Multiscale, Multiphysics Numerical Modeling of Fusion Welding with Experimental Characterization and Validation

Various physical interfacial phenomena occur during the process of welding and influence the final properties of welded structures. As the features of such interfaces depend on physics that resolve at different spatial scales, a multiscale and multiphysics numerical modeling approach is necessary. In a collaborative research project Modeling of Interface Evolution in Advanced Welding, a novel strategy of model linking is employed in a multiscale, multiphysics computational framework for fusion welding. We only directly link numerical models that are on neighboring spatial scales instead of trying to link all submodels directly together through all available spatial scales. This strategy ensures that the numerical models assist one another via smooth data transfer, avoiding the huge difficulty raised by forcing models to attempt communication over many spatial scales. Experimental activities contribute to the modeling work by providing valuable input parameters and validation data. Representative examples of the results of modeling, linking and characterization are presented.     

Purification and separation of carbon nanocapsules as a magnetic carrier for drug delivery systems

Nanoparticles of iron carbides wrapped in multilayered graphitic sheets (carbon nanocapsules) were synthesized by electric plasma discharge in an ultrasonic cavitation field in liquid ethanol. The as-prepared material contained carbon nanocapsules but also included impurities such as amorphous carbon, graphite balls and flakes. These impurities must be removed to allow the development of applications for the carbon nanocapsules and, it is necessary to develop a suitable purification method to obtain samples of monodispersed carbon nanocapsules. Two purification methods were used. The first used a hydrogen peroxide solution and acid etching to remove the amorphous carbon and iron particles. These impurities were easily oxidized and dissolved in the solution and the graphite layers of the carbon nanocapsules were not damaged. The second used magnetic separation using permanent magnets to remove the graphite balls and flakes. Here, centrifugation was applied to separate the purified carbon nanocapsules around 100–200 nm in size.     

Complexes of Ir(III)-octaethylporphyrin with peptides as probes for sensing cellular O2

Ir(III)-porphyrins are a relatively new group of phosphorescent dyes that have potential for oxygen sensing and labeling of biomolecules. The requirement of two axial ligands for the Ir(III) ion permits simple linkage of biomolecules by a one-step ligand-exchange reaction, for example, using precursor carbonyl chloride complexes and peptides containing histidine residue(s). Using this approach, we produced three complexes of Ir(III)-octaethylporphyrin with cell-penetrating (Ir1 and Ir2) and tumor-targeting (Ir3) peptides and studied their photophysical properties. All of the complexes were stable and possessed bright, long-decay (unquenched lifetimes exceeding 45 μs) phosphorescence at around 650 nm, with moderate sensitivity to oxygen. The Ir1 and Ir2 complexes showed positive staining of a number of mammalian cell types, thus demonstrating localization similar to endoplasmic reticulum and ATP- and temperature-independent intracellular accumulation (direct translocation mechanism). Their low photo- and cytotoxicity allows intracellular oxygen to be probed.     

Nanoporous artificial proboscis for probing minute amount of liquids

We describe a method of fabrication of nanoporous flexible probes which work as artificial proboscises. The challenge of making probes with fast absorption rates and good retention capacity was addressed theoretically and experimentally. This work shows that the probe should possess two levels of pore hierarchy: nanopores are needed to enhance the capillary action and micrometer pores are required to speed up fluid transport. The model of controlled fluid absorption was verified in experiments. We also demonstrated that the artificial proboscises can be remotely controlled by electric or magnetic fields. Using an artificial proboscis, one can approach a drop of hazardous liquid, absorb it and safely deliver it to an analytical device. With these materials, the paradigm of a stationary microfluidic platform can be shifted to the flexible structures that would allow one to pack multiple microfluidic sensors into a single fiber.     

Extraction of biologically active compounds from Sideritis ssp. L.

In this study extraction of polyphenols and flavonoids from cultivated hybrid Sideritis scardica × Sideritis syriaca, known for its rich content of phenolics and flavonoids with antioxidant activity, was investigated. Extractions have been done by ethanol and water-ethanol, respectively. High equilibrium values of the extracted species were obtained—17.55 mg/(g solid) total phenolics and 5.7 mg/(g solid) total flavonoids with ethanol as solvent. The influence of the solvent on the total yield and the content of biologically active compounds were studied. Maximum polyphenolics and flavonoids extraction was observed for water-ethanol solvent ratio 20/80. Increase of the content of ethanol in the solvents led to lower total yield of extracts but higher percentage of polyphenolics. The extraction kinetics showed that 90% of the phenolic compounds were extracted during the first 2.5 h. The experimental kinetics was described by a constant effective diffusion coefficient D_e = 1.5 × 10⁻¹² m²/s in the solid, accounting for the actual particle size distribution.     

Review of solar dryers for agricultural and marine products

Drying for agricultural and marine products are one of the most attractive and cost-effective application of solar energy. Numerous types of solar dryers have been designed and developed in various parts of the world, yielding varying degrees of technical performance. Basically, there are four types of solar dryers; (1) direct solar dryers, (2) indirect solar dryers, (3) mixed-mode dryers and (4) hybrid solar dryers. This paper is a review of these types of solar dryers with aspect to the product being dried, technical and economical aspects. The technical directions in the development of solar-assisted drying systems for agricultural produce are compact collector design, high efficiency, integrated storage, and long-life drying system. Air-based solar collectors are not the only available systems. Water-based collectors can also be used whereby water to air heat exchanger can be used. The hot air for drying of agricultural produce can be forced to flow in the water to air heat exchanger. The hot water tank acts as heat storage of the solar drying system.     

Structure–Transport Correlation Reveals Anisotropic Charge Transport in Coupled PbS Nanocrystal Superlattices

The assembly of colloidal semiconductive nanocrystals into highly ordered superlattices predicts novel structure-related properties by design. However, those structure–property relationships, such as charge transport depending on the structure or even directions of the superlattice, have remained unrevealed so far. Here, electric transport measurements and X-ray nanodiffraction are performed on self-assembled lead sulfide nanocrystal superlattices to investigate direction-dependent charge carrier transport in microscopic domains of these materials. By angular X-ray cross-correlation analysis, the structure and orientation of individual superlattices is determined, which are directly correlated with the electronic properties of the same microdomains. By that, strong evidence for the effect of superlattice crystallinity on the electric conductivity is found. Further, anisotropic charge transport in highly ordered monocrystalline domains is revealed, which is attributed to the dominant effect of shortest interparticle distance. This implies that transport anisotropy should be a general feature of weakly coupled nanocrystal superlattices.     

Directed Emission from Self‐Assembled Microhelices

Bottom‐up assembly can organize simple building blocks into complex architectures for light manipulation. The optical properties of self‐assembled polycrystalline barium carbonate/silica double helices are studied using fluorescent Fourier and Mueller matrix microscopy. Helices doped with fluorescein direct light emission along the long axis of the structure. Furthermore, light transmission measured normal and parallel to the long axis exhibits twist sense‐specific circular retardance and waveguiding, respectively, although the measurements suffer from depolarization. The helices thus integrate highly directional emission with enantiomorph‐specific polarization. This optical response emerges from the arrangement of nanoscopic mineral crystallites in the microscopic helix, and demonstrates how bottom‐up assembly can achieve ordering across multiple length scales to form complex functional materials.