Related papers: Interface-mediated thermomechanical effects during…
Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model for Cu nanoparticles on three Al$_2$O$_3$ surfaces ($\gamma$-Al$_2$O$_3$(100),…
Coarse grained molecular dynamics simulations are presented in which the sensitivity of the ice nucleation rate to the hydrophilicity of a graphene nanoflake is investigated. We find that an optimal interaction strength for promoting ice…
The developed computational approach is capable of initiating and propagating cracks inside materials and along material interfaces of general multi-domain structures under quasi-static conditions. Special attention is paid to particular…
Interfacial interactions significantly alter the fundamental properties of water confined in mesoporous structures, with crucial implications for geological, physicochemical, and biological processes. Herein, we focused on the effect of…
The problem of a crack impinging on an interface has been thoroughly investigated in the last three decades due to its important role in the mechanics and physics of solids. In this investigation, this problem is revisited in view of the…
Hard particle erosion and cavitation damage are two main wear problems that can affect the internal components of hydraulic machinery such as hydraulic turbines or pumps. If both problems synergistically act together, the damage can be more…
A central goal of modern materials physics and nanoscience is control of materials and their interfaces to atomic dimensions. For interfaces between polar and non-polar layers, this goal is thwarted by a polar catastrophe that forces an…
We simulate structure in the vicinity of different size nanovoids using a new variant of the Molecular Statics, wherein atomic structure in the vicinity of nanovoids and the parameters that define the displacements of atoms placed in…
The evolution of fractal surface structures with flattening of asperities was investigated using isotropically roughened aluminium surfaces loaded in compression. It was found that asperity amplitude, mean roughness and fractal dimension…
For sedimenting colloidal hard spheres, the propagation and broadening of the crystal-fluid interface is studied by Brownian dynamics computer simulations of an initially homogeneous sample. Two different types of interface broadenings are…
We investigate the interfacial dynamics involved in the impact of a droplet on a liquid-liquid system, which involves the impingement of an immiscible core liquid drop from a vertical separation onto an interfacial shell liquid layer…
This work focuses on the interfacial dynamics with interfacial mass flux in the presence of acceleration and surface tension. We employ the general matrix method to find the fundamental solutions for the linearized boundary value problem…
The impact dynamics of viscoelastic droplets on solid surfaces play a critical role in numerous applications, including inkjet printing, spray coating, and microfluidics, where precise control of spreading, retraction, and rebound is…
We provide a theoretical framework to analyze the properties of frontal collisions of two growing interfaces considering different short range interactions between them. Due to their roughness, the collision events spread in time and form…
The main causes of energy dissipation in micro- and nano-scale wetting are viscosity and liquid-solid friction localized in the three-phase contact line region. Theoretical models predict the contactline friction coefficient to correlate…
The ion distribution of electrolytes near interfaces with dielectric contrast has important consequences for electrochemical processes and many other applications. To date, most studies of such systems have focused on geometrically simple…
The chemical interface damping (CID) effect increases the collision frequency of free electrons in metals by changes of the metal surface. We have now experimentally disentangled the two contributions to CID: induced roughness and direct…
Freezing in the vicinity of water-vapor interfaces is of considerable interest to a wide range of disciplines, most notably the atmospheric sciences. In this work, we use molecular dynamics and two advanced sampling techniques, forward flux…
We investigate the equilibrium properties of a colloidal solution in contact with a soft interface. As a result of symmetry breaking, surface effects are generally prevailing in confined colloidal systems. In this Letter, particular…
Water freezing in particle suspensions widely exists in nature. As a typical physical system of free boundary problem, the spatiotemporal evolution of the solid/liquid interface not only origins from phase transformation but also from…