A mixed-variable continuously deforming finite element method for parabolic evolution problems. Part III: Numerical implementation and computational results

In Part I of this paper,¹ the conceptual framework of a rate variational least squares formulation of a continuously deforming mixed-variable finite element method was presented for solving a single evolution equation. In Part II² a system of ordinary differential equations with respect to time was derived for solving a system of three coupled evolution equations by the deforming grid mixed-variable least squares rate variational finite element method. The system of evolution equations describes the coupled heat flow, fluid flow and trace species transport in porous media under conditions when the flow velocities and constituent phase transitions induce sharp fronts in the solution domain. In this paper, we present the method we have adopted to integrate with respect to time the resulting spatially discretized system of non-linear ordinary differential equations. Next, we present computational results obtained using the code in which this deforming mixed finite element method was implemented. Because several features of the formulation are novel and have not been previously attempted, the problems were selected to exercise these features with the objective of demonstrating that the formulation is correct and that the numerical procedures adopted converge to the correct solutions.     

Pulsed laser reshaping and fragmentation of upconversion nanoparticles — from hexagonal prisms to 1D nanorods through “Medusa”-like structures

One dimensional (1D) nanostructures attract considerable attention, enabling a broad application owing to their unique properties. However, the precise mechanism of 1D morphology attainment remains a matter of debate. In this study, ultrafast picosecond (ps) laser-induced treatment on upconversion nanoparticles (UCNPs) is offered as a tool for 1D-nanostructures formation. Fragmentation, reshaping through recrystallization process and bioadaptation of initially hydrophobic (β-Na_1.5Y_1.5F₆: Yb³⁺, Tm³⁺/β-Na_1.5Y_1.5F₆) core/shell nanoparticles by means of one-step laser treatment in water are demonstrated. “True” 1D nanostructures through “Medusa”-like structures can be obtained, maintaining anti-Stokes luminescence functionalities. A matter of the one-dimensional UCNPs based on direction of energy migration processes is debated. The proposed laser treatment approach is suitable for fast UCNP surface modification and nano-to-nano transformation, that open unique opportunities to expand UCNP applications in industry and biomedicine.

     

Influence of slip length on filtration performance of fine particles

Fine particle filtration has been known to become progressively inefficient as the filter cake builds up owing to restricted movement of liquid through the small cavities formed in the cake. In different chemical industries, this restricts higher throughput rates and also results in higher transportation costs due to increase in moisture content. This paper discusses the influence of using a surfactant, DAH (dodecylamine hydrochloride), in enhancing the filtration rate of a finely ground particles and the reduction of moisture content in the cake. The observed enhanced filtration rate has been attributed to a reduction in the resistance to liquid flow due to the increase in hydrophobicity at the particle surface. The resulting enhanced filtration rate has been modelled by superimposing a slip velocity at the boundary of the capillaries formed in the cake. The model evaluates the cake and medium resistances by incorporating a slip length into the filtration equation which varies with the concentration of hydrophobic reagent and the effective size of capillaries. The increase in filtration rate is more pronounced for finer particle slurries. Also, it has been observed that the moisture content of the filter cakes formed was reduced.     

Investigation of the rotary swaging and heat treatment on the behavior of W- and γ-phases in PM 92.5W–5Ni–2.5Fe–0.26Co heavy alloy

The effects of rotary swaging and different heat treatment procedures on the W- and γ-phases behavior of PM 92.5W–5Ni–2.5Fe (wt.%) heavy alloy microalloyed with cobalt have been studied. The investigation was performed on sintered and cold rotary swaged samples deformed with area reduction from 5 to 30%. One batch of swaged samples was annealed in vacuum at 1473 K for 7.2 ks and then furnace-cooled to the room temperature, whereas another batch of swaged samples was previously deformed 30% and strain aged in argon and nitrogen in the temperature range between 473 and 1123 K for 3.6 ks. Strengthening of W- and γ-phases was investigated by applying microhardness measurements. Effects of the degree of deformation, parameters of heat treatment and strain aging on microstructural changes have been studied. Mechanical properties, hardness and microhardness of phases as a function of the degree of deformation and heat treatment were analyzed by applying statistical modeling. A correlation between deformation behavior of phases, effect of heat treatment and alloy properties was also discussed.     

