Hybrid versus global thermostatting in molecular-dynamics simulation of methane-hydrate crystallisation

Molecular-dynamics(MD)simulations have been performed for the growth of a spherical methane-hydrate nano-crystallite,surrounded by a supersaturated water–methane liquid phase,using both a hybrid and globalsystem thermostatting approach.It was found that hybrid thermostatting led to more sluggish growth and the establishment of a radial temperature profile about the spherical hydrate crystallite,in which the growing crystal phase is at a higher temperature than the surrounding liquid phase in the interfacial region,owing to latent-heat dissipation.In addition,Onsager’s-hypothesis fluctuation–dissipation analysis of fluctuations in the number of crystal-state water molecules at the interface shows slower growth.

First Order Phase Transitions as Radiation Processes, Part Two

This paper presents new experimental results concerning the PeTa effect—infrared characteristic radiation under first order phase transitions, especially during deposition and condensation of vapours/gases and the crystallisation of melts. The abbreviation “PeTa effect” means Perel’man-Tatartchenko’s effect. The nature of the PeTa effect is transient radiation that a particle (i.e., atom, molecule or/and cluster) emits during a transition from a meta-stable higher energetic level (in a super-cooled melt or super-saturated vapour) to the stable condensed lower level (in a crystal or liquid). The radiation removes latent heat with photons of characteristic frequencies that are generated under this transition. This paper is the second in a set describing the appearance of PeTa radiation under air cooling with deposition and condensation of air components. The radiation was recorded using an IR Fourier Spectrometer with a highly sensitive MCT detector. Certain peculiarities of the recorded radiation as well as its applications in the physics of the atmospheres of Earth and Jupiter are analysed.

Preparation of microparticles and nanoparticles using membrane-assisted dispersion,micromixing,and evaporation processes

Synthetic microporous membranes are increasingly used for energy-efficient and controlled production of micro-and nanoparticles and micro-and nanoemulsions with tuneable morphology and physico-chemical properties through various micromixing,emulsification,and evaporation processes.In emul-sification processes,the membrane pores are used for dispersed phase injection and size-controlled generation of droplets and droplet-templated particles.In micromixing processes,membrane is utilised as a micromixer for mixing two miscible liquids,usually solvent and antisolvent-rich solutions,which leads to the creation of supersaturation and subsequent nanoprecipitation or crystallisation.In mem-brane evaporation processes,membrane is used to prevent phase dispersion while allowing efficient molecular diffusion of solvent and/or antisolvent vapour through gas-filled pores.Membrane dispersion processes can be operated continuously by decoupling shear stress on the membrane surface from cross flow using tube insets,flow pulsations,swirling flow,membrane oscillations or membrane rotations.Droplet generation and solidification can be performed continuously in a single pass by connecting membrane module with a downstream reactor.Membrane dispersion processes can be used for pro-duction of nanoparticles such as nanovesicles(liposomes,micelles,ethosomes,and niosomes),nanogels,polymeric,lipid and metallic nanoparticles,and nanocrystals.The main advantages of membrane-assisted particle generation are in low energy consumption,controlled geometry and hydrodynamic conditions at the microscale level,flexible throughput due to modular and scalable design of membrane devices,and a wide choice of available microporous membranes with various wall porosities,wetta-bilities,pore sizes,and pore morphologies to suit different applications.

Optimisation of superplastic processing parameters for (Cu_(43)Zr_(48)Al_9)_(98)Y_2 bulk metallic glasses

In this study,hot compression tests of (Cu_(43)Zr_(48)Al_9)_(98)Y_2 bulk metallic glasses (BMGs) were performed,and their micro structure and thermal properties after the deformation were studied to explore the appropriate range of their optimum processing parameters. The experimental results show that the superplastic deformation of (Cu_(43)Zr_(48)Al_9)_(98)Y_2 bulk metallic glasses depends mainly on the temperature and strain rate. It is suitable for superplastic processing when the alloys are in the state of Newtonian flow and do not crystallise. The appropriate processing parameters of (Cu_(43)Zr_(48)Al_9)_(98)Y_2 BMGs are the temperatures and strain rates, which are below the "dividing line". And when the temperature is above733 K, the strain rate must be>1×10^(-3) s^(-1).