Stationary crack tip fields in elastic-plastic solids: an overview of recent numerical simulations

In this paper, an overview of some recent numerical simulations of stationary crack tip fields in elastic-plastic solids is presented. First, asymptotic analyses carried out within the framework of 2D plane strain or plane stress conditions in both pressure insensitive and pressure sensitive plastic solids are reviewed. This is followed by discussion of salient results obtained from recent computational studies. These pertain to 3D characteristics of elastic-plastic near-front fields under mixed mode loading, mechanics of fracture and simulation of near-tip shear banding process of amorphous alloys and influence of crack tip constraint on the structure of near-tip fields in ductile single crystals. These results serve to illustrate several important features associated with stress and strain distributions near the crack tip and provide the foundation for understanding the operative failure mechanisms. The paper concludes by highlighting some of the future prospects for this field of study.

Low loss waveguide on chalcogenide glass using ultrafast laser at low repetition rate

In this work, we synthesized bulk amorphous GeGaS glass by conventional melt quenching technique. Amorphous nature of the glass is confirmed using X-ray diffraction. We fabricated the channel waveguides on this glass using the ultrafast laser inscription technique. The waveguides are written on this glass 100 mu m below the surface of the glass with a separation of 50 ae m by focusing the laser beam into the material using 0.67 NA lens. The laser parameters are set to 350 fs pulse duration at 100 KHz repetition rate. A range of writing energies with translation speeds 1 mm/s, 2 mm/s, 3 mm/s and 4 mm/s were investigated. After fabrication the waveguides facets were ground and polished to the optical quality to remove any tapering of the waveguide close to the edges. We characterized the loss measurement by butt coupling method and the mode field image of the waveguides has been captured to compare with the mode field image of fibers. Also we compared the asymmetry in the shape of the waveguide and its photo structural change using Raman spectra.

Fracture in metallic glasses: mechanics and mechanisms

Significant progress in understanding the mechanical behavior of metallic glasses (MGs) was made over the past decade, particularly on mechanisms of plastic deformation. However, recent research thrust has been on exploring the mechanics and physics of fracture. MGs can be very brittle with K-Ic values similar to silicate glasses and ceramics or very tough with K-Ic akin to high toughness crystalline metals. Even the tough MGs can become brittle with structural relaxation following annealing at temperatures close to glass transition temperature (T-g). Detailed experimental studies coupled with complementary numerical simulations of the recent past have provided insights on the micromechanisms of failure as well as nature of crack tip fields, and established the governing fracture criteria for ductile and brittle glasses. In this paper, the above advances are reviewed and outstanding issues in the context of fracture of amorphous alloys that need to be resolved are identified.

氢对锆基块体非晶合金形变和开裂的影响

通过充氢和未充氢缺口拉伸试样和三点弯曲试样在SEM下的原位加载,研究了氢对Zr65Al7.5Ni10Cu17．5块体非晶合金形变和开裂过程的影响．结果表明,无论是否有氢,块体非晶的剪切带发展到临界尺寸,剪切裂纹就沿剪切带形核、扩展,它一旦张开就导致快速的断裂．断口边缘观察到的无特征区是剪切带,而不是剪切裂纹断口;剪切断口形貌和拉伸断口形貌没有本质区别．只有当长时间充氢才能形成氢鼓泡,如鼓泡很小或尚未形成,则氢对剪切带以及裂纹的形核、扩展没有明显影响;如存在较大的氢鼓泡,则当剪切带尚未充分发展时微裂纹就形核,导致低应力脆断．

Prediction Of Shear-Band Thickness In Metallic Glasses

We derive an explicit expression for predicting the thicknesses of shear bands in metallic glasses. The model demonstrates that the shear-band thickness is mainly dominated by the activation size of the shear transformation zone (STZ) and its activation free volume concentration. The predicted thicknesses agree well with the results of measurements and simulations. The underlying physics is attributed to the local topological instability of the activated STZ. The result is of significance in understanding the origin of inhomogeneous flow in metallic glasses. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Light absorption in silicon quantum dots embedded in silica

