Phase-field approach to simulate BCC-B2 phase separation in the AlnCrFe2Ni2 medium-entropy alloy

Journal of Materials Science - Phase separation is a relevant mode of transformation for microstructure development in multicomponent alloys. Its occurrence can drastically alter the composition...     

On the existence and origin of sluggish diffusion in chemically disordered concentrated alloys

Concentrated single phase solid solutions, including medium- and high-entropy alloys, represent a new class of materials that have recently attracted significant interest due to exceptional functional and structural properties. Their fascinating properties are mainly attributed to the sluggish atomic-level diffusion and transport, but its controlling mechanisms are largely unknown and there is certain skepticism about its very existence. By using microsecond-scale molecular dynamics, on-the-fly and conventional kinetic Monte Carlo, we reveal the governing role of percolation effects and composition dependence of the vacancy migration energy in diffusion. Surprisingly, an increase of concentration of faster species (Fe) in face-centered cubic Ni-Fe alloy may decrease the overall atomic diffusion. Consequently, the composition dependence of tracer diffusion coefficient has a minimum near the site percolation threshold, ～20?at.%Fe. We argue that this coupled percolation and composition-dependent barriers for vacancy jumps within different subsystems in medium- and high-entropy alloys leads, indeed, to the sluggish diffusion. A fast method for preselecting materials with potentially desired properties is suggested.     

Use of photodegradable inhibitors in UV-curable compositions to form polymeric 2D-structures by visible light

The process of two-wave photopolymerization of a UV-curable composition with an optically degrading inhibitor is considered. By numerical simulation, it is shown that in the composition layer uniformly exposed to UV-radiation, such systems allow getting segments with different conversion under the action of inhomogeneous visible light. Based on the data on the photopolymerization kinetics of the compositions from triethylene glycol dimethacrylate (TEGDMA) and bisphenol-A glycidyl dimethacrylate (bis-GMA) with the UV-initiator 2,2-dimethoxy-2-phenylacetophenone (DMPA), it was shown that 3,5-di-tert-butyl-o-benzoquinone (35Q) with N,N-dimethylaniline (DMA, “Aldrich”, 99%) can serve as an inhibitor that degrades under action of visible radiation. Combining inhomogeneous visible light generated with a conventional DLP-projector and uniform UV-radiation of LED (365 nm) the two-wave lithographic process was implemented to create polymeric 2D-structures in 20 μm layer of the compositions from TEGDMA (70)/bis-GMA (30)/DMPA (0.05 wt%)/35Q (0.5 wt%)/DMA (1 wt%).     

Good-quality Long-term Forecast of Spring-summer Flood Runoff for Mountain Rivers

Water Resources Management - The universal simulation model was developed with the use of system-analytical modeling to ensure a long-term forecast of mountain river runoff during spring-summer...     

Special Important Aspects of the Thomson Effect

A comprehensive study of the mechanisms of heating and cooling originating from an electrical current in semiconductor devices is reported. The variation in temperature associated with the Peltier effect is not related to the presence of heat sources and sinks if the heat flux is correctly determined. The Thomson effect is commonly regarded as a heat source/sink proportional to the Thomson coefficient, which is added to the Joule heating. In the present work, we will show that this formulation of the Thomson effect is not sufficiently clear. When the heat flux is correctly defined, the Thomson heat source/sink is proportional to the Seebeck coefficient. In the conditions in which the Peltier effect takes place, the temperature gradient is created, and, consequently, the Thomson effect will occur naturally.     

Detection of RDX traces at the surface with sonic aerosol flow desorption

The use of a high-speed aerosol flow is proposed for sampling RDX from the surface followed by chromatographic analysis. The aerosol is generated from different solvents by means of a coaxial nebulizer. The effect of the aerosol flow parameters (solvent flowrate, an angle of the nebulizer inclination with respect to the surface) and various solvents (water, acetone, and hexane) on the efficiency of the RDX desorption was investigated. The optimal angle of the nebulizer was found to be 30°, under these conditions, the desorption of RDX from the surfaces of different structure (metal, glass, leather, cotton fabric, and paper) has also been studied. It is shown that under the action of an aerosol created using water and acetone, desorption from a smooth surface occurs most efficiently (1.5 times higher than with hexane). In this case, the sample removes almost completely (about 80%) by the aerosol flow in a few seconds. A relationship between the desorption efficiency and the amount of the solvent sprayed (that is the amount of aerosol particles in desorbing flow) has a characteristic maximum which location depends on the properties of the solvent spray. This effect is associated with a rate of solvent evaporation. Under optimal conditions for desorption of RDX from a smooth surface using an aqueous aerosol, an LOD of ～10?ng can be achieved. For porous and rough surfaces, the efficiency of the analyte desorption decreases (three times for leather and cotton fabric). The results of the experiments conducted allow one to conclude that the RDX solubility in the solvent used does not affect considerably the efficiency of the RDX desorption. It is assumed that small aerosol drops are very active and can capture the particles of the target analyte. This promotes the desorption of RDX molecules from the surface.

© 2018 American Association for Aerosol Research     

Optimising a modular expansion of a wastewater treatment plant

In the design of a wastewater treatment plant, engineers must estimate the future population that the plant will need to serve. When the population growth is uncertain, modular design can reduce up-front capital costs, operating costs and total expected present value costs. Models based on real option theory can provide insights to engineers/decision-makers that will not arise from standard net present value analysis. We consider a municipality faced with a plant expansion decision required to meet the demand of significant, uncertain growth. We present a model that optimises the size of the plant and its maximum modular size. The optimisation requires that multiple solutions be calculated at the decision time for the staged expansion. We utilise a moment matching technique to approximate the solution of the Asian-like option. The results show that as the uncertainty increases, a modular plant can save significant total costs for the municipality.     

Electrostatic Control of Structure in Self‐Assembled Membranes

Self‐assembling peptide amphiphiles (PAs) can form hierarchically ordered membranes when brought in contact with aqueous polyelectrolytes of the opposite charge by rapidly creating a diffusion barrier composed of filamentous nanostructures parallel to the plane of the incipient membrane. Following this event, osmotic forces and charge complexation template nanofiber growth perpendicular to the plane of the membrane in a dynamic self‐assembly process. In this work, we show that this hierarchical structure requires massive interfacial aggregation of PA molecules, suggesting the importance of rapid diffusion barrier formation. Strong PA aggregation is induced here through the use of heparin‐binding PAs with heparin and also with polyelectrolytes of varying charge density. Small angle X‐ray scattering shows that in the case of weak PA‐polyelectrolyte interaction, membranes formed display a cubic phase ordering on the nanoscale that likely results from clusters of PA nanostructures surrounded by polyelectrolyte chains.     

Constitutive Modeling of the Stacking Fault Energy-Dependent Deformation Behavior of Fe-Mn-C-(Al) TWIP Steels

The present article proposes a constitutive model that includes the stacking fault energy (SFE)-dependence of the deformation behavior of Fe-Mn-C-(Al) TWIP steels. The different kinetics of the SFE-dependent strain hardening of twinned and twin-free grains are accounted for. The high flow stress of TWIP steels investigated is attributed to the combined effect of a large fraction of twinned grains and a low dynamic recovery rate—both effects being associated with its lowest SFE.