The annular crack in a nonhomogeneous matrix surrounding a fiber under torsional loading .2. The crack going through the bimaterial interface into the fiber

The axisymmetric problem of an elastic fiber perfectly bonded to a nonhomogeneous elastic matrix which contains an annular crack going through the interface into the fiber under axially symmetric shear stress is considered. The nature of the stress singularity is studied. It is shown that at the irregular point on the interface, whether the shear modulus is continuous or discontinuous the stresses are bounded. The problem is formulated in terms of a singular integral equation and can be solved by a regular method. The stress intensity factors and crack surface displacement are given.

A new method for evaluation of stress intensities for interface cracks

A new method is presented for calculating the values of K-I and K-II in the elasticity solution at the tip of an interface crack. The method is based on an evaluation of the J-integral by the virtual crack extension method. Expressions for calculating K-I and K-II by using the displacements and the stiffness derivative of the finite element solution and asymptotic crack tip displacements are derived. The method is shown to produce very accurate solutions even with coarse element mesh.

Variable power singular interface elements for a crack normal to the bimaterial interface

Zero thickness crack tip interface elements for a crack normal to the interface between two materials are presented. The elements are shown to have the desired r(lambda-1) (0 < lambda < 1) singularity in the stress field at the crack tip and are compatible with other singular elements. The stiffness matrices of the quadratic and cubic interface element are derived. Numerical examples are given to demonstrate the applicability of the proposed interface elements for a crack perpendicular to the bimaterial interface.

Engineering multi-step electron tunneling systems in proteins

Multi-step electron tunneling, or “hopping,” has become a fast-developing research field with studies ranging from theoretical modeling systems, inorganic complexes, to biological systems. In particular, the field is exploring hopping mechanisms in new proteins and protein complexes, as well as further understanding the classical biological hopping systems such as ribonuclease reductase, DNA photolyases, and photosystem II. Despite the plethora of natural systems, only a few biologically engineered systems exist. Engineered hopping systems can provide valuable information on key structural and electronic features, just like other kinds of biological model systems. Also, engineered systems can harness common biologic processes and utilize them for alternative reactions. In this thesis, two new hopping systems are engineered and characterized.

The protein Pseudomonas aeruginosa azurin is used as a building block to create the two new hopping systems. Besides being well studied and amenable to mutation, azurin already has been used to successfully engineer a hopping system. The two hopping systems presented in this thesis have a histidine-attached high potential rhenium 4,7-dimethyl-1,10-phenanthroline tricarbonyl [Re(dmp)(CO)3] + label which, when excited, acts as the initial electron acceptor. The metal donor is the type I copper of the azurin protein. The hopping intermediates are all tryptophan, an amino acid mutated into the azurin at select sites between the photoactive metal label and the protein metal site. One system exhibits an inter-molecular hopping through a protein dimer interface; the other system undergoes intra-molecular multi-hopping utilizing a tryptophan “wire.” The electron transfer reactions are triggered by excitation of the rhenium label and monitored by UV-Visible transient absorption, luminescence decays measurements, and time-resolved Infrared spectroscopy (TRIR). Both systems were structurally characterized by protein X-ray crystallography.

DistributedCL: middleware de processamento distribuído em GPU com interface da API OpenCL.

Este trabalho apresenta a proposta de um middleware, chamado DistributedCL, que torna transparente o processamento paralelo em GPUs distribuídas. Com o suporte do middleware DistributedCL uma aplicação, preparada para utilizar a API OpenCL, pode executar de forma distribuída, utilizando GPUs remotas, de forma transparente e sem necessidade de alteração ou nova compilação do seu código. A arquitetura proposta para o middleware DistributedCL é modular, com camadas bem definidas e um protótipo foi construído de acordo com a arquitetura, onde foram empregados vários pontos de otimização, incluindo o envio de dados em lotes, comunicação assíncrona via rede e chamada assíncrona da API OpenCL. O protótipo do middleware DistributedCL foi avaliado com o uso de benchmarks disponíveis e também foi desenvolvido o benchmark CLBench, para avaliação de acordo com a quantidade dos dados. O desempenho do protótipo se mostrou bom, superior às propostas semelhantes, tendo alguns resultados próximos do ideal, sendo o tamanho dos dados para transmissão através da rede o maior fator limitante.

Band alignment between Ta2O5 and metals for resistive random access memory electrodes engineering

Band alignment of resistive random access memory (RRAM) switching material Ta2O5 and different metal electrode materials was examined using high-resolution X-ray photoelectron spectroscopy. Schottky and hole barrier heights at the interface between electrode and Ta2O 5 were obtained, where the electrodes consist of materials with low to high work function (Φ m, v a c from 4.06 to 5.93 eV). Effective metal work functions were extracted to study the Fermi level pinning effect and to discuss the dominant conduction mechanism. An accurate band alignment between electrodes and Ta2O5 is obtained and can be used for RRAM electrode engineering and conduction mechanism study. © 2013 American Institute of Physics.