Mode-coupling approximation in a fractional-power generalization: Particle dynamics in supercooled liquids and glasses

Dynamics of a network of hydrogen bonds upon water electrocrystallization

“…The figure shows that, as the pressure increases, plateaus arise in the time dependences of the mean square displacement of molecules and the so called two step relaxation is observed in the inco herent scattering function. These features of the microscopic molecular dynamics, together with the splitting of the second peak in the radial distribution function of atoms, obviously confirm the presence of an amorphous phase of water in this thermodynamic range [22,23].…”

“…On the other hand, the transition to the amorphous phase may be confirmed by the disappearance of the diffusion of molecules, i.e., reaching a plateau in the time dependence of their mean square displacements [21], (5) and the existence of a plateau and two step relaxation in the incoherent scattering function [22,23] …”

Quasi-solid state microscopic dynamics in equilibrium classical liquids: Self-consistent relaxation theory

“…As we previously showed [59], this model of the potential agrees best with experimental data on elastic and inelastic x-ray scattering compared with known multiparticle potentials of the EAM (embedded atom model) type. The equations of motion were integrated according to the velocity Verlet algorithm with the time step τ = 0.01 ps [61]. To bring the system to the thermodynamic equilibrium and to calculate the spectral characteristics, we respectively performed 200 000 and 100 000 time steps.…”

Three-particle correlations in liquid and amorphous aluminium

“…In a system with N particles the coordinates q and impulses p form a 6Ndimensional phase space. The time evolution of the system will be defined by the Hamiltonian H( q, p), which can be written through the canonical Liouville equation of motion as follows [27]:…”