相关论文: Premelting, fluctuations and coarse-graining of wa…

Melting is omnipresent in nature and technology, with applications ranging from metallurgy, biology, food science, and latent thermal energy storage to oceanography, geophysics, and climate science, and occurring on all scales from…

To acquire the ability to numerically study the rheology of particulate two-phase flows that lack scale separation, we present a general method to average or coarse-grain the equations of motion of a mixture of a continuous fluid of…

Almost frictionless skating on ice relies on a thin layer of melted water insulating mechanically the blade of the skate from ice. Using the basic equations of fluid mechanics and Stefan law, we derive a set of two coupled equations for the…

Molecular-scale interactions between solvated macromolecules and solid surfaces govern a large number of processes, from biology to engineering. Yet, despite extensive characterization at the macroscopic level, our molecular understanding…

By introducing height dependency in the surface energy density, we propose a novel regularized variational model to simulate wetting/dewetting problems. The regularized model leads to the appearance of a precursor layer which covers the…

Damage caused by freezing wet, porous materials is a widespread problem, but is hard to predict or control. Here, we show that polycrystallinity makes a great difference to the stress build-up process that underpins this damage. Unfrozen…

We present measurements of the growth rates of the principal facet surfaces of ice from water vapor as a function of supersaturation over the temperature range -2 C > T > -40 C. Our data are well described by a dislocation-free…

In this paper a model for partial melts is constructed using two-scale homogenization theory. While this technique is well known to the mathematics and materials communities, it is relatively novel to problems in the solid Earth. This…

The integral equation coarse-graining (IECG) approach is a promising high-level coarse-graining (CG) method for polymer melts, with variable resolution from soft spheres to multi CG sites, which preserves the structural and thermodynamical…

A widely accepted phenomenological rule states that solids with free surfaces cannot be overheated. In this work we discuss this statement critically under the light of the statistical thermodynamics of interfacial roughening transitions.…

Ice-templating, also referred to as freeze-casting, is a process exploiting unidirectional crystallization of ice to structure macroporous materials from colloidal solutions. Commonly applied to inorganic and polymeric materials, we employ…

The results of experiments on the formation of molecular hydrogen on low density and high density amorphous ice surfaces are analyzed using a rate equation model. The activation energy barriers for the relevant diffusion and desorption…

Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…

Conjugated organic molecules play a central role in a wide range of optoelectronic devices, including organic light-emitting diodes, organic field-effect transistors, and organic solar cells. A major bottleneck in the computational design…

The observed gas-phase molecular inventory of hot cores is believed to be significantly impacted by the products of chemistry in interstellar ices. In this study, we report the construction of a full macroscopic Monte Carlo model of both…

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

We present an extended investigation of a recently introduced model of gravitationally confined, collisionless plasma (Barbieri et al. 2024a), which showed that rapid temperature fluctuations at the base of the plasma, occurring on…

We study the structure and the dynamics in the formation of irreversible gels by means of molecular dynamics simulation of a model system where the gelation transition is due to the random percolation of permanent bonds between neighboring…

Soft-granular media, such as dense emulsions, foams or tissues, exhibit either fluid- or solid-like properties depending on the applied external stresses. Whereas bulk rheology of such materials has been thoroughly investigated, the…

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…