Parameter estimation for a morphochemical reaction-diffusion model of electrochemical pattern formation

The process of electrodeposition can be described in terms of a reaction-diffusion partial differential equation (PDE) system that models the dynamics of the morphology profile and the chemical composition. Here we fit such a model to the different patterns present in a range of electrodeposited and electrochemically modified alloys using PDE constrained optimization. Experiments with simulated data show how the parameter space of the model can be divided into zones corresponding to the different physical patterns by examining the structure of an appropriate cost function. We then use real data to demonstrate how numerical optimization of the cost function can allow the model to fit the rich variety of patterns arising in experiments. The computational technique developed provides a potential tool for tuning experimental parameters to produce desired patterns.     

Research on phase shift characteristics of electromagnetic wave in plasma

The phase shift characteristics reflect the state change of electromagnetic wave in plasma sheath and can be used to reveal deeply the action mechanism between electromagnetic wave and plasma sheath. In this paper, the phase shift characteristics of electromagnetic wave propagation in plasma were investigated. Firstly, the impact factors of phase shift including electron density,collision frequency and incident frequency were discussed. Then, the plasma with different electron density distribution profiles were employed to investigate the influence on the phase shift characteristics. In a real case, the plasma sheath around the hypersonic vehicle will affect and even break down the communication. Based on the hypersonic vehicle model, we studied the electromagnetic wave phase shift under different flight altitude, speed, and attack angle. The results indicate that the phase shift is inversely proportional to the flight altitude and positively proportional to the flight speed and attack angle. Our work provides a theoretical guidance for the further research of phase shift characteristics and parameters inversion in plasma.     

Stabilization of 6H-Hexagonal SrMnO3 Polymorph by Al2O3 insertion

We demonstrate the structural evolution of polymorphic phases in Al₂O₃-inserted SrMnO₃ ceramics synthesized by solid state reaction. While the 4H-hexagonal phase is predominant in pure SrMnO₃ ceramics, a small amount of 6H-hexagonal polymorph is identified in addition to the primary 4H-hexagonal SrMnO₃ and the secondary hexagonal SrAl₂O₄ phases in the as-sintered ceramics, evidenced by x-ray diffraction and subsequent Rietveld refinement analyses. The existence of the 6H-hexagonal SrMnO₃ phase is corroborated using Raman spectroscopy. The chemical compositions and electronic structures of the Al₂O₃-inserted SrMnO₃ compounds are also examined using energy dispersive spectroscopy and x-ray photoelectron spectroscopy, respectively. The first-principles calculations reveal that there is no clear difference between the total energies of 4H- and 6H-hexagonal polymorphs regardless of the presence/absence of Sr and oxygen vacancies. Possible origins are discussed with the estimation of actual strain based on the refined lattice parameter of 6H SrMnO₃.     

Probing the degenerate pattern growth of {100}<011> orientation in a directionally solidified Al-4.5 wt% Cu alloy

Degenerate pattern is a seemingly disordered morphology but it exhibits the inherently ordered crystal connected with tip-splitting and limited stability which makes it difficult to observe in the metallic system. Here we employ (100)[011] orientated planar-front seeds using directional solidification and reveal the fundamental origins of the degenerate pattern growth in an Al-4.5 wt% Cu alloy. We find that the spacing of the tip-splitting (λ) in the degenerate of the alloys followed a power law, λ∝V^−0.5, and the frequency (f) of the splitting was related to the growth velocity (V) by ƒ∝V^1.5. The dimensionless growth direction (θ/θ₀) increased monotonously and approached 0.6 with faster velocity, attributed to its anisotropy in the interface kinetics. Once growth velocity exceeded a threshold, two types of pattern transitions from degenerate to regular dendrites were proposed. One of them exhibited a random and chaotic mode and the other underwent a rotation in growth direction.     

Computational modelling of water flow inside laboratory Knelson concentrator bowl

Enhanced gravity concentrators such as Knelson concentrator (KC) are extensively used in the mineral processing industry. The complexities of KC bowl geometry and variation of feed characteristics have forced process engineers to design empirically new units using laboratory and pilot-scale Knelson concentrators. However, numerical modelling methods such as computational fluid dynamics (CFD) and discrete element method (DEM) provide a better insight of flow behaviour of fluid and particulate solid phases inside these processing units. This article reports findings of CFD simulations for single-phase water flow inside the laboratory KC. An available standard 7.5-cm laboratory KC bowl was numerically simulated using realisable k-ε turbulence model to resolve the turbulence dispersion of existing transitional flow regime. The effects of relative centrifugal force (RCF) intensity and bed fluidisation water flow rate on the water velocity and pressure distributions were studied. Simulations confirmed the swirling flow pattern governing inside the bowl. The results revealed that the impact of RCF intensity on the water field values is greater than that of bed fluidisation water flow rate. Both velocity and pressure variations inside the bowl rings followed a linear trend.     

