相关论文: Crystallization Inhibitors: Explaining Experimenta…
We optimize a numerical time-stabilization routine for the phase-field crystal (PFC) models of solidification. By numerical experiments, we showcase that our approach can improve the accuracy of underlying time integration schemes by a few…
Using computer simulations we investigate the homogeneous crystal nucleation in suspensions of colloidal hard dumbbells. The free energy barriers are determined by Monte Carlo simulations using the umbrella sampling technique. We calculate…
The stress generation on pore walls due to the growth of a sodium chloride crystal in a confined aqueous solution is studied from evaporation experiments in microfluidic channels in conjunction with numerical computations of crystal growth.…
The crystallisation that occurs when a drop is placed in contact with a cold surface is a particularly challenging phenomenon to capture experimentally and describe theoretically. The situation of a liquid-liquid interface, where crystals…
In this article, we demonstrate a method for inducing reversible crystal-to-crystal transitions in binary mixtures of soft colloidal particles. Through a controlled decrease of salinity and increasingly dominating electrostatic…
Ionic solids and melts are compounds in which the interactions are dominated by electrostatic effects. However, the polarization of the ions also plays an important role in many respects as has been clarified in recent years thanks to the…
Pressure solution creep rates and interface structures have been measured by two methods on calcite single crystals. In the first kind of experiments, calcite monocrystals were indented at 40 degrees C for six weeks using ceramic indenters…
We use numerical simulations to study the crystallization of monodisperse systems of hard aspherical particles. We find that particle shape and crystallizability can be easily related to each other when particles are characterized in terms…
Phospholipid bilayers are a major component of the cell membrane that is in contact with physiological electrolyte solutions including salt ions. The effect of salt on the phospholipid bilayer mechanics is an active research area due to its…
This paper presents a new interpretation procedure to estimate the initial state parameter from cone penetration testing (CPTu) in undrained conditions based on the results from a comprehensive set of numerical simulations of CPTu in low…
Carbon mineralization in basaltic rocks may offer rapid, permanent \ce{CO2} storage, yet fundamental controls on reactive transport and precipitation patterns remain poorly understood. This study integrates flow-through experiments at…
Nm-range forces acting between calcite surfaces in water affect macroscopic properties of carbonate rocks and calcite-based granular materials, and are significantly influenced by calcite surface recrystallization. We suggest that the…
To study the effects appearing under mechanical stresses, we have used the model of glycinium phosphite ferroelectric, modified by taking into account the piezoelectric coupling of ordering structure elements with lattice strains. In the…
Concentrated fabric conditioners are water-based formulations containing 10 wt. % of cationic surfactants that are deposited on textile fibers during the rinse cycle in a washing machine to make them smoother and softer to touch. In topical…
Freezing in charged porous media can induce significant pressure and cause damage to tissues and functional materials. We formulate a thermodynamically consistent theory to model freezing phenomena inside charged heterogeneous porous space.…
Group I/II materials exhibit unexpected structural phase transitions at high pressures, providing potential insight into the origins of elemental superconductivity. We present here a computational study of elemental barium and binary…
Synchrotron-X-ray and surface tension studies of a strong polyelectrolyte (PE) in the semi-dilute regime (~ 0.1M monomer-charges) with varying surfactant concentrations show that minute surfactant concentrations induce the formation of a…
The microscopic structure of a new infrared-driven amorphous white-light-generating material was explored by X-ray diffraction, EXAFS and Reverse Monte Carlo simulation. In this material, structural disorder appears to be prerequisite for…
The process of crystallization is often understood in terms of the fundamental microstructural elements of the crystallite being formed, such as surface orientation or the presence of defects. Considerably less is known about the role of…
This paper is dedicated to the solidification of a water drop impacting a cold solid surface. In a first part, we establish a 1D solidification model, derived from the Stefan problem, that aims at predicting the freezing dynamic of a liquid…