No Arabic abstract
The elementary excitations of vibration in solids are phonons. But in liquids phonons are extremely short-lived and marginalized. In this letter through classical and ab-initio molecular dynamics simulations of the liquid state of various metallic systems we show that different excitations, the local configurational excitations in the atomic connectivity network, are the elementary excitations in high temperature metallic liquids. We also demonstrate that the competition between the configurational excitations and phonons determines the so-called crossover phenomenon in liquids. These discoveries open the way to the explanation of various complex phenomena in liquids, such as fragility and the rapid increase in viscosity toward the glass transition, in terms of these excitations.
We study elementary low energy excitations inside a supersolid. We find that the coupling between the longitudinal lattice vibration mode and the superfluid mode leads to two longitudinal modes (one upper branch and one lower branch) inside the supersolid, while the transverse modes in the supersolid stay the same as those inside a normal solid. We also work out various experimental signatures of these novel elementary excitations by evaluating the Debye-Waller factor, density-density correlation, vortex loop-vertex loop interactions, specific heat and excess entropy from the vacancies per mole.
The phase behavior of liquids confined in a slit geometry does not reveal a crossover from a three to a two-dimensional behavior as the gap size decreases. Indeed, the prototypical two-dimensional hexatic phase only occurs in liquids confined to a monolayer. Here, we demonstrate that the dimensionality crossover is apparent in the lateral size dependence of the relaxation dynamics of confined liquids, developing a Debye model for the density of vibrational states of confined systems and performing extensive numerical simulations. In confined systems, Mermin-Wagner fluctuations enhance the amplitude of vibrational motion or Debye-Waller factor by a quantity scaling as the inverse gap width and proportional to the logarithm of the aspect ratio, as a clear signature of a two-dimensional behaviour. As the temperature or lateral system size increases, the crossover to a size-independent relaxation dynamics occurs when structural relaxation takes place before the vibrational modes with the longest wavelength develop.
Considering experimental results obtained on three prototype compounds, TMMC, CsCoCl3 (or CsCoBr3) and Cu Benzoate, we discuss the importance of non-linear excitations in the physics of quantum (and classical) antiferromagnetic spin chains.
Particle motion of a Lennard-Jones supercooled liquid near the glass transition is studied by molecular dynamics simulations. We analyze the wave vector dependence of relaxation times in the incoherent self scattering function and show that at least three different regimes can be identified and its scaling properties determined. The transition from one regime to another happens at characteristic length scales. The lengthscale associated with the onset of Fickian diffusion corresponds to the maximum size of heterogeneities in the system, and the characterisitic timescale is several times larger than the alpha relaxation time. A second crossover lengthscale is observed, which corresponds to the typical time and length of heterogeneities, in agreement with results from four point functions. The different regimes can be traced back in the behavior of the van Hove distribution of displacements, which shows a characteristic exponential regime in the heterogeneous region before the crossover to gaussian diffusion and should be observable in experiments. Our results show that it is possible to obtain characteristic length scales of heterogeneities through the computation of two point functions at different times.
We numerically investigate elementary excitations of the Heisenberg alternating-spin chains with two kinds of spins 1 and 1/2 antiferromagnetically coupled to each other. Employing a recently developed efficient Monte Carlo technique as well as an exact diagonalization method, we verify the spin-wave argument that the model exhibits two distinct excitations from the ground state which are gapless and gapped. The gapless branch shows a quadratic dispersion in the small-momentum region, which is of ferromagnetic type. With the intention of elucidating the physical mechanism of both excitations, we make a perturbation approach from the decoupled-dimer limit. The gapless branch is directly related to spin 1s, while the gapped branch originates from cooperation of the two kinds of spins.