A systematic first-principles study was conducted on the stability of binary iron carbides. The calculations showed that all the binary iron carbides are unstable relative to the elemental solids (α-Fe and graphite). Apart from a cubic Fe23C6 phase, the energetically most favorable carbides exhibit hexagonal close-packed (hcp) Fesublattices. Structural relaxation of the hcp iron carbides was analyzed and discussed together with their relative thermodynamically stability. Finite-temperature analysis showed that contributions from lattice vibration and anomalous magnetic ordering (Curie-Weiss behavior), rather than from the conventional lattice mismatch with the matrix, are the origin of the high stability and predominance of cementite among the iron carbides in steels.

Microneedles have applications in drug delivery and biotechnology. We report a novel needle-like hollow cylindrical structure as a base for the growth of carbon nanotubes (CNT) to form a cage-like structure. The formation of hollow microneedle structures is feasible on Si-membranes using proper patterning of the masking layer and combined by a deep reactive ion etching. The formation of highly featured structures at micro and nanometric scale is reported. By controlling the etching parameter one is able to achieve three-dimensional as well as highly vertical structures on silicon substrates. The growth of carbon nanotubes on such structures allows the realization of cage-like carbon-based features which could be suitable for gas and liquid transport.

Cobalt ferrite nanoparticles were prepared by co-precipitation method and were heat treated at 100 o C, 200 o C, 400 o C and 600 o C for 2 h to increase the particle size. Phase purity of samples was confirmed by X-ray diffraction. Scherrer formula calculations showed crystallite size varied from 12 to 24 nm when heated from 100 o C to 600 o C. Transmission electron microscopy reveals a uniform and narrow particle size distribution about 12 nm for as-prepared cobalt ferrite particles. Room temperature saturation magnetization was found to vary from 40.8 to 67.0 emu/g as the particle size increased from12 nm to 24 nm. Increase in saturation magnetization with increase in particle size was attributed to the presence of magnetic inert layer on the surface of nanoparticles. Inert layer thickness calculated at 10 K and 300 K was 6 Å and 11 Å respectively. The dielectric properties ε’, tanδ, Z and θ have been studied as a function of frequency and particles size. For the 12 nm grain size, the dielectric constant is one order higher than that of bulk cobalt ferrite. Increase in the grain size showed an increase in the dielectric constant. The increase in the conductivity with grain size is mainly due to the grain size effects. The present study shows that the dielectric properties can be tailor-made to suit the requirement of a particular application by controlling the grain size.

The degradation mechanism of CdSe/ZnS quantum dots (QDs) light-emittingdiodes (LEDs) was investigated with steady-state and time-resolvedphotoluminescence measurements. Our study reveals that the degradation isassociated with the decreasing quantum efficiency of the CdSe/ZnS QDs in thedevices. Two mechanisms that cause the efficiency reduction were verified inthe experiments: i.e., thermal instability and luminescence quenching.

Void formation in irradiated materials is an intriguing and technologically important physical process associated with radiation damage. In this communication, we present a diffuse interface model for simulating void formation in materials under irradiation. Voids are treated as aggregates of vacancies left from the cascade damage. The emergence of the void ensembles in the irradiated material is modeled by an Allen-Cahn equation coupled with two Cahn-Hilliard equations governing the space and time evolution of vacancies and interstitials. The governing system of equations includes stochastic generation of point defects representing the cascade process, reaction of vacancies and interstitials, interaction of point defects with extended defects (viz., void surface and grain boundaries) and thermal fluctuations in defects. Numerical simulations demonstrating the model capabilities with respect to nucleation and growth of voids and swelling of the irradiated material are presented.

We study and demonstrate the potential benefits of using a transverse junction structure in GaN LEDs by simulating and comparing the structure with conventional vertical injection structures.The direct current injection component enabled by the transverse structure significantly reduces the height of the polarization-induced potential barriers and facilitates the electron flow into the active material, improving the overall efficiency. In addition, the transverse junction structure enables a more even radiative recombination distribution from different quantum wells. We estimate the attainable optical output efficiency and also discuss the influence of the active layer design on the quantum efficiency. Based on the obtained results, shifting from the conventional 1-dimensional LED structures to genuinely 2-dimensional structures may allow new possibilities to optimize LED performance.

