相关论文: Some peculiarities of water freezing at small sub-…

We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy…

Molecular dynamic simulations were performed for ice Ih with a free surface. The simulations were carried out at several temperatures and each run lasted more than 7ns. At high temperatures the ice melts. It is demonstrated that the melting…

We report a study of the low temperature bulk magnetic properties of the spin ice compound Dy2Ti2O7 with particular attention to the (T < 4 K) spin freezing transition. While this transition is superficially similar to that in a spin glass,…

Water can be vitrified if it is cooled at rates exceeding $3*10^5$ K/s. This makes it possible to outrun crystallization in so-called no man's land, a range of deeply supercooled temperatures where water crystallizes rapidly. One would…

The liquid and supercooled states of water show a series of anomalies whose nature is debated. A key role is attributed to the formation of structural aggregates induced by critical phenomena occurring deep in the supercooled region; the…

Consistency between theory predictions and measurements and calculations revealed that the skin of ice, containing water molecules with fewer than four neighbours, forms a supersolid phase that is highly polarized, elastic, hydrophobic,…

The study of atmospheric ice nuclei is vital for understanding the formation of precipitation and the development of cloud systems as it reveals how these tiny particles grow. A mechanism of such growth when the nuclei are in a mixed…

Bubble nucleation in water induced by boiling, gas supersaturation or cavitation usually originates from pre-existing gas cavities trapped into solid defects. Even though the destabilization of such gas pockets, called nuclei, has been…

The phase diagram of H2O is extremely complex, in particular, it is believed that a second critical point exists deep below the supercooled water (SCW) region where two liquids of different densities coexist. The problem however, is that…

The evaporation of a tiny amount of water on the solid surface with different wettability has been studied by molecular dynamics simulations. We found that, as the surface changed from hydrophobicity to hydrophility, the evaporation speed…

Molecular dynamic simulations were employed to study a water-like model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate…

At 300-3000K and 1-500MPa, variations of relative contents for small water clusters (H2O)n (n=1~6) were calculated by using statistical mechanical methods. First, 9 kinds of small water clusters were selected and their structures were…

Convective flows coupled with solidification or melting in water bodies play a major role in shaping geophysical landscapes. Particularly in relation to the global climate warming scenario, it is essential to be able to accurately quantify…

Water ice has been detected in several supernova remnants despite the strong heating and radiation in these environments. This challenges standard expectations for dust survival. Using two dimensional magnetohydrodynamic simulations, we…

We use molecular simulation to calculate the nucleation free energy barrier for the freezing of a 456 atom gold cluster over a range of temperatures. The results show that the embryo of the solid cluster grows at the vapor-surface interface…

We investigate the kinetic freeze out scenario of a nucleon gas through a finite layer. The in-medium mass modification of nucleons and it's impact on the freeze out process is studied. A considerable modification of the thermodynamical…

In this work, we provide mechanistic insight into the initial stages of formation of ice across the limit of stability of supercooled water. Such an analysis is particularly important since crystal nucleation is not a relevant mechanism…

We report here a molecular dynamics simulation study on water and aqueous LiCl solutions confined in 1.6 nm cylindrical pores of silica to investigate a dynamical cross-over, observed earlier experimentally, wherein LiCl slows down confined…

Condensation and frost formation degrade the heat transfer performance of air-conditioners and refrigerators. Yet, the frost formation mechanism has not been fully understood. In the present study, we numerically investigated H2O droplets…

Water in nanoscale cavities is ubiquitous and of central importance to everyday phenomena in geology and biology. However, the properties of nanoscale water can be remarkably different from bulk, as shown e.g., by the anomalously low…