The photon absorption in Si quantum dots (QDs) embedded in SiO2 has been systematically investigated by varying several parameters of the QD synthesis. Plasma-enhanced chemical vapor deposition (PECVD) or magnetron cosputtering (MS) have been used to deposit, upon quartz substrates, single layer, or multilayer structures of Si-rich- SiO2 (SRO) with different Si content (43-46 at. %). SRO samples have been annealed for 1 h in the 450-1250 °C range and characterized by optical absorption measurements, photoluminescence analysis, Rutherford backscattering spectrometry and x-ray Photoelectron Spectroscopy. After annealing up to 900 °C SRO films grown by MS show a higher absorption coefficient and a lower optical bandgap (∼2.0 eV) in comparison with that of PECVD samples, due to the lower density of Si-Si bonds and to the presence of nitrogen in PECVD materials. By increasing the Si content a reduction in the optical bandgap has been recorded, pointing out the role of Si-Si bonds density in the absorption process in small amorphous Si QDs. Both the photon absorption probability and energy threshold in amorphous Si QDs are higher than in bulk amorphous Si, evidencing a quantum confinement effect. For temperatures higher than 900 °C both the materials show an increase in the optical bandgap due to the amorphous-crystalline transition of the Si QDs. Fixed the SRO stoichiometry, no difference in the optical bandgap trend of multilayer or single layer structures is evidenced. These data can be profitably used to better implement Si QDs for future PV technologies. © 2009 American Institute of Physics.

MICROSTRUCTURE AND MECHANICAL PROPERTIES OF TI-BASED METALLIC GLASS MATRIX COMPOSITES

Ti40Cu40Ni10Zr10-xScx (x = 0.5 and 1, at%) alloys were prepared by copper mould casting method. Microstructures of the phi 3 mm rod alloys were investigated by XRD and SEM. The results showed that the phi 3 mm rods were glassy matrix with TiCu crystalline phase. Mechanical properties were studied by compressive test. Ti40Cu40Ni10Zr9Sc1 alloy exhibited good compressive strength over 2200 MPa and superior compressive deformation is about 7.9%.

On the Tailoring of Magnetic Properties of Fe-Based Alloy Thin Films by Swift Heavy Ion Irradiation and Thermal Annealing

The development of new materials has been the hall mark of human civilization. The quest for making new devices and new materials has prompted humanity to pursue new methods and techniques that eventually has given birth to modern science and technology. With the advent of nanoscience and nanotechnology, scientists are trying hard to tailor materials by varying their size and shape rather than playing with the composition of the material. This, along with the discovery of new and sophisticated imaging tools, has led to the discovery of several new classes of materials like (3D) Graphite, (2D) graphene, (1D) carbon nanotubes, (0D) fullerenes etc. Magnetic materials are in the forefront of applications and have beencontributing their share to remove obsolescence and bring in new devices based on magnetism and magnetic materials. They find applications in various devices such as electromagnets, read heads, sensors, antennas, lubricants etc. Ferromagnetic as well as ferrimagnetic materials have been in use in the form of various devices. Among the ferromagnetic materials iron, cobalt and nickel occupy an important position while various ferrites finds applications in devices ranging from magnetic cores to sensors.

Is the electrochemically-induced crystallization in lead oxifluoroborate glasses indeed an electrode- or/and an electric field-promoted phenomenon?

