Interface energy and its influence on interface fracture between metal and ceramic thin films in nanoscale

A theoretical model about the size-dependent interface energy between two thin films with different materials is developed by considering the chemical bonding contribution based on the thermodynamic expressions and the structure strain contribution based on the mechanical characteristics. The interface energy decreases with reducing thickness of thin films, and is determined by such available thermodynamic and mechanical parameters as the melting entropy, the melting enthalpy, the shear modulus of two materials, etc. The predicted interface energies of some metal/MgO and metal/Al2O3 interfaces based on the model are consistent with the results based on the molecular mechanics calculation. Furthermore, the interface fracture properties of Ag/MgO and Ni/Al2O3 based on the atomistic simulation are further compared with each other. The fracture strength and the toughness of the interface with the smaller structure interface energy are both found to be lower. The intrinsic relations among the interface energy, the interface strength, and the fracture toughness are discussed by introducing the related interface potential and the interface stress. The microscopic interface fracture toughness is found to equal the structure interface energy in nanoscale, and the microscopic fracture strength is proportional to the fracture toughness. (C) 2010 American Institute of Physics. [doi:10.1063/1.3501090]

Nano-size Effect of Interface Energy and Its Effect on Interface Fracture

An analytical model about size-dependent interface energy of metal/ceramic interfaces in nanoscale is developed by introducing both the chemical energy and the structure stain energy contributions. The dependence of interface energy on the interface thickness is determined by the melting enthalpy, the molar volume, and the shear modulus of two materials composing the interfaces, etc. The analytic prediction of the interface energy and the atomic scale simulation of the interface fracture strength are compared with each other for Ag/MgO and Ni/Al2O3 interfaces, the fracture strength of the interface with the lower chemical interface energy is found to be larger. The potential of Ag/MgO interface related to the interface energy is calculated, and the interface stress and the interface fracture strength are estimated further. The effect of the interface energy on the interface strength and the behind mechanism are discussed.

Grid-side cascade inverter system as an interface for wind energy storage

Additional converters that are used to interface energy storage devices incur power losses as well as increased system cost and complexity. The need for additional converters can be eliminated if the grid side inverter can itself be effectively used as the interface for energy storage. This paper therefore proposes a technique whereby the grid side inverter can also be used as an interface to connect a supercapacitor energy storage for wind energy conversion systems. The proposed grid side inverter is formed by cascading a 3-level inverter and a 2-level inverter through a coupling transformer. The three-level inverter is the main inverter and it is powered by the rectified output of the wind turbine coupled AC generator while the 2-level auxiliary inverter is connected to the super capacitor bank that is used to compensate short term power fluctuations. Novel modulation and control techniques are proposed to address the problems associated with non-integer and dynamically-changing dc-link voltage ratio, which is caused by the random nature of wind. Simulation results are presented to verify the efficacy of the proposed system in suppressing short term wind power fluctuations.

Effect of stacking fault energy on the dynamic recrystallization during hot working of FCC metals: A study using processing maps

The influence of stacking fault energy (SFE) on the mechanism of dynamic recrystallization (DRX) during hot deformation of FCC metals is examined in the light of results from the power dissipation maps. The DRX domain for high SFE metals like Al and Ni occurred at homologous temperature below 0·7 and strain rates of 0·001 s−1 while for low SFE metals like Cu and Pb the corresponding values are higher than 0·8 and 100 s−1. The peak efficiencies of power dissipation are 50% and below 40% respectively. A simple model which considers the rate of interface formation (nucleation) involving dislocation generation and simultaneous recovery and the rate of interface migration (growth) occurring with the reduction in interface energy as the driving force, has been proposed to account for the effect of SFE on DRX. The calculations reveal that in high SFE metals, interface migration controls DRX while the interface formation is the controlling factor in low SFE metals. In the latter case, the occurrence of flow softening and oscillations could be accounted for by this model.

Influence of interface properties on fracture behaviour of concrete

Hardened concrete is a three-phase composite consisting of cement paste, aggregate and interface between cement paste and aggregate. The interface in concrete plays a key role on the overall performance of concrete. The interface properties such as deformation, strength, fracture energy, stress intensity and its influence on stiffness and ductility of concrete have been investigated. The effect of composition of cement, surface characteristics of aggregate and type of loading have been studied. The load-deflection response is linear showing that the linear elastic fracture mechanics (LEFM) is applicable to characterize interface. The crack deformation increases with large rough aggregate surfaces. The strength of interface increases with the richness of concrete mix. The interface fracture energy increases as the roughness of the aggregate surface increases. The interface energy under mode II loading increases with the orientation of aggregate surface with the direction of loading. The chemical reaction between smooth aggregate surface and the cement paste seems to improve the interface energy. The ductility of concrete decreases as the surface area of the strong interface increases. The fracture toughness (stress intensity factor) of the interface seems to be very low, compared with hardened cement paste, mortar and concrete.

