An integrated 2-D model of a lithium ion battery: The effect of material parameters and morphology on storage particle stress

An integrated 2-D model of a lithium ion battery is developed to study the mechanical stress in storage particles as a function of material properties. A previously developed coupled stress-diffusion model for storage particles is implemented in 2-D and integrated into a complete battery system. The effect of morphology on the stress and lithium concentration is studied for the case of extraction of lithium in terms of previously developed non-dimensional parameters. These non-dimensional parameters include the material properties of the storage particles in the system, among other variables. We examine particles functioning in isolation as well as in closely-packed systems. Our results show that the particle distance from the separator, in combination with the material properties of the particle, is critical in predicting the stress generated within the particle. © 2012 Springer-Verlag.

Physical properties of a hybrid and a nanohybrid dental light-cured resin composite.

This work was aimed at the study of some physical properties of two current light-cured dental resin composites, Rok (hybrid) and Ice (nanohydrid). As filler they both contain strontium aluminosilicate particles, however, with different size distribution, 40 nm-2.5 mum for Rok and 10 nm-1 mum for Ice. The resin matrix of Rok consists of UDMA, that of Ice of UDMA, Bis-EMA and TEGDMA. Degree of conversion was determined by FT-IR analysis. The flexural strength and modulus were measured using a three-point bending set-up according to the ISO-4049 specification. Sorption, solubility and volumetric change were measured after storage of composites in water or ethanol/water (75 vol%) for 1 day, 7 or 30 days. Thermogravimetric analysis was performed in air and nitrogen atmosphere from 30 to 700 degrees C. Surface roughness and morphology of the composites was studied by atomic force microscopy (AFM). The degree of conversion was found to be 56.9% for Rok and 61.0% for Ice. The flexural strength of Rok does not significantly differ from that of Ice, while the flexural modulus of Rok is higher than that of Ice. The flexural strengths of Rok and Ice did not show any significant change after immersion in water or ethanol solution for 30 days. The flexural modulus of Rok and Ice did not show any significant change either after immersion in water for 30 days, while it decreased significantly, even after 1 day immersion, in ethanol solution. Ice sorbed a higher amount of water and ethanol solution than Rok and showed a higher volume increase. Thermogravimetric analysis showed that Rok contains about 80 wt% inorganic filler and Ice about 75 wt%.

Structural, mechanical, thermodynamic, and electronic properties of thorium hydrides from first-principles

We perform first-principles calculations of the structural, electronic, mechanical, and thermodynamic properties of thorium hydrides (ThH2 and Th4H15) based on the density functional theory with generalized gradient approximation. The equilibrium geometries, the total and partial densities of states, charge density, elastic constants, elastic moduli, Poisson's ratio, and phonon dispersion curves for these materials are systematically investigated and analyzed in comparison with experiments and previous calculations. These results show that our calculated equilibrium structural parameters are well consistent with experiments. The Th-H bonds in all thorium hydrides exhibit weak covalent character, but the ionic properties for ThH2 and Th4H15 are different due to their different hydrogen concentration. It is found that while in ThH2 about 1.5 electrons transfer from each Th atom to H, in Th4H15 the charge transfer from each Th atom is around 2.1 electrons. Our calculated phonon spectrum for the stable body-centered tetragonal phase of ThH2 accords well with experiments. In addition we show that ThH2 in the fluorite phase is mechanically and dynamically unstable.

Enhancement of conductivity and transmittance of ZnO films by post hydrogen plasma treatment

We studied the effects of hydrogen plasma treatment on the electrical and optical properties of ZnO films deposited by radio frequency magnetron sputtering. It is found that the ZnO H film is highly transparent with the average transmittance of 92% in the visible range. Both carrier concentration and mobility are increased after hydrogen plasma treatment, correspondingly, the resistivity of the ZnO H films achieves the order of 10(-3) cm. We suggest that the incorporated hydrogen not only passivates most of the defects and/or acceptors present, but also introduces shallow donor states such as the V-O-H complex and the interstitial hydrogen H-i. Moreover, the annealing data indicate that H-i is unstable in ZnO, while the V-O-H complex remains stable on the whole at 400 degrees C, and the latter diffuses out when the annealing temperature increases to 500 degrees C. These results make ZnO H more attractive for future applications as transparent conducting electrodes.

