A surface energy model and application to mechanical behavior analysis of single crystals at sub-micron scale

Size effects of mechanical behaviors of materials are referred to the variation of the mechanical behavior due to the sample sizes changing from macroscale to micro-/nanoscales. At the micro-/nanoscale, since sample has a relatively high specific surface area (SSA) (ratio of surface area to volume), the surface although it is often neglected at the macroscale, becomes prominent in governing the energy effect, although it is often neglected at the macroscale, becomes prominent in governing the mechanical behavior. In the present research, a continuum model considering the surface energy effect is developed through introducing the surface energy to total potential energy. Simultaneously, a corresponding finite element method is developed. The model is used to analyze the axial equilibrium strain problem for a Cu nanowire at the external loading-free state. As another application of the model, from dimensional analysis, the size effects of uniform compression tests on the microscale cylinder specimens for Ni and Au single crystals are analyzed and compared with experiments in literatures. (C) 2009 Elsevier B.V. All rights reserved.

Catches per unit of effort of bigeye tuna: a new analysis with regression trees and simulated annealing

ENGLISH: We analyzed catches per unit of effort (CPUE) from the Japanese longline fishery for bigeye tuna (Thunnus obesus) in the central and eastern Pacific Ocean (EPO) with regression tree methods. Regression trees have not previously been used to estimate time series of abundance indices fronl CPUE data. The "optimally sized" tree had 139 parameters; year, month, latitude, and longitude interacted to affect bigeye CPUE. The trend in tree-based abundance indices for the EPO was similar to trends estimated from a generalized linear model and fronl an empirical model that combines oceanographic data with information on the distribution of fish relative to environmental conditions. The regression tree was more parsimonious and would be easier to implement than the other two nl0dels, but the tree provided no information about the nlechanisms that caused bigeye CPUEs to vary in time and space. Bigeye CPUEs increased sharply during the mid-1980's and were more variable at the northern and southern edges of the fishing grounds. Both of these results can be explained by changes in actual abundance and changes in catchability. Results from a regression tree that was fitted to a subset of the data indicated that, in the EPO, bigeye are about equally catchable with regular and deep longlines. This is not consistent with observations that bigeye are more abundant at depth and indicates that classification by gear type (regular or deep longline) may not provide a good measure of capture depth. Asimulated annealing algorithm was used to summarize the tree-based results by partitioning the fishing grounds into regions where trends in bigeye CPUE were similar. Simulated annealing can be useful for designing spatial strata in future sampling programs. SPANISH: Analizamos la captura por unidad de esfuerzo (CPUE) de la pesquería palangrera japonesa de atún patudo (Thunnus obesus) en el Océano Pacifico oriental (OPO) y central con métodos de árbol de regresión. Hasta ahora no se han usado árboles de regresión para estimar series de tiempo de índices de abundancia a partir de datos de CPUE. EI árbol de "tamaño optimo" tuvo 139 parámetros; ano, mes, latitud, y longitud interactuaron para afectar la CPUE de patudo. La tendencia en los índices de abundancia basados en árboles para el OPO fue similar a las tendencias estimadas con un modelo lineal generalizado y con un modelo empírico que combina datos oceanográficos con información sobre la distribución de los peces en relación con las condiciones ambientales. EI árbol de regresión fue mas parsimonioso y seria mas fácil de utilizar que los dos otros modelos, pero no proporciono información sobre los mecanismos que causaron que las CPUE de patudo valiaran en el tiempo y en el espacio. Las CPUE de patudo aumentaron notablemente a mediados de los anos 80 y fueron mas variables en los extremos norte y sur de la zona de pesca. Estos dos resultados pueden ser explicados por cambios en la abundancia real y cambios en la capturabilidad. Los resultados de un arbal de regresión ajustado a un subconjunto de los datos indican que, en el OPO, el patudo es igualmente capturable con palangres regulares y profundos. Esto no es consistente con observaciones de que el patudo abunda mas a profundidad e indica que clasificación por tipo de arte (palangre regular 0 profundo) podría no ser una buena medida de la profundidad de captura. Se uso un algoritmo de templado simulado para resumir los resultados basados en el árbol clasificando las zonas de pesca en zonas con tendencias similares en la CPUE de patudo. El templado simulado podría ser útil para diseñar estratos espaciales en programas futuros de muestreo. (PDF contains 45 pages.)