A high dielectric constant was observed in 0-3 composites using P(VDF-TrFE) copolymer as matrix and CaCu3TiO4 (CCTO) ceramic powders as fillers with a composition of 50 vol% CCTO. CCTO-P(VDF-TrFE) 0-3 composites with a CCTO content from 0 to 50 vol% were prepared and their dielectric properties, including frequency dependence and temperature dependence of the dielectric constant and loss, were characterized. It was experimentally observed that the hot-press process, inlcuding the configuration and hot-press time, has a strong influence on the dielectric properties of the composites. Additionally, the influence of the CCTO partice size on the dielectric properties of the composites was studied.

Recently, Nb-Si alloys have attracted attentions as substitutional materials of Ni-based superalloys because of its low density and high melting point. For attaining good room temperature toughness of Nb-Si alloys, proposed is a microstructure-control technique by combining eutectic reaction (L->Nb+Nb3Si) and eutectoid reaction (Nb3Si->Nb+ Nb5Si3) for spheroidizing Nb5Si3 strengthening phase embedded in Nb matrix [1]. For the solid solution strengthening of Nb matrix phase W and Mo are very effective, but Nb3Si phase disappears by adding these elements of as small as 3 at%. In contrast, Ti and Ta stabilize Nb3Si phase. For a further alloy development, establishment of an alloy design based on the control of phase stability of Nb3Si is needed. In the previous study [2], it was revealed that the phase stability of Nb3Si can be controlled by selecting appropriate Ta/Mo ratio. In the present study, this approach is expanded to other combinations of stabilizing and destabilizing elements of Nb3Si, such as Ti and W, Ta and W, and Ti and Mo. Vickers hardness tests were conducted on the heat-treated samples to reveal effects of additives on mechanical properties of Nb-Si alloy.

The authors present electrical comparisons on an array of test structures including organic lateral diodes and thin film transistors (OTFT), fabricated with a range of disordered and polycrystalline organic semiconductors, to examine the increasing need for effective isolation for organic-based circuits. As the minimum feature size decreases, circuit components become closely positioned, which leads to increased electrical crosstalk. The organic semiconductors utilised for this work include solution-processable organic semiconductors such as disordered polymers P3HT and PTAA, and a polycrystalline material TIPS-pentacene. In order to predict the magnitude required for isolation for the different semiconductors, simple test structures have been designed consisting of two gold electrodes separated by a distance ranging from 4 μm up to 2000 μm. The bulk conductivity from such test structures provides the limits at which circuit components may be placed for crosstalk free operation. The work presented culminates in the development of an isolation layer to help reduce the off-currents and gate leakages of the OTFTs.

Long duration storage of large quantities of cryogenic fluids for propulsion, power, and life-support is an essential requirement for missions into space. Efficient and reliable insulation materials are key to the success of these missions. The required insulation material must outperform the current standard multi-layer insulation (MLI) for thermal insulation and provide additional features such as durability, micrometeoroid orbital debris protection, and flexibility, all in one single-layer material. Ultra-low density and highly hydrophobic fiber reinforced aerogel material integrated with MLI has the potential to offer a great insulation package which will overcome several issues that the current standard MLI alone suffers from such as: 1) damage during installation, 2) high cost, and 3) degradation over time. The hybrid aerogel/MLI solution affords a more reliable alternative because it is robust, and will outperform the MLI in cases of vacuum loss. Low density and highly resilient methylsilicate aerogel will contribute less solid conductivity to the overall heat transfer within the aerogel/MLI system. Sol-gel optimization of low density and low dust methylsilicate aerogels will be presented. Thermal performance of two prototypes of hybrid aerogel/MLI composites and a baseline MLI system (1 inch thick, 90 layers) fabricated by Aerospace Fabrication and Materials (AFM) and tested at cryogenic temperatures under different vacuum level conditions (at Cryogenic Laboratory, NASA KSC) will also be presented.