Structure and Electronic Properties of Saturated and Unsaturated Gallium Nitride Nanotubes

The atomic and electronic structures of saturated and unsaturated GaN nanotubes along the [001] direction with (100) lateral facets are studied using first-principles calculations. Atomic relaxation of nanotubes shows that appreciable distortion occurs in the unsaturated nanotubes. All the nanotubes considered, including saturated and unsaturated ones, exhibit semiconducting, with a direct band gap Surface states arisen from the 3-fold-coordinated N and Ga atoms at the lateral facets exist inside the bulklike band gap. When the nanotubes are saturated with hydrogen, these dangling bond bands are removed from the band gap, but the band gap decreases with increasing the wall thickness of the nanotubes.

Structure, stability and photoelectronic properties of transition films from amorphous to microcrystalline silicon

A series of hydrogenated silicon films near the threshold of crystallinity was prepared by very high frequency plasma enhanced chemical vapor deposition (VHF-PECVD) from a mixture of SiH4 diluted in H, The effect of hydrogen dilution ratios R-H = [H-2]/[SiH4] on microstructure of the films was investigated. Photoelectronic properties and stability of the films were studied as a function of crystalline fraction. The results show that more the crystalline volume fraction in the silicon films, the higher mobility life-time product (mu tau), better the stability and lower the photosensitivity. Those diphasic films contained 8%-31% crystalline volume fraction can gain both the fine photoelectronic properties and high stability. in the diphasic (contained 12% crystalline volume fraction) solar cell, we obtained a much lower light-induced degradation of similar to 2.9%, with a high initial efficiency of 10.01% and a stabilized efficiency of 9.72% (AM1.5, 100 mW/cm(2)). (c) 2005 Elsevier B.V. All rights reserved.

Research progress of electronic properties of self-assembled semiconductor quantum dots

Self-assembled semiconductor quantum dot is a new type of artificially designed and grown function material which exhibits quantum size effect, quantum interference effect, surface effect, quantum tunneling-Coulumb-blockade effect and nonlinear optical effect. Due to its advantages of less crystal defects and relatively simpler fabrication technology, this material may be of important value in the research of future nanoelectronic device. In the order of vertical transport, lateral transport and charge storage, recent advances in the electronic properties of this material are brefly introduced, and the problems and perspectives are analyzed.

Dielectric properties of Bi2Ti2O7 films grown on Si(100) substrate by APMOCVD

The growth of Bi2Ti2O7 films with (111) orientation on Si(100) substrate by atmospheric pressure metal-organic chemical vapor deposition(APMOCVD) technique at 480similar to550 degreesC is presented. The films were characterized by X-ray diffraction analysis, atomic force microscopy and electron diffraction. The results show high quality Bi2Ti2O7 films with smooth shinning surface. The dielectric properties and C-V characterization of the films were studied. The dielectric constant (epsilon) and loss tangent (tgdelta) were found to be 180 and 0.01 respectively. The charge storage density was 31.9fC/mum(2). The resistivity is higher than 1x10(12) Omega. .cm under the applied voltage of 5V. The Bi2Ti2O7 films are suitable to be used as a new insulating gate material in dynamic random access memory (DRAM).

Hydrogen-dependent lattice dilation in GaN

Using Raman spectroscopy we have analysed the strain status of GaN films grown on sapphire substrates by NH3 source molecular beam epitaxy (MBE). In addition to the expected compressive biaxial strain, in some cases GaN films grown on c-face sapphire substrates suffer from serious tensile biaxial strain. This anomalous behaviour has been well interpreted in terms of interstitial hydrogen-dependent lattice dilation. The hydrogen concentration in the films is measured by nuclear reaction analysis (NRA). With increasing hydrogen incorporation, the residual compressive biaxial strain is first further relaxed, and then turns into tensile strain when the hydrogen contaminant exceeds a critical concentration. The hydrogen incorporation during the growth process is found to be growth-rate dependent, and is supposed to be strain driven. We believe that the strain-induced interstitial incorporation is another way for strain relaxation during heteroepitaxy, besides the two currently well known mechanisms: formation of dislocations and growth front roughening.

Electrical properties of GaN deposited on nitridated sapphire by molecular beam epitaxy using NH3 cracked on the growing surface

We have found that GaN epilayers grown by NH3-source molecular beam epitaxy (MBE) contain hydrogen. Dependent on the hydrogen concentration, GaN on (0001) sapphire can be either under biaxially compressive strain or under biaxially tensile strain. Furthermore, we notice that background electrons in GaN increase with hydrogen incorporation. X-ray photoelectron spectroscopy (XPS) measurements of the N1s region indicate that hydrogen is bound to nitrogen. So, the microdefect Ga...H-N is an effective nitrogen vacancy in GaN, and it may be a donor partly answering for the background electrons. (C) 1999 Elsevier Science B.V. All rights reserved.

