The structural correlation and mechanical properties in amorphous hafnium oxide under pressure

The classical molecular dynamics (MD) technique was used to investigate the atomistic structure of amorphous hafnium oxide (HfO2) under pressure. The local atomic structure and the liquid-solid transition of HfO2 were analyzed for the pair radical distribution functions, bond angle distributions and coordination number. The simulation reveals that although the fractions of structural units HfO[Formula: see text] and OHf[Formula: see text] strongly change with the density, the partial bond angle distributions of these structural units are almost identical for all constructed models. This result has enabled us to establish a relationship between the bond angle distributions and the fractions of structural units.

Numerical and Experimental Study of Geometry Effects on Fuel/Air Mixing and Combustion Characteristics of a DLN Burner

Swirling flow is widely used in gas turbine burners to promote fuel/air mixing uniformity and to stabilize lean premixed flames. In this study, numerical and experimental methods are utilized to investigate the effects of burner geometry on fuel/air mixing and combustion performance and to optimize the burner geometry. The premixed burner geometry parameters including air swirling angle and fuel injection diameter/angle are modified to achieve fuel/air mixture uniformity. Laser Doppler Velocimetry (LDV) and Particle Image Velocimetry (PIV) are adopted to examine the flow field, Planar Laser Induced Fluorescence (PLIF) for detecting OH radical distribution thus investigating the characteristics of the reaction field. Burners of different configurations are manufactured to conduct combustion experiments. The burner with the worst mixing performance can‘t ignite successfully. However, burners with better mixing performance have a homogeneous reaction field with less perturbance, and the NOX emission stays at a relatively low level around 2.5 ppm (15% O2) at the designed operating condition.

In Situ Investigation of Dynamic Silver Crystallization Driven by Chemical Reaction and Diffusion

Rational synthesis of materials is a long-term challenging issue due to the poor understanding on the formation mechanism of material structure and the limited capability in controlling nanoscale crystallization. The emergent in situ electron microscope provides an insight to this issue. By employing an in situ scanning electron microscope, silver crystallization is investigated in real time, in which a reversible crystallization is observed. To disclose this reversible crystallization, the radicals generated by the irradiation of electron beam are calculated. It is found that the concentrations of radicals are spatiotemporally variable in the liquid cell due to the diffusion and reaction of radicals. The fluctuation of the reductive hydrated electrons and the oxidative hydroxyl radicals in the cell leads to the alternative dominance of the reduction and oxidation reactions. The reduction leads to the growth of silver crystals while the oxidation leads to their dissolution, which results in the reversible silver crystallization. A regulation of radical distribution by electron dose rates leads to the formation of diverse silver structures, confirming the dominant role of local chemical concentration in the structure evolution of materials.

Multiple Fano Resonances with Tunable Electromagnetic Properties in Graphene Plasmonic Metamolecules

Multiple Fano resonances (FRs) can be produced by destroying the symmetry of structure or adding additional nanoparticles without changing the spatial symmetry, which has been proved in noble metal structures. However, due to the disadvantages of low modulation depth, large damping rate, and broadband spectral responses, many resonance applications are limited. In this research paper, we propose a graphene plasmonic metamolecule (PMM) by adding an additional 12 nanodiscs around a graphene heptamer, where two Fano resonance modes with different wavelengths are observed in the extinction spectrum. The competition between the two FRs as well as the modulation depth of each FR is investigated by varying the materials and the geometrical parameters of the nanostructure. A simple trimer model, which emulates the radical distribution of the PMM, is employed to understand the electromagnetic field behaviors during the variation of the parameters. Our proposed graphene nanostructures might find significant applications in the fields of single molecule detection, chemical or biochemical sensing, and nanoantenna.

Radical theory of hydride atomization confirmed after four decades – determination of H radicals in a quartz hydride atomizer by two-photon absorption laser-induced fluorescence

The knowledge of hydrogen radical distribution opens a way to an elegant and straightforward optimization of hydride atomizers.

Effects of non-catalytic surface reactions on the CH4–air premixed flame within micro-channels

By means of numerical simulation, this paper presents the effects of non-catalytic surface reactions on flame temperature distribution and radical distribution within a 2D micro planar channel.