Anisotropy of point defect diffusion in alpha-zirconium

Two types of intrinsic defect, i.e., vacancy and self-interstitial atom (SIA), are formed in metals during irradiation with energetic particles. The evolution of defect population leads to significant changes in microstructure and causes a number of radiation-induced property changes. Some phenomena, such as radiation growth of anisotropic materials, are due to anisotropy in the atomic mass transport by point defects. Detailed information on atomic-scale mechanisms is, therefore, necessary to understand such phenomena. In this article, we present results of a computer simulation study of mass transport via point defects in alpha-zirconium. The matrix of self-diffusion coefficients and activation energies for vacancy and SIA defects have been obtained, and different methods of treatment of diffusion have been tested. Molecular dynamics (MD) shows that vacancy diffusion is approximately isotropic in the temperature range studied (1050 to 1650 K), although some preference for basal-plane diffusion was observed at the lower end of the range. The mechanism of interstitial diffusion changes from one-dimensional (1-D) in a direction at low temperature (<300 K) to two-dimensional (2-D) in the basal plane and, then, three-dimensional (3-D) at higher temperatures. This article is based on a presentation made in the symposium entitled “Defect Properties and Mechanical Behavior of HCP Metals and Alloys” at the TMS Annual Meeting, February 11–15, 2001, in New Orleans, Louisiana, under the auspices of the following ASM committees: Materials Science Critical Technology Sector, Structural Materials Division, Electronic, Magnetic & Photonic Materials Division, Chemistry & Physics of Materials Committee, Joint Nuclear Materials Committee, and Titanium Committee.     

Simulation of atmospheric phenomena

This paper presents a physically based simulation of atmospheric phenomena. It takes into account the physics of non-homogeneous media in which the index of refraction varies continuously, creating curved light paths. As opposed to previous research on this area, we solve the physically based differential equation that describes the trajectory of light. We develop an accurate expression of the index of refraction in the atmosphere as a function of wavelength, based on real measured data. We also describe our atmosphere profile manager, which lets us mimic the initial conditions of real-world scenes for our simulations. The method is validated both visually (by comparing the images with the real pictures) and numerically (with the extensive literature from other areas of research such as optics or meteorology). The phenomena simulated include the inferior and superior mirages, the Fata Morgana, the Novaya–Zemlya, the Viking's end of the world, the distortions caused by heat waves and the green flash.     

A speed and accuracy test of backpropagation and RBF neural networks for small-signal models of active devices

Backpropagation networks are compared to radial basis function (RBF) networks when it comes to small signal modeling RF/microwave active devices. The modeled device is a 4×50 μm gate width, 0.25 μm gate length gallium arsenide (GaAs) Metal semiconductor field-effect transistor (MESFET). It is the authors’ intent to prove that RBF networks provide much better performance than backpropagation when it comes to this type of modeling. First, two separate backpropagation networks are created to determine the best training algorithm in terms of convergence speed. Then, the backpropagation network, using its best training algorithm, is compared to the RBF network in terms of speed and accuracy. Simulation results are presented in tables and figures for better understanding. All tests and simulations for the backpropagation and RBF networks are done using Matlab's Neural Network Toolbox.     

Parameter bounds evaluation of Wiener models with noninvertible polynomial nonlinearities

In this paper a three stage procedure is presented for deriving parameters bounds of SISO Wiener models when the nonlinear block is modeled by a possibly noninvertible polynomial and the output measurement errors are bounded. First, using steady-state input-output data, parameters of the nonlinear part are bounded by a tight orthotope. Then, given the estimated uncertain nonlinearity and the output measurements collected exciting the system with an input dynamic signal, bounds on the unmeasurable inner signal are computed. Finally, such bounds, together with noisy output measurements, are used for bounding the parameters of the linear block.     

Using <Superscript>1</Superscript>H and <Superscript>13</Superscript>C NMR techniques and artificial neural networks to detect the adulteration of olive oil with hazelnut oil

The lack of any official analytical method to detect the adulteration of olive oil with a low percentage of hazelnut oil is explained by the similarities in the chemical compositions of both kinds of oils. To counter this problem, an artificial neural network based on ¹H-NMR and ¹³C-NMR data has been developed to detect olive oil adulteration, and the results from this ANN are presented here. A training set consisting of hazelnut oils, pure olive oils, and olive oils blended with 2–20% hazelnut oils was used to design and train a multilayer perceptron with 100% correct classifications. This mathematical model was also validated using an external validation set of blend samples (3–15%) and genuine samples. The detection limit of the model was around 8%.     

Metal oxide-based monolithic complementary metal oxide semiconductor gas sensor microsystem

A fully integrated gas sensor microsystem is presented, which comprises for the first time a micro hot plate as well as advanced analog and digital circuitry on a single chip. The micro hot plate is coated with a nanocrystalline SnO2 thick film. The sensor chip is produced in an industrial 0.8-microm CMOS process with subsequent micromachining steps. A novel circular micro hot plate, which is 500 x 500 microm(2) in size, features an excellent temperature homogeneity of +/-2% over the heated area (300-microm diameter) and a high thermal efficiency of 6.0 degrees C/mW. A robust prototype package was developed, which relies on standard microelectronic packaging methods. Apart from a microcontroller board for managing chip communication and providing power supply and reference signals, no additional measurement equipment is needed. The on-chip digital temperature controller can accurately adjust the membrane temperature between 170 and 300 degrees C with an error of +/-2 degrees C. The on-chip logarithmic converter covers a wide measurement range between 1 kOmega and 10 MOmega. CO concentrations in the sub-parts-per-million range are detectable, and a resolution of +/-0.1 ppm CO was achieved, which renders the sensor capable of measuring CO concentrations at threshold levels.     