While evidence of ion reduction at the cathode has been given, proof of anode activity, in order to account completely for the redox-type electrochemical mechanism so far postulated to originate the electric field-induced non-spontaneous crystallization observed in glasses, is still lacking. This study demonstrates that direct contact of both cathode and anode electrodes with the material is mandatory to promote crystal nucleation. The electrochemical process of concern is established here to involve a solid-state process, electrolytic in nature. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Propriedades magnéticas quase-estáticas de filmes ferromagnéticos amorfos de FeCuNbSiB

Today, one of the topics that attracts interest of the scientific community is the understanding of magnetic properties of magnetic systems with reduced dimensions, in particular, ferromagnetic thin films. In this case, the comprehension and control of these properties, as well as the development of routes to obtain them, are crucial issues in many aspects of current and future technologies for storage and transmission of information in the electro-electronic industry. There are several materials that exhibit soft magnetic properties, and we highlight the amorphous alloys and that ones obtained by partial crystallization, so-called nanocrystalline materials. The production of these alloys as magnetic ribbons is very common in scientific and technological area, but there are just a few works related to the production of these alloys as thin films. In this work, we studied the quasi-static magnetic properties of ferromagnetic thin films based on FeCuNbSiB in a wide range of thicknesses, from 20 to 500 nm, produced by sputtering. In particular, after the structural characterization performed via X-ray diffraction, the magnetic properties of the sets of samples were investigated using experimental magnetization curve, obtained using a vibrating sample magnetometer, as well as through theoretical curves obtained by theoretical modeling and numerical computation. The modeling process is based on the Stoner Wohlfarth model applied to three dimensions, and adds some energy terms, using as reference experimental results of magnetization. In this case, from the comparison between theoretical and experimental results and the analysis of the constant anisotropy behavior as a function of film thickness, we aim to obtain further information on the magnetization process of the samples, to identify routes for the production of thin films and develop a theoretical to films to use it, in the future, in the obtainment of the theoretical curves of some magnetic measurements, such as magnetoimpedance and magnetoresistance

Microstructural and mechanical characterization of tungsten based materials for fusion reactors

