predicting upgrade project defects based on enhancement requirements: an empirical study

Chinese Acad Sci, ISCAS Lab Internet Software Technologies

Deformation Defects in Nanocrystalline Nickel

Defects induced by plastic deformation in electrodeposited, fully dense nanocrystalline (nc) Ni with an average grain size of 25 nm have been characterized by means of high resolution transmission electron microscopy. The nc Ni was deformed under uniaxial tension at liquid-nitrogen temperature. Trapped full dislocations were observed in the grain interior and near the grain boundaries. In particular, these dislocations preferred to exist in the form of dipoles. Deformation twinning was confirmed in nc grains and the most proficient mechanism is the heterogeneous nucleation via emission of partial dislocations from the grain boundaries.

Flow pattern in chandler loop - the artificial thrombus formation

In this paper a hydrodynamic approach is used to analyse carefully the flow field inChandler loop--the artificial thrombus formation. The results obtained show that near thelower meniscus where the thrombus is formed, there is a back flow accompanied with asecondary flow and its mainflow is toward the meniscus, thus providing a favourable condi-tion for corpuscle aggregation. Our finding is valuable for studying the mechanism ofthrombus formation in artificial organ and in vivo.

Atomistic Simulation On Size-Dependent Yield Strength And Defects Evolution Of Metal Nanowires

A simple derivation based on continuum mechanics is given, which shows the surface stress is critical for yield strength at ultra-small scales. Molecular dynamics (MD) simulations with modified embedded atom method (MEAM) are employed to investigate the mechanical behaviors of single-crystalline metal nanowires under tensile loading. The calculated yield strengths increasing with the decrease of the cross-sectional area of the nanowires are in accordance with the theoretical prediction. Reorientation induced by stacking faults is observed at the nanowire edge. In addition. the mechanism of yielding is discussed in details based on the snapshots of defects evolution. The nanowires in different crystallographic orientations behave differently in stretching deformation. This study on the plastic properties of metal nanowires will be helpful to further understanding of the mechanical properties of nanomaterials. (C) 2009 Elsevier B.V. All rights reserved.

Generating artificial homologous proteins according to the representative family character in molecular mechanics properties - an attempt in validating an underlying rule of protein evolution

The molecular mechanics property is the foundation of many characters of proteins. Based on intramolecular hydrophobic force network, the representative family character underlying a protein’s mechanics property is described by a simple two-letter scheme. The tendency of a sequence to become a member of a protein family is scored according to this mathematical representation. Remote homologs of the WW-domain family could be easily designed using such a mechanistic signature of protein homology. Experimental validation showed that nearly all artificial homologs have the representative folding and bioactivity of their assigned family. Since the molecular mechanics property is the only consideration in this study, the results indicate its possible role in the generation of new members of a protein family during evolution.

Energy transfer between silicon-oxygen-related defects and Yb3+ in transparent glass ceramics containing Ba2TiSi2O 8 nanocrystals

We report on the conversion of near-ultraviolet radiation of 250-350 nm into near-infrared emission of 970-1100 nm in Yb3+-doped transparent glass ceramics containing Ba2TiSi2O8 nanocrystals due to the energy transfer from the silicon-oxygen-related defects to Yb3+ ions. Efficient Yb3+ emission (F-2(5/2)-> F-2(7/2)) was detected under the excitation of defects absorption at 314 nm. The occurrence of energy transfer is proven by both steady state and time-resolved emission spectra, respectively, at 15 K. The Yb2O3 concentration dependent energy transfer efficiency has also been evaluated, and the maximum value is 65% for 8 mol % Yb2O3 doped glass ceramic. These materials are promising for the enhancement of photovoltaic conversion efficiency of silicon solar cells via spectra modification.

Defects in U3+: CaF2 single crystals grown under different conditions by the temperature gradient technique

Defects in as-grown U3+ : CaF2 crystals grown with or without PbF2 as an oxygen scavenger were studied using Raman spectra, thermoluminescence glow curves, and additional absorption (AA) spectra induced by heating and gamma-irradiation. The effects of heating and irradiation on as-grown U3+: CaF2 crystals are similar, accompanied by the elimination of H-type centers and production of F-type centers. U3+ is demonstrated to act as an electron donor in the CaF2 lattice, which is oxidized to the tetravalent form by thermal activation or gamma-irradiation. In the absence of PbF(2)as an oxygen scavenger, the as-grown U3+:CaF2 crystals contain many more lattice defects in terms of both quantity and type, due to the presence of O2- impurities. Some of these defects can recombine with each other in the process of heating and gamma-irradiation. (c) 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Defects in LPE-grown beta-barium borate (beta-BaB2O4) thin films

Morphological defects in beta-barium borate (beta-BBO) thin films grown on Sr2+ -doped alpha-BBO substrates by liquid phase epitaxy (LPE) technique were studied by scanning electron micrograph (SEM), atomic force microscopy (AFM) and optical spectroscopy. The present results indicate that the main defects exit in beta-BBO thin films are microcracks and hollow structure. The formation of microcrack is due to the lattice mismatch and the difference of thermal expansion coefficients between substrate and film. The hollow structure might be caused during the combination of islands, which formed in the initial stage. (C) 2006 Elsevier GmbH. All rights reserved.

Computer simulation of intrinsic defects in YAlO3 single crystal

National Nature Science Foundation of China (Grant No. 60607015)

Extended bidirectional reflectance distribution function for polarized light scattering from subsurface defects under a smooth surface

By introducing the scattering probability of a subsurface defect (SSD) and statistical distribution functions of SSD radius, refractive index, and position, we derive an extended bidirectional reflectance distribution function (BRDF) from the Jones scattering matrix. This function is applicable to the calculation for comparison with measurement of polarized light-scattering resulting from a SSD. A numerical calculation of the extended BRDF for the case of p-polarized incident light was performed by means of the Monte Carlo method. Our numerical results indicate that the extended BRDF strongly depends on the light incidence angle, the light scattering angle, and the out-of-plane azimuth angle. We observe a 180 degrees symmetry with respect to the azimuth angle. We further investigate the influence of the SSD density, the substrate refractive index, and the statistical distributions of the SSD radius and refractive index on the extended BRDF. For transparent substrates, we also find the dependence of the extended BRDF on the SSD positions. (c) 2006 Optical Society of America.

Theoretical analysis of optical properties of dielectric coatings dependence on substrate subsurface defects

A model for refractive index of stratified dielectric substrate was put forward according to theories of inhomogeneous coatings. The substrate was divided into surface layer, subsurface layer and bulk layer along the normal direction of its surface. Both the surface layer (separated into N-1 sublayers of uniform thickness) and subsurface layer (separated into N-2 sublayers of uniform thickness), whose refractive indices have different statistical distributions, are equivalent to inhomogeneous coatings, respectively. And theoretical deduction was carried Out by employing characteristic matrix method of optical coatings. An example of mathematical calculation for optical properties of dielectric coatings had been presented. The computing results indicate that substrate subsurface defects can bring about additional bulk scattering and change propagation characteristic in thin film and Substrate. Therefore, reflectance, reflective phase shift and phase difference of an assembly of coatings and substrate deviate from ideal conditions. The model will provide some beneficial theory directions for improving optical properties of dielectric coatings via substrate surface modification. (c) 2005 Elsevier B.V. All rights reserved.