Adaptive Scalable SVD Unit for Fast Processing of Large LSE Problems

Singular Value Decomposition (SVD) is a key linear algebraic operation in many scientific and engineering applications. In particular, many computational intelligence systems rely on machine learning methods involving high dimensionality datasets that have to be fast processed for real-time adaptability. In this paper we describe a practical FPGA (Field Programmable Gate Array) implementation of a SVD processor for accelerating the solution of large LSE problems. The design approach has been comprehensive, from the algorithmic refinement to the numerical analysis to the customization for an efficient hardware realization. The processing scheme rests on an adaptive vector rotation evaluator for error regularization that enhances convergence speed with no penalty on the solution accuracy. The proposed architecture, which follows a data transfer scheme, is scalable and based on the interconnection of simple rotations units, which allows for a trade-off between occupied area and processing acceleration in the final implementation. This permits the SVD processor to be implemented both on low-cost and highend FPGAs, according to the final application requirements.

Decision support systems optimising effluent release in sub tropical estuarine environment - An Australian case study

Gold Coast Water is responsible for the management of the water and wastewater assets of the City of the Gold Coast on Australia’s east coast. Treated wastewater is released at the Gold Coast Seaway on an outgoing tide in order for the plume to be dispersed before the tide changes and renters the Broadwater estuary. Rapid population growth over the past decade has placed increasing demands on the receiving waters for the release of the City’s effluent. The Seaway SmartRelease Project is designed to optimise the release of the effluent from the City’s main wastewater treatment plant in order to minimise the impact of the estuarine water quality and maximise the cost efficiency of pumping. In order to do this an optimisation study that involves water quality monitoring, numerical modelling and a web based decision support system was conducted. An intensive monitoring campaign provided information on water levels, currents, winds, waves, nutrients and bacterial levels within the Broadwater. These data were then used to calibrate and verify numerical models using the MIKE by DHI suite of software. The decision support system then collects continually measured data such as water levels, interacts with the WWTP SCADA system, runs the models in forecast mode and provides the optimal time window to release the required amount of effluent from the WWTP. The City’s increasing population means that the length of time available for releasing the water with minimal impact may be exceeded within 5 years. Optimising the release of the treated water through monitoring, modelling and a decision support system has been an effective way of demonstrating the limited environmental impact of the expected short term increase in effluent disposal procedures. (PDF contains 5 pages)

I. Rigid body penetration into brittle materials. II. Phase change effect on shock wave propagation

Part I.

We have developed a technique for measuring the depth time history of rigid body penetration into brittle materials (hard rocks and concretes) under a deceleration of ~ 10⁵ g. The technique includes bar-coded projectile, sabot-projectile separation, detection and recording systems. Because the technique can give very dense data on penetration depth time history, penetration velocity can be deduced. Error analysis shows that the technique has a small intrinsic error of ~ 3-4 % in time during penetration, and 0.3 to 0.7 mm in penetration depth. A series of 4140 steel projectile penetration into G-mixture mortar targets have been conducted using the Caltech 40 mm gas/ powder gun in the velocity range of 100 to 500 m/s.

We report, for the first time, the whole depth-time history of rigid body penetration into brittle materials (the G-mixture mortar) under 10⁵ g deceleration. Based on the experimental results, including penetration depth time history, damage of recovered target and projectile materials and theoretical analysis, we find:

1. Target materials are damaged via compacting in the region in front of a projectile and via brittle radial and lateral crack propagation in the region surrounding the penetration path. The results suggest that expected cracks in front of penetrators may be stopped by a comminuted region that is induced by wave propagation. Aggregate erosion on the projectile lateral surface is < 20% of the final penetration depth. This result suggests that the effect of lateral friction on the penetration process can be ignored.

2. Final penetration depth, P_max, is linearly scaled with initial projectile energy per unit cross-section area, e_s , when targets are intact after impact. Based on the experimental data on the mortar targets, the relation is P_max(mm) 1.15e_s (J/mm² ) + 16.39.

3. Estimation of the energy needed to create an unit penetration volume suggests that the average pressure acting on the target material during penetration is ~ 10 to 20 times higher than the unconfined strength of target materials under quasi-static loading, and 3 to 4 times higher than the possible highest pressure due to friction and material strength and its rate dependence. In addition, the experimental data show that the interaction between cracks and the target free surface significantly affects the penetration process.

4. Based on the fact that the penetration duration, t_max, increases slowly with e_s and does not depend on projectile radius approximately, the dependence of t_max on projectile length is suggested to be described by t_max(μs) = 2.08e_s (J/mm² + 349.0 x m/(πR²), in which m is the projectile mass in grams and R is the projectile radius in mm. The prediction from this relation is in reasonable agreement with the experimental data for different projectile lengths.