El wolframio (W) y sus aleaciones se consideran los mejores candidatos para la construcción del divertor en la nueva generación de reactores de fusión nuclear. Este componente va a recibir las cargas térmicas más elevadas durante el funcionamiento del reactor ya que estará en contacto directo con el plasma. En los últimos años, después de un profundo análisis y siguiendo una estrategia de reducción de costes, la Organización de ITER tomó la decisión de construir el divertor integramente de wolframio desde el principio. Por ello, el wolframio no sólo actuará como material en contacto con el plasma (PFM), sino que también tendría aplicaciones estructurales. El wolframio, debido a sus excelentes propiedades termo-físicas, cumple todos los requerimientos para ser utilizado como PFM, sin embargo, su inherente fragilidad pone en peligro su uso estructural. Por tanto, uno de los principales objetivos de esta tesis es encontrar una aleación de wolframio con menor fragilidad. Durante éste trabajo, se realizó la caracterización microstructural y mecánica de diferentes materiales basados en wolframio. Sin embargo, ésta tarea es un reto debido a la pequeña cantidad de material suministrado, su reducido tamaño de grano y fragilidad. Por ello, para una correcta medida de todas las propiedades físicas y mecánicas se utilizaron diversas técnicas experimentales. Algunas de ellas se emplean habitualmente como la nanoindentación o los ensayos de flexión en tres puntos (TPB). Sin embargo, otras fueron especificamente desarrolladas e implementadas durante el desarrollo de esta tesis como es el caso de la medida real de la tenacidad de fractura en los materiales masivos, o de las medidas in situ de la tenacidad de fractura en las láminas delgadas de wolframio. Diversas composiciones de aleaciones de wolframio masivas (W-1% Y2O3, W-2% V-0.5% Y2O3, W-4% V-0.5% Y2O3, W-2% Ti-1% La2O3 y W-4% Ti-1% La2O3) se han estudiado y comparado con un wolframio puro producido en las mismas condiciones. Estas aleaciones, producidas por ruta pulvimetalúrgica de aleado mecánico (MA) y compactación isostática en caliente (HIP), fueron microstructural y mecánicamente caracterizadas desde 77 hasta 1473 K en aire y en alto vacío. Entre otras propiedades físicas y mecánicas se midieron la dureza, el módulo elástico, la resistencia a flexión y la tenacidad de fractura para todas las aleaciones. Finalmente se analizaron las superficies de fractura después de los ensayos de TPB para relacionar los micromecanismos de fallo con el comportamiento macroscópico a rotura. Los resultados obtenidos mostraron un comportamiento mecánico frágil en casi todo el intervalo de temperaturas y para casi todas las aleaciones sin mejoría de la temperatura de transición dúctil-frágil (DBTT). Con el fin de encontrar un material base wolframio con una DBTT más baja se realizó también un estudio, aún preliminar, de láminas delgadas de wolframio puro y wolframio dopado con 0.005wt.% potasio (K). Éstas láminas fueron fabricadas industrialmente mediante sinterizado y laminación en caliente y en frío y se sometieron posteriormente a un tratamiento térmico de recocido desde 1073 hasta 2673 K. Se ha analizado la evolución de su microestructura y las propiedades mecánicas al aumentar la temperatura de recocido. Los resultados mostraron la estabilización de los granos de wolframio con el incremento de la temperatura de recocido en las láminas delgadas de wolframio dopado con potasio. Sin embargo, es necesario realizar estudios adicionales para entender mejor la microstructura y algunas propiedades mecánicas de estos materiales, como la tenacidad de fractura. Tungsten (W) and tungsten-based alloys are considered to be the best candidate materials for fabricating the divertor in the next-generation nuclear fusion reactors. This component will experience the highest thermal loads during the operation of a reactor since it directly faces the plasma. In recent years, after thorough analysis that followed a strategy of cost reduction, the ITER Organization decided to built a full-tunsgten divertor before the first nuclear campaigns. Therefore, tungsten will be used not only as a plasma-facing material (PFM) but also in structural applications. Tungsten, due to its the excellent thermo-physical properties fulfils the requirements of a PFM, however, its use in structural applications is compromised due to its inherent brittleness. One of the objectives of this phD thesis is therefore, to find a material with improved brittleness behaviour. The microstructural and mechanical characterisation of different tunsgten-based materials was performed. However, this is a challenging task because of the reduced laboratory-scale size of the specimens provided, their _ne microstructure and their brittleness. Consequently, many techniques are required to ensure an accurate measurement of all the mechanical and physical properties. Some of the applied methods have been widely used such as nanoindentation or three-point bending (TPB) tests. However, other methods were specifically developed and implemented during this work such as the measurement of the real fracture toughness of bulk-tunsgten alloys or the in situ fracture toughness measurements of very thin tungsten foils. Bulk-tunsgten materials with different compositions (W-1% Y2O3, W-2% V- 0.5% Y2O3, W-4% V-0.5% Y2O3, W-2% Ti-1% La2O3 and W-4% Ti-1% La2O3) were studied and compared with pure tungsten processed under the same conditions. These alloys, produced by a powder metallurgical route of mechanical alloying (MA) and hot isostatic pressing (HIP), were microstructural and mechanically characterised from 77 to 1473 K in air and under high vacuum conditions. Hardness, elastic modulus, flexural strength and fracture toughness for all of the alloys were measured in addition to other physical and mechanical properties. Finally, the fracture surfaces after the TPB tests were analysed to correlate the micromechanisms of failure with the macroscopic behaviour. The results reveal brittle mechanical behaviour in almost the entire temperature range for the alloys and micromechanisms of failure with no improvement in the ductile-brittle transition temperature (DBTT). To continue the search of a tungsten material with lowered DBTT, a preliminary study of pure tunsgten and 0.005 wt.% potassium (K)-doped tungsten foils was also performed. These foils were industrially produced by sintering and hot and cold rolling. After that, they were annealed from 1073 to 2673 K to analyse the evolution of the microstructural and mechanical properties with increasing annealing temperature. The results revealed the stabilisation of the tungsten grains with increasing annealing temperature in the potassium-doped tungsten foil. However, additional studies need to be performed to gain a better understanding of the microstructure and mechanical properties of these materials such as fracture toughness.