This study has investigated the crack growth retardation effect due to plural nano-scale voids in Cu single crystals using a molecular dynamics (MD) method. Focusing on an interaction between nano-scale voids and dislocations, we have evaluated the optimum placement for crack growth retardation. MD simulations showed that the dislocation activity was further enhanced due to plural nano-scale voids continuously placed on the primary slip direction. The significant ductility enhancement and slight yield stress increase due to the crack shielding effect of nano-scale voids were observed.

In this study, the open circuit voltage (VOC) of poly (3-hexylthiophene-2,5-diyl) (P3HT) and [6,6]-phenyl C61-butyric acid methyl ester (PCBM) bulk heterojunction (BHJ) organic solar cells was measured at temperatures ranging from 300 K to 400 K. The temperature dependence of the vacuum shift and of the highest occupied molecular orbital (HOMO) energy level of P3HT and PCBM were measured by ultraviolet photoelectron spectroscopy (UPS) in the same temperature range. The temperature dependence of the absorption edge was also studied in the same temperature range to obtain the temperature variation of the optical band gap energy (Eg). The measured VOC of the devices showed a clear decreasing trend with increasing operating temperature and the total decrease was found to be about 0.1 V. Although the origin of VOC is still not fully understood it is generally believed that the energy level offset between the HOMO of the donor and the LUMO of the acceptor minus the exciton binding energy (0.3 eV) directly determines the value of VOC. However, by utilizing the measured values of the HOMO for the P3HT (donor) and of the LUMO for the PCBM (acceptor), we have found that the calculated values of VOC and its temperature dependence do not agree with the measured VOC values. This indicates that factors other than the offset between the HOMO of the donor and the LUMO of the acceptor materials are impacting VOC.

The composition areas of the A2/L21 two-phase field in the Fe-Al-Ti-Cr quaternary system at 800 ºC and 700 ºC were investigated using a diffusion-multiple (DM) technique for which Fe-30Al-7Ti, Fe-30Cr-7Ti and Fe-7Ti alloys were diffusion-coupled and heat-treated. The A2/L21 two-phase field was found to expand slightly toward lower Al content when the Cr content is increased. The field is slightly shifted toward lower Al content when the temperature is decreased.

To develop new functional fluorescence probe based on semiconductor nanoparticles, such as quantum dots (QD)s, we investigated polymer particle embedding QDs and covered with artificial cell membrane-biointerface. These nanoparticles were prepared by assembling 2-methacryloyloxyethyl phosphorylcholine (MPC) polymer as a platform and biomolecules immobilized on the surface of the nanoparticles. The fluorescence property of QDs remained after embedding in the polymer nanoparticles. The MPC polymer surface showed high resistance to non-specific cellular uptake due to the phosphorylcholine groups in the side chain. On the other hand, when cell-penetration oligopeptide, octaarginine was immobilized on the surface, they could permeate the membrane of cells effectively and good fluorescence based on QDs could be observed. Cytotoxicity and inflammation reaction was not produced by these nanoparticles even after immobilization of octapeptide. In conclusion, we could obtain stable fluorescence polymer nanoparticles covered with artificial cell membrane, which are useful as an excellent bioimaging probe and as a novel evaluation tool for biomolecular function in the target cells.

Synthetic CdZnTe or “CZT” crystals are highly suitable for γ-spectrometers operating at the room temperature. Secondary phases (SP) in CZT are known to inhibit detector performance, particularly when they are present in large numbers or dimensions. These SP may exist as voids or composites of non-cubic phase metallic Te layers with bodies of polycrystalline and amorphous CZT material and voids. Defects associated with crystal twining may also influence detector performance in CZT. Using transmission electron microscopy, we identify two types of defects that are on the nano scale. The first defect consists of 40 nm diameter metallic Pd/Te bodies on the grain boundaries of Te-rich composites. Although the nano-Pd/Te bodies around these composites may be unique to the growth source of this CZT material, noble metal impurities like these may contribute to SP formation in CZT. The second defect type consists of atom-scale grain boundary dislocations. Specifically, these involve inclined “finite-sized” planar defects or interfaces between layers of atoms that are associated with twins. Finite-sized twins may be responsible for the subtle but observable striations that can be seen with optical birefringence imaging and synchrotron X-ray topographic imaging.

