Related papers: Microstructure Effects on Performance and Deactiva…
We use a theoretical model to explore how fluid dynamics, in particular, the pressure gradient and wall shear stress in a channel, affect the deposition of particles flowing in a microfluidic network. Experiments on transport of colloidal…
The dynamics of colloidal particles in potential energy landscapes have mainly been investigated theoretically. In contrast, here we discuss the experimental realization of potential energy landscapes with the help of light fields and the…
Single particle dynamics of water confined in a nanopore is studied through Computer Molecular Dynamics. The pore is modeled to represent the average properties of a pore of Vycor glass. Dynamics is analyzed at different hydration levels…
We present the results of the modelling of CO adsorption and catalytic CO oxidation on inhomogeneous Pt(100) surfaces which contain structurally different areas. These areas are formed during the CO-induced transition from a reconstructed…
Traces of water can profoundly alter the dielectric response of functional oxides, yet such effects have remained largely unrecognized in systems where colossal dielectric behaviour has been widely reported. Here, we investigate the impact…
The microstructure of materials evolves through chemical reactions and mechanical stress, often strongly coupled in phenomena such as pressure solution or crystallization pressure. This article presents MASKE: a simulator to address the…
The functionalities and applications of complex coacervates -- liquid condensates resulting from liquid-liquid phase separation of charged polymers -- are significantly influenced by the dispersion and aggregation states of guest…
We present a hydro-geomechanical model for subsurface methane hydrate systems. Our model considers kinetic hydrate phase change and non-isothermal, multi-phase, multi-component flow in elastically deforming soils. The model accounts for the…
The acceleration of charged particles (electrons and protons) in flaring solar active regions is analyzed by numerical experiments. The acceleration is modelled as a stochastic process taking place by the interaction of the particles with…
We investigate the rheology, microscopic structure, and dynamics of an industrially relevant dispersion made of cationic surfactant vesicles, from dilute to concentrated conditions. We find that these suspensions exhibit a shear-thinning…
Effect of a complicated many-body environment is analyzed on the chaotic motion of a quantum particle in a mesoscopic ballistic structure. The dephasing and absorption phenomena are treated on the same footing in the framework of a…
Systematic deflection of microparticles off of initial streamlines is a fundamental task in microfluidics, aiming at applications including sorting, accumulation, or capture of the transported particles. In a large class of setups,…
The deposition of nanometer-scale particles is of significant interest in various industrial processes. While these particles offer several advantages, their deposition can have detrimental effects, such as reducing the heat transfer…
A fundamental understanding of plasma-catalyst interactions is important for understanding reaction mechanisms, optimizing the catalyst, and increasing the efficiency of plasma-assisted catalytic process for ammonia (\ce{NH3}) synthesis. We…
Owing to the possibility of controlling its specific mechanical behaviors up taken by irradiated by light at particular wavelengths, the photoisomerization hydrogels have a broad range of potential applications. A theory connecting the…
The work is devoted to particles dynamics simulation in a colloidal drop, when it dries on a substrate and the triple-phase boundary is fixed. Experimental observations [Deegan R. D. et. al., 2000] show a ring deposition on a solid…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
e study theoretically, the photoluminescence properties of a single quantum dot in a microcavity under incoherent excitation. We propose a microscopic quantum statistical approach providing a Lindblad (thus completely positive) description…
Shock wave interactions with defects, such as pores, are known to play a key role in the chemical initiation of energetic materials. The shock response of hexanitrostilbene is studied through a combination of large scale reactive molecular…
The permeability of a pore structure is typically described by stochastic representations of its geometrical attributes. Database-driven numerical solvers for large model domains can only accurately predict large-scale flow behaviour when…