5. Deduced penetration velocity time histories suggest that whole penetration history is divided into three stages: (1) An initial stage in which the projectile velocity change is small due to very small contact area between the projectile and target materials; (2) A steady penetration stage in which projectile velocity continues to decrease smoothly; (3) A penetration stop stage in which projectile deceleration jumps up when velocities are close to a critical value of ~ 35 m/s.

6. Deduced averaged deceleration, a, in the steady penetration stage for projectiles with same dimensions is found to be a(g) = 192.4v + 1.89 x 10⁴, where v is initial projectile velocity in m/s. The average pressure acting on target materials during penetration is estimated to be very comparable to shock wave pressure.

7. A similarity of penetration process is found to be described by a relation between normalized penetration depth, P/P_max, and normalized penetration time, t/t_max, as P/P_max = f(t/t_max, where f is a function of t/t_max. After f(t/t_max is determined using experimental data for projectiles with 150 mm length, the penetration depth time history for projectiles with 100 mm length predicted by this relation is in good agreement with experimental data. This similarity also predicts that average deceleration increases with decreasing projectile length, that is verified by the experimental data.

8. Based on the penetration process analysis and the present data, a first principle model for rigid body penetration is suggested. The model incorporates the models for contact area between projectile and target materials, friction coefficient, penetration stop criterion, and normal stress on the projectile surface. The most important assumptions used in the model are: (1) The penetration process can be treated as a series of impact events, therefore, pressure normal to projectile surface is estimated using the Hugoniot relation of target material; (2) The necessary condition for penetration is that the pressure acting on target materials is not lower than the Hugoniot elastic limit; (3) The friction force on projectile lateral surface can be ignored due to cavitation during penetration. All the parameters involved in the model are determined based on independent experimental data. The penetration depth time histories predicted from the model are in good agreement with the experimental data.

9. Based on planar impact and previous quasi-static experimental data, the strain rate dependence of the mortar compressive strength is described by σ_f/σ⁰_f = exp(0.0905(log(έ/έ_0) ^1.14, in the strain rate range of 10^-7/s to 10³/s (σ⁰_f and έ are reference compressive strength and strain rate, respectively). The non-dispersive Hugoniot elastic wave in the G-mixture has an amplitude of ~ 0.14 GPa and a velocity of ~ 4.3 km/s.

Part II.

Stress wave profiles in vitreous GeO₂ were measured using piezoresistance gauges in the pressure range of 5 to 18 GPa under planar plate and spherical projectile impact. Experimental data show that the response of vitreous GeO₂ to planar shock loading can be divided into three stages: (1) A ramp elastic precursor has peak amplitude of 4 GPa and peak particle velocity of 333 m/s. Wave velocity decreases from initial longitudinal elastic wave velocity of 3.5 km/s to 2.9 km/s at 4 GPa; (2) A ramp wave with amplitude of 2.11 GPa follows the precursor when peak loading pressure is 8.4 GPa. Wave velocity drops to the value below bulk wave velocity in this stage; (3) A shock wave achieving final shock state forms when peak pressure is > 6 GPa. The Hugoniot relation is D = 0.917 + 1.711u (km/s) using present data and the data of Jackson and Ahrens [1979] when shock wave pressure is between 6 and 40 GPa for ρ₀ = 3.655 gj cm³ . Based on the present data, the phase change from 4-fold to 6-fold coordination of Ge⁺⁴ with O^-2 in vitreous GeO₂ occurs in the pressure range of 4 to 15 ± 1 GPa under planar shock loading. Comparison of the shock loading data for fused SiO₂ to that on vitreous GeO₂ demonstrates that transformation to the rutile structure in both media are similar. The Hugoniots of vitreous GeO₂ and fused SiO₂ are found to coincide approximately if pressure in fused SiO₂ is scaled by the ratio of fused SiO₂to vitreous GeO₂ density. This result, as well as the same structure, provides the basis for considering vitreous Ge0₂ as an analogous material to fused SiO₂ under shock loading. Experimental results from the spherical projectile impact demonstrate: (1) The supported elastic shock in fused SiO₂ decays less rapidly than a linear elastic wave when elastic wave stress amplitude is higher than 4 GPa. The supported elastic shock in vitreous GeO₂ decays faster than a linear elastic wave; (2) In vitreous GeO₂ , unsupported shock waves decays with peak pressure in the phase transition range (4-15 GPa) with propagation distance, x, as α 1/x^-3.35 , close to the prediction of Chen et al. [1998]. Based on a simple analysis on spherical wave propagation, we find that the different decay rates of a spherical elastic wave in fused SiO₂ and vitreous GeO₂ is predictable on the base of the compressibility variation with stress under one-dimensional strain condition in the two materials.

