相关论文: A Monte Carlo simulation study on the wetting beha…
We analyze the time profile $\Delta T(t)$ of the temperature difference, measured across a very compressible supercritical $^3$He fluid layer in its convective state. The experiments were done along the critical isochore in a…
The deposition of a metal on a foreign substrate is studied by means of grand canonical Monte Carlo simulations and a lattice-gas model with pair potential interactions between nearest neighbors. The influence of temperature and surface…
Employing smart Monte Carlo sampling techniques within the grand canonical ensemble, we investigate the properties of water at a model hydrophobic substrate. By reducing the strength of substrate-water attraction we find that fluctuations…
Heat and momentum transfer of low-Prandtl-number fluid ($Pr=0.029$) in a closed rectangular cavity ($100\times60\times10$ mm$^3$) heated at one side and cooled at the opposite side are analyzed. The electromagnetic forces into the liquid…
Evidence is accumulating for the crucial role of a solid's free electrons in the dynamics of solid-liquid interfaces. Liquids induce electronic polarization and drive electric currents as they flow; electronic excitations, in turn,…
The interaction energy between a water molecule and graphitic structured clusters terminated by hydrogen atoms is analyzed by ab initio methods and decomposed into electrostatic, induction, Pauli repulsion, and correlation energy…
Critical wetting is an elusive phenomenon for solid-fluid interfaces. Using interfacial models we show that the diverging length scales, which characterize complete wetting at an apex, precisely mimic critical wetting with the apex angle…
Computer simulations are used to study a three-dimensional polydisperse model glassformer in a replica-coupling setup where an attractive field $\propto - \varepsilon Q$ of strength $\varepsilon$ can adjust the similarity of the system to a…
We study the conformation and scaling properties of a self-avoiding fluid membrane, subject to an osmotic pressure $p$, by means of Monte Carlo simulations. Using finite size scaling methods in combination with a histogram reweighting…
We propose a simplified description of fluid adsorption on heterogenenous micropatterned substrates. Using this approach, we are able to rederive results obtained earlier using effective interfacial Hamiltonian methods and predict a number…
Graphite, as a well-known carbon-based solid, is a paradigmatic example of the so-called van der Waals layered materials, which display a large anisotropy in their physical properties. Here we study quantum effects in structural and elastic…
Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50…
Because of the negative inclination of the solid-liquid phase separation line in water, ice Ih melts on compression. On further increase in pressure the liquid water transforms into a high density metastable glassy state, characterized by a…
The water-repellence properties of superhydrophobic surfaces make them promising for many applications. However, in some extreme environments, such as high humidities and low temperatures, condensation on the surface is inevitable, which…
Graphite creep has high importance for applications using high pressures (100 MPa) and temperatures close to 2000 {\textdegree}C. In particular, the new flash spark plasma sintering process (FSPS) is highly sensitive to graphite creep when…
Hypothesis Emerging energy-related technologies deal with multiscale hierarchical structures, intricate surface morphology, non-axisymmetric interfaces, and complex contact lines where wetting is difficult to quantify with classical…
We present a theoretical study of wetting phenomena and interactions between liquid-vapor interfaces based on the density functional theory. The focus is mostly on the impact of long-range van der Waals interactions both within the fluid…
The phase diagram of the first layer of $^4$He adsorbed on a single graphene sheet has been calculated by a series of diffusion Monte Carlo calculations including corrugation effects. As the number of C-He interactions is reduced with…
The interfacial adsorption W at the first-order transition in two-dimensional q-state Potts models is studied. In particular, findings of Monte Carlo simulations and of density-matrix renormalization group calculations, at q= 16, are…
The two-dimensional Ising model is studied by performing computer simulations with one of the Monte Carlo algorithms - the worm algorithm. The critical temperature T_C of the phase transition is calculated by the usage of the critical…