Prediction Of Morphological Changes Research Articles

Simulation of the Void Shape Evolution of High-Temperature Annealed Silicon Structures by means of a Custom Level-Set Formulation

The control and prediction of morphological changes in annealed void microstructures is an essential and powerful tool for different semiconductor applications, for example, as part of the production of pressure sensors, resonators, or other silicon structures. In this work, with a focus on the void shape evolution of silicon, a novel simulation approach based on the level-set method is introduced to predict the continuous transformation of initial etched nano/micro-sized cylindrical structures at different annealing conditions. The developed model, which is based on a surface diffusion formulation and built in COMSOL Multiphysics® (Stockholm, Sweden), is introduced and compared to experimental literature data as well as with other analytical approaches. Some advantages of the presented model include the capability of simulating other materials under similar phenomena, the simulation of any possible initial geometry, and the visualization of intermediate steps during the annealing processing.

Reproducibility of the computational fluid dynamic analysis of a cerebral aneurysm monitored over a decade

Computational fluid dynamics (CFD) simulations are increasingly utilised to evaluate intracranial aneurysm (IA) haemodynamics to aid in the prediction of morphological changes and rupture risk. However, these models vary and differences in published results warrant the investigation of IA-CFD reproducibility. This study aims to explore sources of intra-team variability and determine its impact on the aneurysm morphology and CFD parameters. A team of four operators were given six sets of magnetic resonance angiography data spanning a decade from one patient with a middle cerebral aneurysm. All operators were given the same protocol and software for model reconstruction and numerical analysis. The morphology and haemodynamics of the operator models were then compared. The segmentation, smoothing factor, inlet and outflow branch lengths were found to cause intra-team variability. There was 80% reproducibility in the time-averaged wall shear stress distribution among operators with the major difference attributed to the level of smoothing. Based on these findings, it was concluded that the clinical applicability of CFD simulations may be feasible if a standardised segmentation protocol is developed. Moreover, when analysing the aneurysm shape change over a decade, it was noted that the co-existence of positive and negative values of the wall shear stress divergence (WSSD) contributed to the growth of a daughter sac.

Cation Doping Approach for Nanotubular Hydrosilicates Curvature Control and Related Applications

The past two decades have been marked by an increased interest in the synthesis and the properties of geoinspired hydrosilicate nanoscrolls and nanotubes. The present review considers three main representatives of this group: halloysite, imogolite and chrysotile. These hydrosilicates have the ability of spontaneous curling (scrolling) due to a number of crystal structure features, including the size and chemical composition differences between the sheets, (or the void in the gibbsite sheet and SiO2 tetrahedron, in the case of imogolite). Mineral nanoscrolls and nanotubes consist of the most abundant elements, like magnesium, aluminium and silicon, accompanied by uncontrollable amounts of impurities (other elements and phases), which hinder their high technology applications. The development of a synthetic approach makes it possible to not only to overcome the purity issues, but also to enhance the chemical composition of the nanotubular particles by controllable cation doping. The first part of the review covers some principles of the cation doping approach and proposes joint criteria for the semiquantitative prediction of morphological changes that occur. The second part focuses on some doping-related properties and applications, such as morphological control, uptake and release, magnetic and mechanical properties, and catalysis.

Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling.

In this article, we couple microkinetic modelling, ab initio thermodynamics and Wulff-Kaishew construction to describe the structural variation of catalyst materials as a function of the chemical potential in the reactor. We focus specifically on experiments of catalytic partial oxidation (CPO) of methane on Rh/α-Al2O3. We employ a detailed structureless microkinetic model to calculate the profiles of the gaseous species molar fractions along the reactor coordinate and to select the most abundant reaction intermediates (MARIs) populating the catalyst surfaces in different zones of the reactor. Then, we calculate the most stable bulk and surface structures of the catalyst under different conditions of the reaction environment with density functional theory (DFT) calculations and ab initio thermodynamics, considering the presence of the MARIs on the catalyst surface in thermodynamic equilibrium with the partial pressures of their reservoirs in the gas phase surrounding the catalyst. Finally, we exploit the Wulff-Kaishew construction method to estimate the three-dimensional shape of the catalyst nanoparticles and the distribution of the active sites along the reactor coordinate. We find that the catalyst drastically modifies its morphology during CPO reaction by undergoing phase transition, in agreement with spectroscopy studies reported in the literature. The framework is also successfully applied for the analysis and interpretation of chemisorption experiments for catalyst characterization. These results demonstrate the crucial importance of rigorously accounting for the structural effect in microkinetic modeling simulations and pave the way towards the development of structure-dependent microkinetic analysis of catalytic processes.

Simulation and control of morphological changes due to dam removal in the Sandy River, Oregon, USA

Abstract. A one-dimensional channel evolution simulation model (CCHE1D) is applied to assess morphological changes in a reach of the Sandy River, Oregon, USA, due to the Marmot Dam removal in 2007. Sediment transport model parameters (e.g. sediment transport capacity, bed roughness coefficient) were calibrated using observed bed changes after the dam removal. The validated model is then applied to assess long-term morphological changes in response to a 10-year hydrograph selected from historical storm water records. The long-term assessment of sedimentation gives a reasonable prediction of morphological changes, expanding erosion in reservoir and growing deposition immediately downstream of the dam site. This prediction result can be used for managing and planning river sedimentation after dam removal. A simulation-based optimization model is also applied to determine the optimal sediment release rates during dam-removal that will minimize the morphological changes in the downstream reaches.

Island development impacts on the Nile River morphology

The greater Cairo area has many islands formed after the Aswan High Dam construction. Ministry of water resources and irrigation is interested in studying the development and evolution of these islands in order to reflect the esthetic aspects and improvement of the environment surrounding the islands. This study focuses on Shubra El-Khaima Island which is located upstream Delta Barrage in the back water curve region. The study aims to propose different alternatives for island development. GSTAR3.0 model is the most recent version of a series of numerical models for simulating flow of water and sediment transport and prediction of morphological changes in alluvial rivers. This model was used to simulate and examine different alternatives for Shubra island development on river morphology according to different discharges scenarios. The optimum alternative was proposed. Also, the future required precautions to mitigate the effects of this development on the stability of watercourse were suggested.