Low-temperature growth properties of Si1-xGex by disilane and solid-Ge molecular beam epitaxy

Low temperature (similar to 500 degrees C) growth properties of Si1-xGex by disilane and solid-Ge molecular beam epitaxy have been studied with an emphasis on surface morphology and growth kinetics. It is found that low-temperature growth(<500 degrees C) is in layer-by-layer mode and atomically-smooth surfaces have been obtained in as-grown samples with large Ge composition (>0.5). Ge composition dependence on substrate temperature, Ge cell temperature and disilane flow rate have been investigated. It is found that in low-temperature growth (less than or equal to 500 degrees C) and under large disilane flux, Ge composition increases with the increase of Ge flux and further increase of Ge flux leads to the saturation of Ge composition. Similar compositional dependence has been found at different growth temperatures. The saturated composition increases with the decrease of substrate temperature. The results can be explained if H desorption is assumed to occur from both Si and Ge monohydrides without diffusional exchange and the presence of Ge enhances H desorption on a Si site. (C) 1998 Elsevier Science B.V. All rights reserved.

Influence of rapid thermal annealing on the optical properties of gallium nitride grown by gas-source molecular-beam epitaxy

Raman scattering, photoluminescence (PL), and nuclear reaction analysis (MA) have been employed to investigate the effects of rapid thermal annealing (RTA) on GaN films grown on sapphire (0001) substrates by gas-source molecular-beam epitaxy, The Raman spectra showed the presence of the E-2 (high) mode of GaN and shift of this mode from 572 to 568 cm(-1) caused by annealing. The results showed that RTA has a significant effect on the strain relaxation caused by the lattice and thermal expansion misfit between the GaN epilayer and the substrate. The PL peak exhibited a blueshift in its energy position and a decrease in the full width at half maximum after annealing, indicating an improvement in the optical quality of the film. Furthermore, a green luminescence appeared after annealing and increased in intensity with increasing annealing time. This effect was attributed to H concentration variation in the GaN film, which was measured by NRA. A high H concentration exists in as-grown GaN, which can neutralize the deep level, and the H-bonded complex dissociates during RTA, This leads to the appearance of a luminescent peak in the PL spectrum. (C) 1998 American Institute of Physics.

High-output very small aperture laser and its near-field distribution properties - art. no. 60200L

A Very-Small-Aperture Laser with a 250 X 500 nm(2) aperture has been created on a 650nm edge emitting LD. The highest far-field output power is 1.9mW and the power per unit emission area is about 15 MW/mu m(2). The special fabrication process and high output power mechanism are demonstrated respectively. The near-field distribution properties are also analyzed theoretically and experimentally.

Polarization holographic high-density optical data storage in bacteriorhodopsin film

Optical films containing the genetic variant bacteriorhodopsin BR-D96N were experimentally studied in view of their properties as media for holographic storage. Different polarization recording schemes were tested and compared. The influence of the polarization states of the recording and readout waves on the retrieved diffractive image's intensity and its signal-to-noise ratio were analyzed. The experimental results showed that, compared with the other tested polarization relations during holographic recording, the discrimination between the polarization states of diffracted and scattered light is optimized with orthogonal circular polarization of the recording beams, and thus a high signal-to-noise ratio and a high diffraction efficiency are obtained. Using a He-Ne laser (633 nm, 3 mW) for recording and readout, a spatial light modulator as a data input element, and a 2D-CCD sensor for data capture in a Fourier-transform holographic setup, a storage density of 2 x 10(8) bits/cm(2) was obtained on a 60 x 42 mu m(2) area in the BR-D96N film. The readout of encoded binary data was possible with a zero-error rate at the tested storage density. (c) 2005 Optical Society of America.

Synthesis and application on parallel image storage of bisfurylfulgide

A bisfurylfulgide, E, E-3,4-bis[1-(2,5-dimethyl-3-furyl)ethylidene]-3,4-dihydrofuran-2,5-dione, is synthesized by Stobbe condensation reaction. The molecular structure of target compound is confirmed by single crystal X-ray crystallography analysis. It shows that the distances between two possible reaction sites of molecule are 0.3394 and 0.3406 nm respectively, which is favorable to photocyclization. The photochromic properties of this compound in different solvents are investigated, and the result shows that the compound exhibits excellent photochromic behavior. The primary result of applied research on parallel image storage is also presented.