An assessment of water quality in integrated poultry-cum-fish reservoir, NIFFR New-Bussa in reference to maximizing the water resources potentials of Nigeria for sustainable aquaculture under the sub-theme "Fish production and the environment"

In this reservoir, the parameters being assessed are very important in the aspect of fish culture. These parameters are: physical parameters which includes temperature (O), Transparency (M).Chemical parameters include: Dissolve oxygen (mg/l) pH concentration and the Biological Parameters which include phytoplankton and zooplankton. The phytoplankton and zooplankton identification and estimation were carried out in the NIFFR Limnology Laboratory, (Green House), New Bussa. Each identified zooplankton and phytoplankton species was placed according to its major group e.g. zooplankton was grouped into three families, Roifera, Cladocera and Copepods. During this study period it was observed that copepods have the highest total number of zooplankton both beside the poultry and monk (station 'A'&'B'). Water temperature of station 'A' (beside the poultry house) ranges from 27 C-29, 5 c also same station 'B' (near the monk). Dissolve oxygen station 'A' range from 6.30mg/l-7.40mg/l while that of station 'B' ranges from 6.20mg/7.50mg/l, turbidity reading of station A'ranges from 0.19m-0.3m while station 'B' ranges from 0.22m-0.37m. The last parameter, which is pH concentration, in both stations 8.2 was observed this is an indication that the pH was constant. According to some literature review all the water parameter figures obtained were good for fish culture

Spectral analysis and control to obtain sub-5 fs pulses by femtosecond filamentation

A spectral-filter method is numerically demonstrated to obtain sub-5 fs pulses by using femtosecond filamentation in fused silica. Instead of employing spectral phase compensation, by properly employing a high-pass filter to select the broadened high-frequency spectra that are located almost in phase in the tailing edge of the self-compressed pulses owing to self-steepening, as short as single-cycle pulses can be obtained. For instance, for an input pulse with a duration of 50 fs and energy 2.2 mu J, the minimum pulse duration can reach to similar to 4 fs (about 1.5 cycles) by applying a proper spectral filter. (C) 2008 Optical Society of America

Bis(thiophenolate)pyridine pincer ligands and trivalent zirconocene complexes relevant to early transition metal polymerization catalysts

Two major topics are covered: the first chapter is focused on the development of post-metallocene complexes for propylene polymerization. The second and third chapters investigate the consequences of diisobutylaluminum hydride (HAlⁱBu₂) additives in zirconocene based polymerization systems.

The synthesis, structure, and solution behavior of early metal complexes with a new tridentate LX₂ type ligand, bis(thiophenolate)pyridine ((SNS) = (2-C₆H₄S)₂-2,6-C₅H₃N) are investigated. SNS complexes of Ti, Zr, and Ta having dialkylamido coligands were synthesized and structurally characterized. The zirconium complex, (SNS)Zr(NMe₂)₂, displays C₂ symmetry in the solid state. Solid-state structures of tantalum complexes (SNS)Ta(NMe₂)₃ and (SNS)TaCl(NEt₂)₂ also display pronounced C₂ twisting of the SNS ligand. 1D and 2D NMR experiments show that (SNS)Ta(NMe₂)₃ is fluxional with rotation about the Ta N(amide) bonds occurring on the NMR timescale. The fluxional behavior of (SNS)TaCl(NEt₂)₂ in solution was also studied by variable temperature ¹H NMR. Observation of separate signals for the diastereotopic protons of the methylene unit of the diethylamide indicates that the complex remains locked on the NMR timescale in one diastereomeric conformation at temperatures below -50 °C.

Reduction of Zr(IV) metallocenium cations with sodium amalgam (NaHg) produces EPR signals assignable to Zr(III) metallocene complexes. Thus, chloro-bridged heterobinuclear ansa-zirconocenium cation [((SBI))Zr(μ-Cl)₂AlMe₂]⁺B(C₆F₅)_4¯ (SBI = rac-dimethylsilylbis(1-indenyl)), gives rise to an EPR signal assignable to the complex (SBI)Zr^III(μ-Cl)₂AlMe₂, while (SBI)Zr^III-Me and (SBI)Zr^III(-H)2AlⁱBu₂ are formed by reduction of [(SBI)Zr(μ-Me)₂AlMe₂]⁺B(C₆F₅)_4¯ and [(SBI)Zr(μ-H)₃(AlⁱBu₂)₂]⁺B(C₆F₅)4¯, respectively. These products are also formed, along with (SBI)Zr^III-ⁱBu and [(SBI)Zr^III]⁺ AlR4¯ when (SBI)ZrMe₂ reacts with HAlⁱBu₂, eliminating isobutane en route to the Zr(III) complex. Studies concerning the interconversion reactions between these and other (SBI)Zr(III) complexes and reaction mechanisms involved in their formation are also reported.

