrospun onto neutron sample holders. By employing these novel methods our INS investigation facilitated a snapshot of the microscopic silk protein dynamics heretofore not investigated or reported. Preliminary INS measurements illustrate the effect of water and methanol interaction on the dynamics of the fibroin β-pleated sheet component. Evidence of what appears to be a water component (intersheet) distinct from bulk water is clearly apparent in the INS spectrum when the dynamical response from the dry silk is subtracted away.

Novel and more conventional boron carbides were combined with n-type silicon to make heterojunction diodes, with neutron capture signal at zero applied bias. The boron carbides were based on the cross linking of closo-1,2-dicarbadodecaborane (ortho-carborane; 1,2-B10C2H12), and cross linking based on the combination of closo-1,2-dicarbadodecaborane (ortho-carborane; 1,2- B10C2H12) and pyridine. In the latter devices, pyridine concentration was varied; samples with a closo-1,2-dicarbadodecaborane (ortho-carborane; 1,2- B10C2H12) to pyridine ratio of 1:1 (BC:Py1) and 1:3 (BC:Py3). The result is a nonvolatile robust p-type semiconductor of boron carbide (B10C2Hx):(C5NHx)y. The I(V) curves for the resulting heterojunction diodes exhibit strong rectification where the normalized reverse bias leakage currents are largely unperturbed with increasing pyridine inclusion. The devices are largely gamma insensitive and yet neutron voltaic properties of these boron carbides is demonstrated. The neutron capture generated pulses from these heterojunction diodes were obtained at zero bias voltage although without the characteristic signatures of complete charge collection from boron neutron capture generated electron-hole pair production. These results, nonetheless, suggest that modifications to boron carbide may result in better neutron voltaic materials with linking groups chosen from family of aromatic compounds that stretch between borazine (B3N3H6) and benzene that point the way to a whole family of future studies that may ultimately lead to boron carbides better suited to low power and low flux neutron detection.

This work studies the change microstructural and mechanical properties of biomedical component hot forging of titanium; was assessed quantitatively and qualitatively the microstructural features obtained in this titanium biocompatible Ti6Al4V. The forging process was obtained at temperature of 950 °C, after by technical optical microscopy are obtained the microstructural characterization showing the phases present after forging. Likewise, the technical X-ray diffraction (XRD) shows the presence of the phases. Also is evaluated the hardness and modulus of elasticity by technical nanoindentation. The characterization of this material has the objective to show that the results obtained with temperature study of 950 °C. Likewise by the forging process obtained a type phases and optimal properties required for these biomedical materials.

Based on the Kubo-Greenwood formula, the thermoelectric effects in periodically and quasiperiodically segmented nanowires are studied by means of a real-space renormalization plus convolution method, where the electrical and lattice thermal conductivities are respectively calculated by using the tight-binding and Born models; the latter includes central and non-central interactions between nearest-neighbor atoms. The results show a significant enhancement of the thermoelectric figure-of-merit (ZT) induced by the structural disorder and/or the reduction of nanowire cross-section area. In addition, we observe a maximum ZT in both the chemical-potential and temperature spaces.

Dynamical effects of non-conservative forces in long, defect free atomic wires are investigated. Current flow through these wires is simulated and we find that during the initial transient, the kinetic energies of the ions are contained in a small number of phonon modes, closely clustered in frequency. These phonon modes correspond to the waterwheel modes determined from preliminary static calculations. The static calculations allow one to predict the appearance of non-conservative effects in advance of the more expensive real-time simulations. The ion kinetic energy redistributes across the band as non-conservative forces reach a steady state with electronic frictional forces. The typical ion kinetic energy is found to decrease with system length, increase with atomic mass, and its dependence on bias, mass and length is supported with a pen and paper model. This paper highlights the importance of non-conservative forces in current carrying devices and provides criteria for the design of stable atomic wires.

The influence of the substrate temperature on the morphology and ordering of InGaAs quantum dots (QD), grown on GaAs (001) wafers by Molecular Beam Epitaxy (MBE) under As2 flux has been studied using Transmission Electron Microscopy (TEM), Atomic Force Microscopy (AFM) and Photoluminescence (PL) measurements. The experimental results show that lateral and vertical orderings occur for temperatures greater than 520°C and that QDs self-organize in a 6-fold symmetry network on (001) surface for T=555°C. Vertical orderings of asymmetric QDs, along directions a few degrees off [001], are observed on a large scale and their formation is discussed.

In the early 1970s, experts predicted that the practical limit of ready-mixed concrete would be unlikely to exceed a compressive strength greater than 90 MPa [1]. Over the past two decades, the development of high-strength concrete has enabled builders to easily meet and surpass this estimate. The primary difference between high-strength concrete and normal-strength concrete relates to the compressive strength that refers to the maximum resistance of a concrete sample to applied pressure. Although there is no precise point of separation between high-strength concrete and normal-strength concrete, the American Concrete Institute defines high-strength concrete as concrete with a compressive strength greater than 45 MPa. Manufacture of high-strength concrete involves making optimal use of the basic ingredients that constitute normal-strength concrete. When selecting aggregates to obtain high-strength concrete, we consider strength, optimum size distribution, surface characteristics and a good bonding with the cement paste that affect compressive strength. Selecting a high-quality Portland cement and optimizing the combination of materials by varying the proportions of cement, water, aggregates, and admixtures is also necessary. Any of these properties could limit the ultimate strength of high-strength concrete. Pozzolans, such as fly ash and silica fume along with silicic acid, are the most commonly used mineral admixtures in high-strength concrete. These materials impart additional strength to the concrete by reacting with Portland cement hydration products to create additional Calcium Silicate Hydrate (CSH) gel, the part of the paste responsible for concrete strength; finally the most important admixture is polycarboxylate ether as super plasticizer. It would be difficult to produce high-strength ready-mixed concrete without using chemical admixtures. In this paper we study the use of high performance concrete (HPC) to obtain very narrow strong pre-fabricated elements for water conducting channels.

Calculations based on Poisson-Boltzmann theory are used to investigate the equilibrium properties of an electrolyte containing TcO4 − and SO4 2− ions near the surface of amorphous silica. The calculations show that the concentration of TcO4 − is greater than SO4 2− at distances less than 1 nm from the surface due to the negative charge density caused by deprotonation of the amorphous silica silanol groups. At lower pH, the surface becomes protonated and the magnitude of this effect is reduced. These results have implications for the potential use of oxyanion-SAMMS for the environmental remediation of water contaminated with 99Tc.