Effect of Stress and Interface defects on Photo Luminescence of Si nano-crystals embedded in SiO2

Effect of stress and interface defects on photo luminescence property of a silicon nano-crystal (Si-nc) embedded in amorphous silicon dioxide (a-SiO2) are studied in this paper using a self-consistent quantum-continuum based modeling framework. Si-ncs or quantum dots show photoluminescence at room temperature. Whether its origin is due to Si-nc/a-SiO2 interface defects or quantum confinement of carriers in Si-nc is still an outstanding question. Earlier reports have shown that stresses greater than 12 GPa change the indirect energy band gap structure of bulk Si to a direct energy band gap structure. Such stresses are observed very often in nanostructures and these stresses influence the carrier confinement energy significantly. Hence, it is important to determine the effect of stress in addition to the structure of interface defects on photoluminescence property of Si-nc. In the present work, first a Si-nc embedded in a-SiO2 is constructed using molecular dynamics simulation framework considering the actual conditions they are grown so that the interface and residual stress in the structure evolves naturally during formation. We observe that the structure thus created has an interface of about 1 nm thick consisting of 41.95% of defective states mostly Sin+ (n = 0 to 3) coordination states. Further, both the Si-nc core and the embedding matrix are observed to be under a compressive strain. This residual strain field is applied in an effective mass k.p Hamiltonian formulation to determine the energy states of the carriers. The photo luminescence property computed based on the carrier confinement energy and interface energy states associated with defects will be analysed in details in the paper.

Investigations of cohesive zone properties of the interface between metal film and ceramic substrate at nano- and micro-scales

Cohesive zone characterizations of the interface between metal film and ceramic substrate at micro- and nano-scales are performed in the present research. At the nano-scale, a special potential for special material interface (Ag/MgO) is adopted to investigate the interface separation mechanism by using MD simulation, and stress-separation relationship will be obtained. At the micro-scale, peeling experiment is performed for the Al film/Al2O3 substrate system with an adhesive layer at the interface. Adhesive is a mixture of epoxy and polyimide with mass ratio 1:1, by which a brittle cohesive property is obtained. The relationships between energy release rate, the film thickness and the adhesive layer thickness are measured during the steady-state peeling. The experimental result has a similar trend as modeling result for a weak adhesion interface case.

A model for energy and morphology of crystalline grain boundaries with arbitrary geometric character

It has been well-established that interfaces in crystalline materials are key players in the mechanics of a variety of mesoscopic processes such as solidification, recrystallization, grain boundary migration, and severe plastic deformation. In particular, interfaces with complex morphologies have been observed to play a crucial role in many micromechanical phenomena such as grain boundary migration, stability, and twinning. Interfaces are a unique type of material defect in that they demonstrate a breadth of behavior and characteristics eluding simplified descriptions. Indeed, modeling the complex and diverse behavior of interfaces is still an active area of research, and to the author's knowledge there are as yet no predictive models for the energy and morphology of interfaces with arbitrary character. The aim of this thesis is to develop a novel model for interface energy and morphology that i) provides accurate results (especially regarding "energy cusp" locations) for interfaces with arbitrary character, ii) depends on a small set of material parameters, and iii) is fast enough to incorporate into large scale simulations.

In the first half of the work, a model for planar, immiscible grain boundary is formulated. By building on the assumption that anisotropic grain boundary energetics are dominated by geometry and crystallography, a construction on lattice density functions (referred to as "covariance") is introduced that provides a geometric measure of the order of an interface. Covariance forms the basis for a fully general model of the energy of a planar interface, and it is demonstrated by comparison with a wide selection of molecular dynamics energy data for FCC and BCC tilt and twist boundaries that the model accurately reproduces the energy landscape using only three material parameters. It is observed that the planar constraint on the model is, in some cases, over-restrictive; this motivates an extension of the model.

In the second half of the work, the theory of faceting in interfaces is developed and applied to the planar interface model for grain boundaries. Building on previous work in mathematics and materials science, an algorithm is formulated that returns the minimal possible energy attainable by relaxation and the corresponding relaxed morphology for a given planar energy model. It is shown that the relaxation significantly improves the energy results of the planar covariance model for FCC and BCC tilt and twist boundaries. The ability of the model to accurately predict faceting patterns is demonstrated by comparison to molecular dynamics energy data and experimental morphological observation for asymmetric tilt grain boundaries. It is also demonstrated that by varying the temperature in the planar covariance model, it is possible to reproduce a priori the experimentally observed effects of temperature on facet formation.

