相关论文: An Ice Structuring Mechanism for Zirconium Acetate

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…

Hexagonal ice ($\rm{I_h}$), the most common structure of ice, displays a variety of fascinating properties. Despite major efforts, a theoretical description of all its properties is still lacking. In particular, correctly accounting for its…

Proteins, by virtue of their central role in most biological processes, represent one of the key subjects of the study of molecular evolution. Inherent to the indispensability of proteins for living cells is the fact that a given protein…

Liquid salty micro-channels (brine) between growing ice platelets in sea ice are an important habitat for $CO_2$ - binding microalgaea with great impact on polar ecosystems. The structure formation of ice platelets is microscopically…

Materials that are strong, ultra-light weight and tough are in demand for a range of applications, requiring architectures and components carefully designed from the micrometer down to nanometer scales. Nacre-a structure found in many…

Freezing of ice has been largely reported from many aspects, especially its complex pattern formation. Ice grown from liquid phase is usually characteristic of lamellar morphology which plays a significant role in various domains. However,…

In this work, we conducted molecular dynamics simulations to study the fracture mechanism of ice crystals in a bulk phase and at ice-ice interfaces at the atomistic scale. We show that there exists a narrow disordered interfacial layer…

The crystal structure of potassium doped picene with an exact stoichiometry (K3C22H14, K3picene from here onwards) has been theoretically determined within Density Functional Theory allowing complete variational freedom of the crystal…

At air-water interfaces, the Lifshitz interaction by itself does not promote ice growth. On the contrary, we find that the Lifshitz force promotes the growth of an ice film, up to 1-8 nm thickness, near silica-water interfaces at the triple…

Potassium and sodium ions are crucial for many physiological processes in living systems and play different roles when interacting with proteins and enzymes. Intracellular concentration of potassium is always maintained higher than that of…

We determine potentials of the mean force for interactions of amino acids with four common surfaces of ZnO in aqueous solutions. The method involves all-atom molecular dynamics simulations combined with the umbrella sampling technique. The…

As one of the most fascinating confined water/ice phenomena, two-dimensional square ice has been extensively studied and experimentally confirmed in recent years. Apart from the unidirectional homogeneous square icing patterns considered in…

The growing usage of nanoparticles of zinc sulfide as quantum dots and biosensors calls for a theoretical assessment of interactions of ZnS with biomolecules. We employ the molecular-dynamics-based umbrella sampling method to determine…

The properties of water ice at megabar pressure are characterized with ab initio computer simulations. The focus lies on the metallic Cmcm phase and its insulating distorted analogue with Pnma symmetry. Both phases were recently predicted…

Structural aspects of crystal nucleation in undercooled liquids are explored using a nonlinear hydrodynamic theory of crystallization proposed recently [G. I. Toth et al., J. Phys.: Condens. Matter 26, 055001 (2014)], which is based on…

I describe a semi-empirical molecular model of the surface attachment kinetics governing ice crystal growth from water vapor as a function of temperature, supersaturation, and crystal mesostructure. An important new hypothesis in this model…

Brinicles are self-assembling tubular ice membrane structures, centimeters to meters in length, found beneath sea ice in the polar regions of Earth. We discuss how the properties of brinicles make them of possible importance for chemistry…

Understanding the hydration and diffusion of ions in water at the molecular level is a topic of widespread importance. The ammonium ion (NH$_4^+$) is an exemplar system that has received attention for decades because of its complex…

Mineral dust aerosols strongly influence Earth's climate by acting as ice-nucleating particles (INPs). Feldspar minerals, particularly K-feldspar, are recognized as dominant INPs, and a previous study attributed this behavior to (100)…

Icicles form when cool water drips from an overhanging support under ambient conditions which are below freezing. Ice growth is controlled by the removal of latent heat, which is transferred into the surrounding air via a thin film of water…