Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding.

We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidized Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and of a potential originally developed to simulate SiO(2) polymorphs. The potential parameters are chosen to reproduce the structure, charge distribution, tensile surface stress, and interactions with single water molecules of a natively oxidized Si surface model previously obtained by means of accurate density functional theory simulations. We have applied the potential to the case of hydrophilic silicon wafer bonding at room temperature, revealing maximum room temperature work of adhesion values for natively oxidized and amorphous silica surfaces of 97 and 90 mJm(2), respectively, at a water adsorption coverage of approximately 1 ML. The difference arises from the stronger interaction of the natively oxidized surface with liquid water, resulting in a higher heat of immersion (203 vs 166 mJm(2)), and may be explained in terms of the more pronounced water structuring close to the surface in alternating layers of larger and smaller densities with respect to the liquid bulk. The computed force-displacement bonding curves may be a useful input for cohesive zone models where both the topographic details of the surfaces and the dependence of the attractive force on the initial surface separation and wetting can be taken into account.

Communication: energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water.

We show the feasibility of using quantum Monte Carlo (QMC) to compute benchmark energies for configuration samples of thermal-equilibrium water clusters and the bulk liquid containing up to 64 molecules. Evidence that the accuracy of these benchmarks approaches that of basis-set converged coupled-cluster calculations is noted. We illustrate the usefulness of the benchmarks by using them to analyze the errors of the popular BLYP approximation of density functional theory (DFT). The results indicate the possibility of using QMC as a routine tool for analyzing DFT errors for non-covalent bonding in many types of condensed-phase molecular system.

Formation of metastable liquid catalyst during subeutectic growth of germanium nanowires.

Lattice-resolved, video-rate environmental transmission electron microscopy shows the formation of a liquid Au-Ge layer on sub-30-nm Au catalyst crystals and the transition of this two-phase Au-Ge/Au coexistence to a completely liquid Au-Ge droplet during isothermal digermane exposure at temperatures far below the bulk Au-Ge eutectic temperature. Upon Ge crystal nucleation and subsequent Ge nanowire growth, the catalyst either recrystallizes or remains liquid, apparently stabilized by the Ge supersaturation. We argue that there is a large energy barrier to nucleate diamond-cubic Ge, but not to nucleate the Au-Ge liquid. As a result, the system follows the more kinetically accessible path, forming a liquid even at 240 degrees C, although there is no liquid along the most thermodynamically favorable path below 360 degrees C.

Development of non-weak link bulk YBCO grain boundaries for high magnetic field eegimeering applications

A non-weak link joining technique has been developed for YBCO pseudo-crystals fabricated by seeded peritectic solidification based on the formation of a liquid phase which segregates from the platelet boundaries at temperatures above = 920 °C. Electrical and magnetic measurements on these boundaries suggest that their irreversibility field can be as high as 7 T at 77 K in fully oxygenated pseudo-crystals joined along their crystallographic ab-planes which is comparable to the irreversibility behaviour of the adjacent YBCO grains. © 1999 IEEE.

Single domain YBCO/Ag bulk superconductors fabricated by seeded infiltration and growth

We have applied the seeded infiltration and growth (IG) technique to the processing of samples containing Ag in an attempt to fabricate Ag-doped Y-Ba-Cu-O (YBCO) bulk superconductors with enhanced mechanical properties. The IG technique has been used successfully to grow bulk Ag-doped YBCO superconductors of up to 25 mm in diameter in the form of single grains. The distribution of Ag in the parent Y-123 matrix fabricated by the IG technique is observed to be at least as uniform as that in samples grown by conventional top seeded melt growth (TSMG). Fine Y-211 particles were observed to be embedded within the Y-123 matrix for the IG processed samples, leading to a high critical current density, Jc, of over 70 kA/cm2 at 77.3 K in self-field. The distribution of Y-211 in the IG sample microstructure, however, is inhomogeneous, which leads to a variation in the spatial distribution of Jc throughout the bulk matrix. A maximum-trapped field of around 0.43 T at 1.2 mm above the sample surface (i.e. including 0.7 mm for the sensor mould thickness) is observed at liquid nitrogen temperature, despite the relatively small grain size of the sample (20 mm diameter × 7 mm thickness). © 2008 IOP Publishing Ltd.