Finally, the range and scope of the covariance and relaxation models, having been demonstrated by means of extensive MD and experimental comparison, future applications and implementations of the model are explored.

Grain boundary interface mechanics in strain gradient crystal plasticity

Interactions between dislocations and grain boundaries play an important role in the plastic deformation of polycrystalline metals. Capturing accurately the behaviour of these internal interfaces is particularly important for applications where the relative grain boundary fraction is significant, such as ultra fine-grained metals, thin films and microdevices. Incorporating these micro-scale interactions (which are sensitive to a number of dislocation, interface and crystallographic parameters) within a macro-scale crystal plasticity model poses a challenge. The innovative features in the present paper include (i) the formulation of a thermodynamically consistent grain boundary interface model within a microstructurally motivated strain gradient crystal plasticity framework, (ii) the presence of intra-grain slip system coupling through a microstructurally derived internal stress, (iii) the incorporation of inter-grain slip system coupling via an interface energy accounting for both the magnitude and direction of contributions to the residual defect from all slip systems in the two neighbouring grains, and (iv) the numerical implementation of the grain boundary model to directly investigate the influence of the interface constitutive parameters on plastic deformation. The model problem of a bicrystal deforming in plane strain is analysed. The influence of dissipative and energetic interface hardening, grain misorientation, asymmetry in the grain orientations and the grain size are systematically investigated. In each case, the crystal response is compared with reference calculations with grain boundaries that are either 'microhard' (impenetrable to dislocations) or 'microfree' (an infinite dislocation sink). © 2013 Elsevier Ltd. All rights reserved.

Energy Efficient Multimedia Communications in IEEE 802.11 Networks

During the last decade wireless mobile communications have progressively become part of the people’s daily lives, leading users to expect to be “alwaysbest-connected” to the Internet, regardless of their location or time of day. This is indeed motivated by the fact that wireless access networks are increasingly ubiquitous, through different types of service providers, together with an outburst of thoroughly portable devices, namely laptops, tablets, mobile phones, among others. The “anytime and anywhere” connectivity criterion raises new challenges regarding the devices’ battery lifetime management, as energy becomes the most noteworthy restriction of the end-users’ satisfaction. This wireless access context has also stimulated the development of novel multimedia applications with high network demands, although lacking in energy-aware design. Therefore, the relationship between energy consumption and the quality of the multimedia applications perceived by end-users should be carefully investigated. This dissertation addresses energy-efficient multimedia communications in the IEEE 802.11 standard, which is the most widely used wireless access technology. It advances the literature by proposing a unique empirical assessment methodology and new power-saving algorithms, always bearing in mind the end-users’ feedback and evaluating quality perception. The new EViTEQ framework proposed in this thesis, for measuring video transmission quality and energy consumption simultaneously, in an integrated way, reveals the importance of having an empirical and high-accuracy methodology to assess the trade-off between quality and energy consumption, raised by the new end-users’ requirements. Extensive evaluations conducted with the EViTEQ framework revealed its flexibility and capability to accurately report both video transmission quality and energy consumption, as well as to be employed in rigorous investigations of network interface energy consumption patterns, regardless of the wireless access technology. Following the need to enhance the trade-off between energy consumption and application quality, this thesis proposes the Optimized Power save Algorithm for continuous Media Applications (OPAMA). By using the end-users’ feedback to establish a proper trade-off between energy consumption and application performance, OPAMA aims at enhancing the energy efficiency of end-users’ devices accessing the network through IEEE 802.11. OPAMA performance has been thoroughly analyzed within different scenarios and application types, including a simulation study and a real deployment in an Android testbed. When compared with the most popular standard power-saving mechanisms defined in the IEEE 802.11 standard, the obtained results revealed OPAMA’s capability to enhance energy efficiency, while keeping end-users’ Quality of Experience within the defined bounds. Furthermore, OPAMA was optimized to enable superior energy savings in multiple station environments, resulting in a new proposal called Enhanced Power Saving Mechanism for Multiple station Environments (OPAMA-EPS4ME). The results of this thesis highlight the relevance of having a highly accurate methodology to assess energy consumption and application quality when aiming to optimize the trade-off between energy and quality. Additionally, the obtained results based both on simulation and testbed evaluations, show clear benefits from employing userdriven power-saving techniques, such as OPAMA, instead of IEEE 802.11 standard power-saving approaches.