Magnetic Nanoparticle Arrays Self-Assembled on Perpendicular Magnetic Recording Media

We study magnetic-field directed self-assembly of magnetic nanoparticles onto templates recorded on perpendicular magnetic recording media, and quantify feature width and height as a function of assembly time. Feature widths are determined from Scanning Electron Microscope (SEM) images, while heights are obtained with Atomic Force Microscopy (AFM). For short assembly times, widths were ~150 nm, while heights were ~14 nm, a single nanoparticle on average with a 10:1 aspect ratio. For long assembly times, widths approach 550 nm, while the average height grows to 3 nanoparticles, ~35 nm; a 16:1 aspect ratio. We perform magnetometry on these self-assembled structures and observe the slope of the magnetic moment vs. field curve increases with time. This increase suggests magnetic nanoparticle interactions evolve from nanoparticle–nanoparticle interactions to cluster–cluster interactions as opposed to feature–feature interactions. We suggest the aspect ratio increase occurs because the magnetic field gradients are strongest near the transitions between recorded regions in perpendicular media. If these gradients can be optimized for assembly, strong potential exists for using perpendicular recording templates to assemble complex heterogeneous materials.     

Coupling in situ experiments and modeling – Opportunities for data fusion,machine learning,and discovery of emergent behavior

This paper reviews recent studies, that not only includes both experiments and modeling components, but celebrates a close coupling between these techniques, in order to provide insights into the plasticity and failure of polycrystalline metals. Examples are provided of studies across multiple-scales, including, but not limited to, density functional theory combined with atom probe tomography, molecular dynamics combined with in situ transmission electron miscopy, discrete dislocation dynamics combined with nanopillars experiments, crystal plasticity combined with digital image correlation, and crystal plasticity combined with in situ high energy X-ray diffraction. The close synergy between in situ experiments and modeling provides new opportunities for model calibration, verification, and validation, by providing direct means of comparison, thus removing aspects of epistemic uncertainty in the approach. Further, data fusion between in situ experimental and model-based data, along with data driven approaches, provides a paradigm shift for determining the emergent behavior of deformation and failure, which is the foundation that underpins the mechanical behavior of polycrystalline materials.     

Enhanced graphitic domains of unreduced graphene oxide and the interplay of hydration behaviour and catalytic activity

Previous studies indicate that the properties of graphene oxide (GO) can be significantly improved by enhancing its graphitic domain size through thermal diffusion and clustering of functional groups. Remarkably, this transition takes place below the decomposition temperature of the functional groups and thus allows fine tuning of graphitic domains without compromising with the functionality of GO. By studying the transformation of GO under mild thermal treatment, we directly observe this size enhancement of graphitic domains from originally ≤40 nm² to >200 nm² through an extensive transmission electron microscopy (TEM) study. Additionally, we confirm the integrity of the functional groups during this process by a comprehensive chemical analysis. A closer look into the process confirms the theoretical predicted relevance for the room temperature stability of GO and the development of the composition of functional groups is explained with reaction pathways from theoretical calculations. We further investigate the influence of enlarged graphitic domains on the hydration behaviour of GO and the catalytic performance of single atom catalysts supported by GO. Additionally, we show that the sheet resistance of GO is reduced by several orders of magnitude during the mild thermal annealing process.     

Flow pattern identification and measurement techniques in gas-liquid-liquid three-phase flow: A review

The simultaneous flow of gas, oil, and water forms various flow patterns due to the complex interfacial relationships. Three-phase flow patterns are classified as the gas-liquid and liquid-liquid flow patterns. Pressure drop, void fraction, liquid holdup, and phase distribution are important characteristics of the three-phase flow. These characteristics are generally associated with the three-phase flow patterns. Hence, the knowledge about flow patterns can help to predict the overall behavior of the three-phase flow. Studies have been conducted to identify three-phase flow pattern and their characteristics at various superficial velocities of gas, oil, and water. The major purpose of the studies is to gather information about the three-phase co-current flow and use it for improvement of the efficiency of the flow systems. Therefore, the accuracy of the measurement technique is critical. Several types of flow pattern identification and measurement techniques have been developed to improve accuracy and provide high-quality results. In this article, classical and advanced techniques used for the three-phase flow identification and measurement have been reviewed. The survey will help the researchers working in the area of multiphase flow to choose the right technique based on the objectives of the studies.