First-principles calculation of P-type alloy scattering in Si1-xGex

The p-type carrier scattering rate due to alloy disorder in Si1-xGex alloys is obtained from first principles. The required alloy scattering matrix elements are calculated from the energy splitting of the valence bands, which arise when one average host atom is replaced by a Ge or Si atom in supercells containing up to 128 atoms. Alloy scattering within the valence bands is found to be characterized by a single scattering parameter. The hole mobility is calculated from the scattering rate using the Boltzmann transport equation in the relaxation time approximation. The results are in good agreement with experiments on bulk, unstrained alloys..

First-principles calculation of alloy scattering in GexSi1-x

First-principles electronic structure methods are used to find the rates of intravalley and intervalley n-type carrier scattering due to alloy disorder in Si1-xGex alloys. The required alloy scattering matrix elements are calculated from the energy splitting of nearly degenerate Bloch states which arises when one average host atom is replaced by a Ge or Si atom in supercells containing up to 128 atoms. Scattering parameters for all relevant Delta and L intravalley and intervalley alloy scattering are calculated. Atomic relaxation is found to have a substantial effect on the scattering parameters. f-type intervalley scattering between Delta valleys is found to be comparable to other scattering channels. The n-type carrier mobility, calculated from the scattering rate using the Boltzmann transport equation in the relaxation time approximation, is in excellent agreement with experiments on bulk, unstrained alloys.

A tight-binding analysis of the electronic properties of III-nitride semiconductors

This thesis divides into two distinct parts, both of which are underpinned by the tight-binding model. The first part covers our implementation of the tight-binding model in conjunction with the Berry phase theory of electronic polarisation to probe the atomistic origins of spontaneous polarisation and piezoelectricity as well as attempting to accurately calculate the values and coefficients associated with these phenomena. We first develop an analytic model for the polarisation of a one-dimensional linear chain of atoms. We compare the zincblende and ideal wurtzite structures in terms of effective charges, spontaneous polarisation and piezoelectric coefficients, within a first nearest neighbour tight-binding model. We further compare these to real wurtzite structures and conclude that accurate quantitative results are beyond the scope of this model but qualitative trends can still be described. The second part of this thesis deals with implementing the tight-binding model to investigate the effect of local alloy fluctuations in bulk AlGaN alloys and InGaN quantum wells. We calculate the band gap evolution of Al1_xGaxN across the full composition range and compare it to experiment as well as fitting bowing parameters to the band gap as well as to the conduction band and valence band edges. We also investigate the wavefunction character of the valence band edge to determine the composition at which the optical polarisation switches in Al1_xGaxN alloys. Finally, we examine electron and hole localisation in InGaN quantum wells. We show how the built-in field localises the carriers along the c-axis and how local alloy fluctuations strongly localise the highest hole states in the c-plane, while the electrons remain delocalised in the c-plane. We show how this localisation affects the charge density overlap and also investigate the effect of well width fluctuations on the localisation of the electrons.

Pressure-Induced transitions in amorphous TlxSe100-x alloys

The electrical resistivity of bulk semiconducting amorphous TlxSe100-x alloys with 0 ≤ x ≤ 25 has been investigated up to a pressure of 14 GPa and down to liquidnitrogen temperature by use of a Bridgman anvil device. All the glasses undergo a discontinuous pressure-induced semiconducting-to-metal transition. X-ray diffraction studies on the pressure-recovered samples show that the high-pressure phase is the crystalline phase. The pressure-induced crystalline products are identified to be a mixture of Se having a hexagonal structure with a = 4·37 Aring and c = 4·95 Aring and TlSe having a tetragonal structure with a = 8·0 Aring and c = 7·0 Aring