The third accelerator of the multi-ion irradiation platform JANNUS (Joint Accelerators for Nanosciences and NUclear Simulation), a 6SDH-2 Pelletron from National Electrostatic Corporation, Middleton was installed at Saclay in October 2009. The first triple beam irradiation combining Fe, He and H ion beams has been performed in March 2010 on a Fe-12Cr model ODS alloy. In the first part of this paper, we give a technical description of the triple beam facility. Then, we present its performances and experimental capabilities. Typically, damage dose up to 100 dpa can be reached in 10 hours irradiation with heavy ion beams, with or without simultaneous bombardment by protons, helium-4 ions or any other heavy ion beam. In the second part of this paper, we illustrate some recent experiments relative to advanced nuclear ceramics and composite materials developed in the frame of the Generation IV Forum research program or for fusion applications.

The effect of microstructure on cold-rolling workability and tensile properties of Ni3Si (L12)−Ni3Ti (D024)−Ni3Nb (D0a) multi-phase intermetallic alloys was investigated. The cast alloys with different microstructures containing the D024 phase and/or the D0a phase particles in the L12 matrix were homogenized and then cold rolled. For the alloys with the microstructure consisting of coarse plate-like D024 particles in the L12 matrix, serious cracks initiated at the coarse D024 particles in the early stage of the cold rolling process and then propagated, resulting in failure of the rolled plate. On the contrary, for the alloys with the microstructure consisting of fine needle-like D024 precipitates and/or granular-shaped D0a particles, these second phase particles did not spoil the cold workability, leading to successful cold rolling to 90 % reduction. After 90 % cold rolling, the rolled sheets were fully recrystallized at 1173 K for 1 h, resulting in the formation of a fine-grained microstructure. The room-temperature tensile strength and the yield stress of the recrystallized sheet were remarkably enhanced compared with that of the unrolled alloys, possibly due to the fine-grained microstructure as well as the particle hardening. Also, the high-temperature tensile strength and the elongation were improved in the recrystallized sheets compared to an L12 single-phase Ni3(Si,Ti) alloy sheet. Consequently, it was found that the cold rolling and annealing process was beneficial to improve the tensile properties for the present multi-phase intermetallic alloys.

Deoxyribonucleic acids provide exciting opportunities as templates in self assembled architectures and functionality in terms of optical and electronic properties. In this study, we investigate the effects of metalized DNA sequences in organic bulk-heterojunction solar cells. These effects are characterized via optical, quantum efficiency and current-voltage measurements. We demonstrated that by arranging the band energy structure of the devices via placing metalized deoxyribonucleic acid sequences on the hole collection side of the active layer lead to a 20% increase in the power conversion efficiency.

The growth of epitaxial semiconductor nanostructures and films at low temperatures is important for semiconductor technology because it allows the possibility of monolithically integrating different high-performance single-crystalline semiconductor structures directly onto low cost technologically important substrates. At sufficiently low temperatures this can enable, for example, Si or Ge device fabrication on flexible substrates such as plastics. We have studied the reduced-temperature liquid-mediated growth of Ge nanostructures and films on crystalline template layers on non-single-crystalline substrates in a low-pressure chemical vapor deposition (LPCVD) system. The heteroepitaxial process is implemented by the Au seeded vapor-liquidsolid (VLS) catalytic growth technique with germane below 400 ºC. Crystalline template layers were prepared with ion-beam-assisted-deposition (IBAD) texturing and electron-beam evaporation on glass substrates. A thin layer of e-beam evaporated Au forms the catalyst layer, upon which we grew Ge films at 386 ºC. Scanning electron microscopy and x-ray diffraction results indicated that both Ge islands and nanowires grew heteroepitaxially on the crystalline template layers on glass substrates with good alignment over large areas.