The addition of HAlⁱBu₂ to precatalyst [(SBI)Zr(µ-H)₃(AlⁱBu₂)₂]⁺ significantly slows the polymerization of propylene and changes the kinetics of polymerization from 1st to 2nd order with respect to propylene. This is likely due to competitive inhibition by HAlⁱBu₂. When the same reaction is investigated using [(ⁿBuCp)₂Zr(μ-H)₃(AlⁱBu₂)₂]⁺, hydroalumination between propylene and HAlⁱBu₂ is observed instead of propylene polymerization.

Sub-half-wavelength atom localization via two standing-wave fields

We propose a scheme for sub-half-wavelength atom localization in a four-level ladder-type atomic system, which is coupled by two classical standing-wave fields. We find that one of the standing-wave fields can help in enhancing the localization precision, and the other is of crucial importance in increasing the detecting probability and leading sub-half-wavelength localization.

Single sub-100 attosecond pulse generation in a two-colour time-gating laser field

We theoretically propose a method of generating a single sub-100 attosecond (as) pulse with a two-colour time-gating laser field. The field is synthesized by an 8 fs/800 nm (three optical cycles) pulse and a 24 fs/2400 nm (three optical cycles) pulse with an optimal time delay between them. In our simulation, we obtain a supercontinuum with an extremely broad spectrum of 150 eV and generate an isolated attosecond pulse with 96 as pulse duration without any dispersion compensation.

Chain-forming zintl antimonides as novel thermoelectric materials

Zintl phases, a subset of intermetallic compounds characterized by covalently-bonded "sub-structures," surrounded by highly electropositive cations, exhibit precisely the characteristics desired for thermoelectric applications. The requirement that Zintl compounds satisfy the valence of anions through the formation of covalent substructures leads to many unique, complex crystal structures. Such complexity often leads to exceptionally low lattice thermal conductivity due to the containment of heat in low velocity optical modes in the phonon dispersion. To date, excellent thermoelectric properties have been demonstrated in several Zintl compounds. However, compared with the large number of known Zintl phases, very few have been investigated as thermoelectric materials.

From this pool of uninvestigated compounds, we selected a class of Zintl antimonides that share a common structural motif: anionic moieties resembling infinite chains of linked MSb₄ tetrahedra, where $M$ is a triel element. The compounds discussed in this thesis (A₅M₂Sb₆ and A₃MSb₃, where A = Ca or Sr and M = Al, Ga and In) crystallize as four distinct, but closely related "chain-forming" structure types. This thesis describes the thermoelectric characterization and optimization of these phases, and explores the influence of their chemistry and structure on the thermal and electronic transport properties. Due to their large unit cells, each compound exhibits exceptionally low lattice thermal conductivity (0.4 - 0.6 W/mK at 1000 K), approaching the predicted glassy minimum at high temperatures. A combination of Density Functional calculations and classical transport models were used to explain the experimentally observed electronic transport properties of each compound. Consistent with the Zintl electron counting formalism, A₅M₂Sb₆ and A₃MSb₃ phases were found to have filled valence bands and exhibit intrinsic electronic properties. Doping with divalent transition metals (Zn²⁺ and Mn²⁺) on the M³⁺ site, or Na¹⁺ on the A³⁺ site allowed for rational control of the carrier concentration and a transition towards degenerate semiconducting behavior. In optimally-doped samples, promising peak zT values between 0.4 and 0.9 were obtained, highlighting the value of continued investigations of complex Zintl phases.

Generation of sub-5 fs pulses through cascade of filamentation and hollow fiber compression

A pulse-compression scheme based on cascade of filamentation and hollow fiber has been demonstrated, Pulses with duration of sub-5 fs and energy of 0.2 mJ near 800 nm have been generated by compressing the similar to 40 fs pulses from a commercial laser system. This method is promising to generate near monocycle high energy pulses. [GRAPHICS] Measured autocorrelation curve of the final compressed pulses with duration of sub-5 fs (black solid) and the simulated autocorrelation curve of 4.6 fs pulse near 800 rim (red dash) (C) 2008 by Astro Ltd. Published exclusively by WILEY-VCH Verlag GmbH & Co. KGaA