Related papers: Processes and characteristics of methane hydrate f…
Soft matters whose constituents are deformable are ubiquitous in nature especially in biological systems-including cells and their organelles-as well as in foams and emulsions. The capacity for deformation in these soft materials gives rise…
Freeze-thaw cycles can be regularly observed in nature in water and are essential in industry and science. Objects present in the medium will interact with either an advancing solidification front during freezing or a retracting…
Previous experimental studies have shown that when a layer of solid particles is explosively dispersed, the particles often develop a non-uniform spatial distribution. The instabilities within the particle bed and at the particle layer…
Chemical reactions in small droplets are extensively explored to accelerate the discovery of new materials, increase efficiency and specificity in catalytic biphasic conversion and in high throughput analytics. In this work, we investigate…
The drilling of geothermal energy, CO2 sequestration, and wastewater injection all involve the pressurized flow of fluids through porous rock, which can cause deformation and fracture of the material. Despite the widespread use of these…
Although realizing wetting transitions of droplets spontaneously on solid rough surfaces is quite challenging, it is becoming a key research topic in many practical applications which require highly efficient removal of liquid. We report…
We have investigated the hydrogen-bonded structures in liquid methanol and a 7:3 mole fraction aqueous solution using classical Molecular Dynamics simulations at 298K and ambient pressure. We find that, in contrast to recent predictions…
Capillary heterogeneity is increasingly recognized as a first-order control on gas plume migration and trapping in aquifers and storage formations. We show that spatial variability in the water-methane contact angle, determined by…
Thermoresponsive microgels are one of the most investigated class of soft colloids, thanks to their ability to undergo a Volume Phase Transition (VPT) close to ambient temperature. However, this fundamental phenomenon still lacks a detailed…
High-pressure metal superhydrides have attracted intense scientific interest due to their remarkable superconducting properties. While superconductivity is known to be sensitive to material composition, compositional variability is often…
Depleted carbonate hydrocarbon reservoirs are promising sites for geological CO2 storage, yet the presence of residual hydrocarbons introduces complex pore-scale interactions that influence the dynamics of solid dissolution. This study…
We describe several unexpected phenomena, caused by a solid-solid phase transition (gel-to-crystal) typical for all main classes of lipid substances - phospholipids, triglycerides, diglycerides, alkanes, etc. We discovered that this…
Developing solid-state hydrogen storage materials is as pressing as ever, which requires a comprehensive understanding of the dehydrogenation chemistry of a solid-state hydride. Transition state search and kinetics calculations are…
The injection of liquid fuel at supercritical pressures is a relevant topic in combustion, but usually overlooked. In the past, the wrong assumption whereby the liquid experiments a fast transition to a supercritical state was made, thus…
Ab initio molecular dynamic method within the framework of density functional theory is applied to analyze the structural and electronic properties of crystalline molecular hydrogen at temperature 100\,K. Pressure, pair correlation function…
We employ the Distance Matrix method to investigate metabasin dynamics in supercooled water. We find that the motion of the system consists in the exploration of a finite region of configuration space (enclosing several distinct local…
Soft particles suspended in fluids flowing through microchannels are often encountered in biological flows such as cells in vessels. They can deform under flow or when subject to mechanical stresses as they interact with themselves.…
The synthesis of the high-$T_c$ superhydride CaH$_6$ has stimulated significant interest in understanding synthesis pathways for metastable hydrides. However, the microscopic mechanisms governing such hydrogenation reactions remain poorly…
Phase-separated biomolecular condensates with liquid-like properties play a key role in the organization and compartmentalization of the intracellular environment. Condensate-mediated capillary forces acting on membranes drive…
Active particles under soft confinement such as droplets or vesicles present intriguing phenomena, as collective motion emerges alongside the deformation of the environment. A model is employed to systematically investigate droplet…