A Computational Algorithm to Produce Virtual X-ray and Electron Diffraction Patterns from Atomistic Simulations

Electron and x-ray diffraction are well-established experimental methods used to explore the atomic scale structure of materials. In this work, a computational algorithm is developed to produce virtual electron and x-ray diffraction patterns directly from atomistic simulations. This algorithm advances beyond previous virtual diffraction methods by using a high-resolution mesh of reciprocal space that eliminates the need for a priori knowledge of the crystal structure being modeled or other assumptions concerning the diffraction conditions. At each point on the reciprocal space mesh, the diffraction intensity is computed via explicit computation of the structure factor equation. To construct virtual selected-area electron diffraction patterns, a hemispherical slice of the reciprocal lattice mesh lying on the surface of the Ewald sphere is isolated and viewed along a specified zone axis. X-ray diffraction line profiles are created by binning the intensity of each reciprocal lattice point by its associated scattering angle, effectively mimicking powder diffraction conditions. The virtual diffraction algorithm is sufficiently generic to be applied to atomistic simulations of any atomic species. In this article, the capability and versatility of the virtual diffraction algorithm is exhibited by presenting findings from atomistic simulations of 〈100〉 symmetric tilt Ni grain boundaries, nanocrystalline Cu models, and a heterogeneous interface formed between α-Al₂O₃ (0001) and γ-Al₂O₃ (111).     

A novel signaling nested reservation protocol for all-optical networks

This work proposes a new reservation protocol for enhancing the performance of wavelength-routed networks. To be more robust and reliable, the proposed approach employs distributed control mechanisms. The new method particularly focuses on wavelength-division multiplexed (WDM) core networks with distant end-nodes. It takes into account the considerable amount of data that can be transferred by high-speed WDM networks within limited reservation periods. To increase the throughput, the protocol consumes the unoccupied bandwidth of reservation phases by transferring nonreal-time data packets during these intervals. This scheme is implemented by applying a modified form of backward reservation protocol. To initiate a multihop reservation call, this protocol labels a path as reserved instead of locking it. Meanwhile, labeled nodes with single-hop requests will receive permission signals to send predetermined packet sizes. The length of packets transmitted is defined by the round-trip propagation delay between the current and the upcoming nodes along the path. In case a reservation fails, already labeled nodes will be notified by receiving a prevention signal, which will block them from transferring data packets.     

Efficient estimation of first passage probability of high-dimensional nonlinear systems

An efficient method for estimating low first passage probabilities of high-dimensional nonlinear systems based on asymptotic estimation of low probabilities is presented. The method does not require any a priori knowledge of the system, i.e. it is a black-box method, and has very low requirements on the system memory. Consequently, high-dimensional problems can be handled, and nonlinearities in the model neither bring any difficulty in applying it nor lead to considerable reduction of its efficiency. These characteristics suggest that the method is a powerful candidate for complicated problems. First, the failure probabilities of three well-known nonlinear systems are estimated. Next, a reduced degree-of-freedom model of a wind turbine is developed and is exposed to a turbulent wind field. The model incorporates very high dimensions and strong nonlinearities simultaneously. The failure probability of the wind turbine model is estimated down to very low values; this demonstrates the efficiency and power of the method on a realistic high-dimensional highly nonlinear system.     

Experimental study of attenuation coefficient of ultrasonic waves in concrete and plaster

This study has been dedicated to the determination and comparison of ultrasound attenuation coefficient in two kinds of frequently used masonry, namely concrete and plaster. The results of this investigation can be mainly applied for optimum acoustical designing of buildings which are exposed to high-power ultrasonic waves. Another expected benefit of this investigation is determining the possibility of using ultrasonic wave emissions for finding people who are buried under ruined building materials due to an earthquake. In this paper, the attenuation coefficient of 19.7 kHz ultrasonic waves are presented for nine different concrete specimens and three different plaster specimens. For this purpose, the amplitude of vibration speed of the back and frontal surfaces of the specimens were measured by a non-contact laser sensor while the front surface was actuated by a 200-W ultrasonic transducer. The variables of concrete were weight proportion between water and cement, weight proportion between course aggregate and fine aggregate, weight proportion of cement replaced with micro-silica, and the type of cement. The variable for plaster pieces was the weight proportion of water and plaster.     

Stochastic and chaotic sub- and superharmonic response of shallow cables due to chord elongations

The paper deals with the non-linear response of shallow cables driven by stochastically varying chord elongations caused by random vibrations of the supported structure. The chord elongation introduces parametric excitation in the linear stiffness terms of the modal coordinate equations, which are responsible for significant internal subharmonic and superharmonic resonances. Under harmonically varying support motions coupled ordered or chaotic in-plane and out-of-plane subharmonic and superharmonic periodic motions may take place. If the harmonically varying chord elongation is replaced by a zero-mean, stationary narrow-band random excitation with the same standard deviation and center frequency, qualitatively and quantitatively completely different modes of vibration are registered no matter how small the bandwidth of the excitation process is. Additionally, the stochastic excitation process tends to enhance chaotic behavior. Based on Monte Carlo simulation on a reduced non-linear two-degree-of freedom system the indicated effects have been investigated for stochastic subharmonic resonance of order 2:1, and stochastic superharmonic resonances of orders 1:2 and 2:3. By analyzing the responses for two chord elongation processes with almost identical auto-spectral density function, but completely different amplitudes, it is shown that the indicated qualitative and quantitative changes of the subharmonic resonance primarily are caused by the slowly varying phase of the stochastic excitation. The superharmonic stochastic responses are dominated by random jumps between a single mode in-plane and a coupled mode attractor, which are caused by the variation of the amplitude of the random excitation. Such jumps do not occur in the subharmonic response, because the single mode in-plane attractor is unstable.     

Plasma detection and control requirements for CO2 laser cutting

This paper reveals the underlying mechanisms for laser-induced plasma formation in fusion laser cutting of stainless steel and aluminium, by means of experimental observations, analytical calculations and FEA simulations. The camera-based monitoring system which has been developed and used for real-time plasma detection is explained, as well as the results achieved for different material/thickness/geometry combinations. Requirements for real-time plasma suppression control strategies are derived and the effectiveness of such control algorithm are illustrated.     

In situ preparation,electrospinning, and characterization of polyacrylonitrile nanofibers containing silver nanoparticles

Silver nanoparticles were prepared from a polyacrylonitrile (PAN)/N,N‐dimethylformamide solution of silver nitrate (0.05–0.5 wt %) with light treatment (xenon arc) to reduce Ag⁺ ions into Ag⁰. The formation of silver nanoparticles in the PAN solution and the effect of treatment time on the numbers of silver nanoparticles, their average diameter and size distribution were investigated by UV–visible spectroscopy. In addition, the average size of silver nanoparticles and their shapes in colloidal solution were determined by transmission electron microscopy images and found to be on the order of 10 nm. The resulting solution was electrospun into PAN nanofibers. An increase in the salt concentration led to decreases in the nanofiber diameter and bead numbers (determined by scanning electron microscopy images) and an increase in the crystallinity (confirmed by X‐ray diffraction patterns). A continuous rate of silver release from the nanofiber web was monitored by the atomic absorption technique. These nanofibers showed strong antibacterial activity against Pseudomonas aeruginosa. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2010