Evaluation of Video Transmission Energy Consumption and Quality

The widespread use of wireless enabled devices and the increasing capabilities of wireless technologies has promoted multimedia content access and sharing among users. However, the quality perceived by the users still depends on multiple factors such as video characteristics, device capabilities, and link quality. While video characteristics include the video time and spatial complexity as well as the coding complexity, one of the most important device characteristics is the battery lifetime. There is the need to assess how these aspects interact and how they impact the overall user satisfaction. This paper advances previous works by proposing and validating a flexible framework, named EViTEQ, to be applied in real testbeds to satisfy the requirements of performance assessment. EViTEQ is able to measure network interface energy consumption with high precision, while being completely technology independent and assessing the application level quality of experience. The results obtained in the testbed show the relevance of combined multi-criteria measurement approaches, leading to superior end-user satisfaction perception evaluation .

Fracture mechanics of piezoelectric materials

This paper presents an analysis of crack problems in homogeneous piezoelectrics or on the interfaces between two dissimilar piezoelectric materials based on the continuity of normal electric displacement and electric potential across the crack faces. The explicit analytic solutions are obtained for a single crack in an infinite piezoelectric or on the interface of piezoelectric bimaterials. For homogeneous materials it is found that the normal electric displacement D-2, induced by the crack, is constant along the crack faces which depends only on the remote applied stress fields. Within the crack slit, the perturbed electric fields induced by the crack are also constant and not affected by the applied electric displacement fields. For bimaterials, generally speaking, an interface crack exhibits oscillatory behavior and the normal electric displacement D-2 is a complex function along the crack faces. However, for bimaterials, having certain symmetry, in which an interface crack displays no oscillatory behavior, it is observed that the normal electric displacement D-2 is also constant along the crack faces and the electric field E-2 has the singularity ahead of the crack tip and has a jump across the interface. Energy release rates are established for homogeneous materials and bimaterials having certain symmetry. Both the crack front parallel to the poling axis and perpendicular to the poling axis are discussed. It is revealed that the energy release rates are always positive for stable materials and the applied electric displacements have no contribution to the energy release rates.

Direct Wafer Bonding Technology employing vacuum-cavity pre-bonding

A novel low temperature direct wafer bonding technology employing vacuum-cavity pre-bonding is proposed and applied in bonding of InGaAs/Si couple wafers under 300 degrees C and InP/GaAs couple wafers under 350 degrees C. Aligning accuracy of 0.5 mu m is achieved. During wafer bonding process the pressure on the couple wafers is 10MPa. The interface energy is sufficiently high to allow thinning of the wafers down from 350um to about 100um. And the tensile strength test indicates the bonding energy of bonded samples is about equal to the bonded samples at 550 degrees C.

Charge injection in an LED with a hybrid composite as the emissive layer

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Structural and Magnetic Properties of Neodymium - Iron - Boron Clusters

Using inert gas condensation techniques the properties of sputtered neodymium-iron-born clusters were investigated. A D.C. magnetron sputtering source created vaporous Nd-Fe-B which was then condensed into clusters and deposited onto silicon substrates. A composite target of Nd-Fe-B discs on an iron plate and a composite target of Nd-(Fe-Co)-B were utilized to create clusters. The clusters were coated with a carbon layer through R.F. sputtering to prevent oxidation. Samples were investigated in the TEM and showed a size distribution with an average particle diameter of 8.11 nm. The clusters, upon deposition, were amorphous as indicated by diffuse diffraction patterns obtained through SAD. The EDS showed compositionally a direct correlation in the ratio of rare-earth to transition metals between the target and deposited samples. The magnetic properties of the as-deposited clusters showed superparamagnetic properties at high temperatures and ferromagnetic properties at low temperatures; these properties are indicative of rare-earth transition metal amorphous clusters. Annealing of samples showed an initial increase in the coercivity. Samples were annealed in an inert gas atmosphere at 600o C for increasing amounts of time. The samples showed an initial increase in coercivity, but showed no additional increases with additional annealing time. SAD of annealed cluster samples showed the presence of Nd2Fe17 and a bcc-Nd phase. The bcc-Nd is the result of oxidation at high temperatures created during annealing and surface interface energy. The magnetic properties of the annealed samples showed weak coercivity and a saturation magnetization equivalent to that of Nd2Fe17. The annealed clusters showed a slight increase in coercivity at low temperatures. These results indicate a loss of boron during the sputtering process.