Combined in situ atomic force microscopy-infrared-attenuated total reflection spectroscopy

The combination of atomic force microscopy (AFM) with infrared attenuated total reflection (IR-ATR) spectroscopy for simultaneous spectroscopic evanescent field absorption and scanning probe measurements is presented. The capabilities of the combined setup are demonstrated by in situ AFM imaging of the dissolution process of urea in a cyclohexane/butanol solution with nanometer topographical resolution, while simultaneously recording the correlated bulk spectral changes by mid-infrared evanescent field absorption spectroscopy. Hence, surface modification processes such as dissolution or deposition can be simultaneously monitored by AFM imaging and IR spectroscopy in liquid environments, which has not been demonstrated to date. This combined technique will in the future enable kinetic studies on physical, chemical, and biological processes at a wide variety of surfaces providing chemical specificity via IR spectroscopy in addition to high-resolution imaging via AFM.     

Gold nanorods with a hematoporphyrin-loaded silica shell for dual-modality photodynamic and photothermal treatment of tumors in vivo

Nanocomposites （NCs） consisting of a gold nanorod core and a mesoporous silica shell doped with hematoporphyrin （HP） have been fabricated in order to improve the efficiency of cancer treatment by combining photothermal and photodynamic therapies （PDT ＋ PTT） in vivo. In addition to the long-wavelength plasmon resonance near 810-830 nm, the fabricated NCs exhibited a 400-nm absorbance peak corresponding to bound HP, generated singlet oxygen under 633-nm excitation near the 632.5-nm Q-band, and produced heat under a 808-nm near-infrared （NIR） laser irradiation. These modalities were used for a combined PDT ＋ PTT treatment of large （about 3 cm3） solid tumors in vivo with a xenorafted tumor rat model. NCs were directly injected into tumors and irradiated simultaneously with 633-nm and 808-nm lasers to stimulate the combined photodynamic and photothermal activities of NCs. The efficiency of the combined therapy was evaluated by optical coherence tomography, histological analysis, and by measurements of the tumor volume growth during a 21-day period. The NC-mediated PDT led to weak changes in tissue histology and to a moderate 20% decrease in the tumor volume. In contrast, the combined PDT ＋ PTT treatment resulted in the large-area tumor necrosis and led to dramatic decrease in the tumor volume.     

Blockchain-oriented dynamic modelling of smart contract design and execution in the supply chain

Recently, the applications of Blockchain technology have begun to revolutionise different aspects of supply chain (SC) management. Among others, Blockchain is a platform to execute the smart contracts in the SC as transactions. We develop and test a new model for smart contract design in the SC with multiple logistics service providers and show that this problem can be presented as a multi-processor flexible flow shop scheduling. A distinctive feature of our approach is that the execution of physical operations is modelled inside the start and completion of cyber information services. We name this modelling concept ‘virtual operation’. The constructed model and the developed experimental environment constitute an event-driven dynamic approach to task and service composition when designing the smart contract. Our approach is also of value when considering the contract execution stage. The use of state control variables in our model allows for operations status updates in the Blockchain that in turn, feeds automated information feedbacks, disruption detection and control of contract execution. The latter launches the re-scheduling procedure, comprehensively combining planning and adaptation decisions within a unified methodological framework of dynamic control theory. The modelling complex developed can be used to design and control smart contracts in the SC.     

Trifluoromethylation of [60]- and [70]Fullerene in the Ionization Chamber of a Mass Spectrometer

Abstract

Both [60]- and [70]fullerene react with either the Scherer radical (perfluorodiisopropylethylmethyl, C₉F₁₉), a mixture of branched perfluorononenes (C₉F₁₈, the product of hexafluoropropene trimerization), or β-fluorosulphatotetrafluoroethyldiheptafluoroisopropylmethyl radical (C₉F₁₈OSO₂F) in the ionization chamber of a mass spectrometer to give the positive parent ions of trifluoromethylation products, the reaction being accompanied by hydrogen addition. The reaction occurs at least partly on the walls of the ionization chamber, by a radical mechanism employing CF₃ radicals formed from the radical reactants both thermally and under electron impact; only the latter route occurs with the perfluorononenes.     

Focusing of Novosibirsk Free Electron Laser (NovoFEL) radiation into paraxial segment

Abstract

We demonstrate results of studies of a silicon binary diffractive optical element (DOE) focusing a terahertz laser Gaussian beam into a paraxial segment. The characteristics of the DOE were examined on a Novosibirsk Free Electron Laser beam of 141-μm wavelength.