Increasing the flexoelastic ratio of liquid crystals using highly fluorinated ester-linked bimesogens.

We present experimental results on the bulk flexoelectric coefficients e and effective elastic coefficients K of non-symmetric bimesogenic liquid crystals when the number of terminal and lateral fluoro substituents is increased. These coefficients are of importance because the flexoelastic ratio e/K governs the magnitude of flexoelectro-optic switching in chiral nematic liquid crystals. The study is carried out for two different types of linkage in the flexible spacer chain that connects the separate mesogenic units: these are either an ether or an ester unit. It is found that increasing the number of fluorine atoms on the mesogenic units typically leads to a small increase in e and a decrease in K, resulting in an enhancement of e/K. The most dramatic increase in e/K, however, is observed when the linking group is changed from ether to ester units, which can largely be attributed to an increase in e. Increasing the number of fluorine atoms does, however, increase the viscoelastic ratio and therefore leads to a concomitant increase in the response time. This is observed for both types of linkage, although the ester-linked compounds exhibit smaller viscoelastic ratios compared with their ether-linked counterparts. Highly fluorinated ester-linked compounds are also found to exhibit lower transition temperatures and dielectric anisotropies. As a result, these compounds are promising materials for use in electro-optic devices.

Magneto-Optical Imaging of Superconductors for Liquid Hydrogen Applications

Restricted deposits of fossil fuels and ecological problems created by their extensive use require a transition to renewable energy resources and clean fuel free from emissions of CO2. This fuel is likely to be liquid hydrogen. An important feature of liquid hydrogen is that it allows wide use of superconductivity. Superconductors provide compactness, high efficiency, savings in energy and a range of new applications not possible with other materials. The benefits of superconductivity justify use of low temperatures and facilitate development of fossil-free energy economy. The widespread use of superconductors requires a simple and reliable technique to monitor their properties. Magneto-optical imaging (MOI) is currently the only direct technique allowing visualization of the superconducting properties of materials. We report the application of this technique to key superconducting materials suitable for the hydrogen economy: MgB2 and high temperature superconductors (HTS) in bulk and thin-film form. The study shows that the MOI technique is well suited to the study of these materials. It demonstrates the advantage of HTS at liquid hydrogen temperatures and emphasizes the benefits of MgB2, in particular. © 2012 Springer Science+Business Media New York.

Magnetization of bulk superconductors using thermally actuated magnetic waves

A novel technique is proposed to magnetize bulk superconductors, which has the potential to build up strong superconducting magnets. Instead of conventionally using strong magnetic pulses, periodical magnetic waves with strength as low as that of rare-earth magnets are applied. These magnetic waves travel from the periphery to the center of a bulk superconductor and become trapped little by little. In this way, bulk superconductors can gradually be magnetized. To generate these magnetic waves, a thermally actuated magnet was developed, which is constructed by a heating/cooling switch system, a rare-earth bulk magnet, and a Gadolinium (Gd) bulk. The heating/cooling switch system controls the temperature of the Gd bulk, which, along with the rare-earth magnet underneath, can transform thermal signals into magnetic waves. The modeling results of the thermally actuated magnet show that periodical magnetic waves can effectively be generated by applying heating and cooling pulses in turn. A YBCO bulk was tested in liquid nitrogen under the magnetic waves, and a notable accumulation of magnetic flux density was observed. © 2006 IEEE.

High speed liquid crystal over silicon display based on the flexoelectro-optic effect.

One of the key technologies to evolve in the displays market in recent years is liquid crystal over silicon (LCOS) microdisplays. Traditional LCOS devices and applications such as rear projection televisions, have been based on intensity modulation electro-optical effects, however, recent developments have shown that multi-level phase modulation from these devices is extremely sought after for applications such as holographic projectors, optical correlators and adaptive optics. Here, we propose alternative device geometry based on the flexoelectric-optic effect in a chiral nematic liquid crystal. This device is capable of delivering a multilevel phase shift at response times less than 100 microsec which has been verified by phase shift interferometry using an LCOS test device. The flexoelectric on silicon device, due to its remarkable characteristics, enables the next generation of holographic devices to be realized.