A CAVE-like environment as a tool for full-size train design

Simulations of models, in all different areas, is an expanding, attractive line of work. More and more applications are taking advantage of the improvements in technology and knowledge in this field, thus achieving results that would have been impossible to achieve with a real model, or foreseeing facts that otherwise would have been encountered too late in the production process. The rail industry is one possible beneficiary of this approach. Usually, before commencing the fabrication process of a new train, the construction of a full-size model is mandatory. Instead of building this full-size real model, which leaves little room for later, last-minute modifications, a virtual model can be built in the digital realm, thus offering a new platform for easier interaction with it. In this article, a simulation of a train is presented in order to tackle visual, aesthetic and ergonomic issues. The simulation runs on a PC-based CAVE-like architecture, offering a certain degree of interaction to the user, and combines static and dynamic computer-generated imagery, both with and without stereoscopy for 3D visualisation, as well as augmented virtuality techniques for the integration of the train with its environment.     

A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements

A cyclic CCK8 analogue, cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 (Dpr=L-2,3-diaminopropionic acid), has been designed on the basis of the NMR structure of the bimolecular complex between the N-terminal fragment of the CCK(A) receptor and its natural ligand CCK8. The conformational features of cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 have been determined by NMR spectroscopy in aqueous solution and in water containing DPC-d(38) micelles (DPC=dodecylphosphocholine). The structure of the cyclic peptide in aqueous solution is found to be in a relaxed conformation, with the backbone and Dpr29 side chain atoms making a planar ring and the N-terminal tripeptide extending approximately along the plane of this ring. In DPC/water, the cyclic peptide adopts a "boat-shaped" conformation, which is more compact than that found in aqueous solution. The cyclic constraint between the Dpr29 side chain and the CCK8 carboxyl terminus (Lys34) introduces a restriction in the backbone conformational freedom. However, the interaction of cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 with the micelles still plays an important role in the stabilisation of the bioactive conformation. A careful comparison of the NMR structure of the cyclic peptide in a DPC micelle aqueous solution with the structure of the rationally designed model underlines that the turn-like conformation in the Trp30-Met31 region is preserved, such that the Trp30 and Met31 side chains can adopt the proper spatial orientation to interact with the CCK(A) receptor. The binding properties of cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 to the N-terminal receptor fragment have been investigated by fluorescence spectroscopy in a micellar environment. Estimates of the apparent dissociation constant, K(d), were in the range of 70-150 nM, with a mean value of 120+/-27 nM. Preliminary nuclear medicine studies on cell lines transfected with the CCK(A) receptor indicate that the sulfated-Tyr derivative of cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 displaces the natural ligand with an IC(50) value of 15 microM.     

Key Parameters for Strength Control of Artificially Cemented Soils

Often, the use of traditional techniques in geotechnical engineering faces obstacles of economical and environmental nature. The addition of cement becomes an attractive technique when the project requires improvement of the local soil. The treatment of soils with cement finds application, for instance, in the construction of pavement base layers, in slope protection of earth dams, and as a support layer for shallow foundations. However, there are no dosage methodologies based on rational criteria as exist in the case of the concrete technology, where the water/cement ratio plays a fundamental role in the assessment of the target strength. This study therefore aims to quantify the influence of the amount of cement, the porosity and the moisture content on the strength of a sandy soil artificially cemented, as well as to evaluate the use of a water/cement ratio and a voids/cement ratio to assess its unconfined compression strength. A number of unconfined compression tests, triaxial compression tests, and measurements of matric suction were carried out. The results show that the unconfined compression strength increased linearly with the increase in the cement content and exponentially with the reduction in porosity of the compacted mixture. The change in moisture content also has a marked effect on the unconfined compression strength of mixtures compacted at the same dry density. It was shown that, for the soil-cement mixture in an unsaturated state (which is usual for compacted fills), the water/cement ratio is not a good parameter for the assessment of unconfined compression strength. In contrast, the voids/cement ratio, defined as the ratio between the porosity of the compacted mixture and the volumetric cement content, is demonstrated to be the most appropriate parameter to assess the unconfined compression strength of the soil-cement mixture studied.     

A theoretical model of dentinogenesis: Dentin and dentinal tubule formation

Introduction

Dentinogenesis, odontoblast dentin formation, includes dentinal growth, mineralization and dentinal tubule formation. Odontoblasts synthesize collagen resulting in collagen apposition contributing to dentinogenesis. Furthermore, within the tubule, they express non-collagenous proteins, such as dentin phosphoprotein (DPP), associated with hydroxyapatite crystal formation and growth. The aim of this work was to determine patterns of growth and dentin formation and quantification of its mineralization. Findings from our work are relevant to endodontics for future regenerative treatment.

Methods

We formulated a 3D domain mathematical model, which recreates the events that lead to dentinal tubule mineralization. As reference we used collagen apposition and DPP activity.

Results

We obtained a model depicting predentin's mineralization distribution during dentin development. Furthermore, we verified different DPP diffusion coefficients to test the model's sensitivity.

Conclusions

We present a model to shed light on the process of dentin and dentinal tubule formation, and its relation to diffusion and mineralization processes.