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Adding moving boundaries to convective fluids is known to result in nontrivial and surprising dynamics, leading to spectacular geoformations ranging from the kilometer-scale karst terrains to the planetary-scale plate tectonics. On one…
The influence of the external pressure and surface energy on the wetting transition at nanotextured interfaces is studied using molecular dynamics and continuum simulations. The surface roughness of the composite interface is introduced via…
Based on a microscopic density functional theory we calculate the internal structure of the three-phase contact line between liquid, vapor, and a confining wall as well as the morphology of liquid wetting films on a substrate exhibiting a…
We study a two-component reaction-diffusion system in which one of the reaction terms becomes singularly large. Assuming that the initial data are nonnegative and mutually segregated, we prove that the solution converges to that of the heat…
I use the method of classical density-functional theory in the weighted-density approximation of Tarazona to investigate the phase diagram and the interface structure of a two-dimensional lattice-gas model with three phases -- vapour,…
The thin interface limit aims at minimizing the effects arising from a numerical interface thickness, inherent in diffuse interface models of solidification and microstructure evolution such as the phase field model. While the original…
Review of selected fundamental topics on the interaction between phase transformations, fracture, and other structural changes in inelastic materials is presented. It mostly focuses on the concepts developed in the author's group over last…
Particles bound to an interface interact because they deform its shape. The stresses that result are fully encoded in the geometry and described by a divergence-free surface stress tensor. This stress tensor can be used to express the force…
In this paper we calculate the transfer coefficients for evaporation and condensation of mixtures. We use the continuous profiles of various thermodynamic quantities through the interface, obtained in our previous works using the square…
Interfacial thermal transport is a critical bottleneck in nanoscale systems, where heat dissipation and energy efficiency are strongly modulated by molecular ordering at solid-liquid boundaries. Here, using atomistic simulations of…
The hyperelastic materials would contribute to the intricacies of rough surface contact, primarily due to the heightened nonlinearity caused by stress concentration. In our previous research, an incremental contact model tailored for…
Polyatomic gases find numerous applications across various scientific and technological fields, necessitating a quantitative understanding of their behavior in non-equilibrium conditions. In this study, we investigate the behavior of…
In this paper, we present an Eulerian-Lagrangian methodology to simulate the interaction between a fluid-fluid interface and a solid particle in the presence of wetting effects. The target physical problem is represented by ternary phase…
We investigate the relationship between a diffusive motion of an interface, heat conduction, and the roughening transition in the three-dimensional Ising model. We numerically compute the thermal conductivity and the diffusion constant and…
Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the…
The paper is devoted to two-phase flow simulations and investigates the ability of a diffusive interface Cahn-Hilliard Volume-of-Fluid model to capture the dynamics of the air-sea interface at geophysically relevant Reynolds numbers. It…
Modeling important engineering problems related to flow-induced damage (in the context of hydraulic fracturing among others) depends critically on characterizing the interaction of porous media and interstitial fluid flow. This work…
Diffuse-interface theory provides a foundation for the modeling and simulation of microstructure evolution in a very wide range of materials, and for the tracking/capturing of dynamic interfaces between different materials on larger scales.…
The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…
Heat exchanges are the essence of Thermodynamics. In order to investigate non-equilibrium effects like quantum coherence and correlations in heat flows we introduce the concept of apparent temperature. Its definition is based on the…