相关论文: Mixing Effects in the Crystallization of Supercool…
Copper ferrite nanoparticles have catalytic activity for hydrogen peroxide, which can be used in many fields. This characteristic comes from the physical properties of matters at nanometer scale. Thus, controlling the size and aggregation…
Recently the supercooled Wahnstrom binary Lennard-Jones mixture was partially crystallized into ${\rm MgZn_2}$ phase crystals in lengthy Molecular Dynamics simulations. We present Molecular Dynamics simulations of a modified Kob-Andersen…
We investigate water and deuterated water chemistry in turbulent protoplanetary disks. Chemical rate equations are solved with the diffusion term, mimicking turbulent mixing in vertical direction. Water near the midplane is transported to…
We simulate a strongly size-disperse hard-sphere fluid confined between two parallel, hard walls. We find that confinement induces crystallization into n-layered hexagonal lattices and a novel honeycomb-shaped structure, facilitated by…
The supercooled state of bulk water is largely hidden by unavoidable crystallization, which creates an experimentally inaccessible temperature regime - a 'no man's land'. We address this and circumvent the crystallization problem by…
Nuclear quantum effects (NQEs) on the structures and transport properties of dense liquid hydrogen at densities of 10-100 g/cm3 and temperatures of 0.1-1 eV are fully assessed using \textit{ab initio} path-integral molecular dynamics…
When we lower the temperature of a liquid, at some point we meet a first order phase transition to the crystal. Yet, under certain conditions it is possible to keep the system in its metastable phase and to avoid crystallization. In this…
Accurate models of cooling white dwarfs must treat the energy released as their cores crystallize. This phase transition slows the cooling by releasing latent heat and also gravitational energy, which results from phase separation: liquid C…
The 3-body crystallization diagrams of C/O/Ne ionic mixtures characteristic of white dwarf interiors are examined within the framework of the density-functional theory of freezing. The crystallization process is described more accurately…
Heterogeneous ice growth exhibits a maximum in freezing rate arising from the competition between kinetics and the thermodynamic driving force between the solid and liquid states. Here, we use molecular dynamics simulations to elucidate the…
Experiments and simulations are used to study the kinetics of crystal growth in a mixture of magnetic and nonmagnetic particles suspended in ferrofluid. The growth process is quantified using both a bond order parameter and a mean domain…
The nucleation, crystallization, and growth mechanisms of MnFe2O4, CoFe2O4, NiFe2O4, and ZnFe2O4 nanocrystallites prepared from coprecipitated transition metal (TM) hydroxide precursors treated at sub-, near-, and supercritical hydrothermal…
The samples of hcp solid helium (1% $^3$He in $^4$He) are studied by NMR technique. The samples are grown by the blocking capillary method at different growth rates (about 8, 2, and 0.08 mK/s). The NMR technique is used for phase…
Micellar aqueous solutions of ionic surfactants have been observed to exhibit proton delocalization (the nuclear quantum effect) and to oscillate between a low density (LDL) and a high density (HDL) state of water state at a fixed…
Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…
We address the collision of two superfluid 4 He droplets at non-zero initial relative velocities and impact parameters within the framework of liquid 4 He time-dependent density functional theory at zero temperature. In spite of the small…
We show theoretically that thermomechanical effects in dye-doped nematic liquid crystals when illuminated by laser beams, can become important and lead to molecular reorientation at intensities substantially lower than that needed for…
In simulations of supercooled, high-density liquid silica we study a range of temperature T in which we find both crystal nucleation, as well as the characteristic dynamics of a glass forming liquid, including a breakdown of the…
In this note, we report about two, as it seems to us, rather unusual observations made in molecular dynamics simulations of the single component systems of particles interacting through the harmonic-repulsive pair potential in 3D. In…
We examine the molecular dynamics of crystal growth in the presence of surface melting and surface impurities, and from this propose a detailed microscopic model for the growth of ice from the vapor phase. Our model naturally accounts for…