84 research outputs found
Equations of state for simple liquids from the Gaussian equivalent representation method
Within the framework of Gaussian equivalent representation method a new
procedure of obtaining equations of state for simple liquids is discussed in
some technical details. The developed approach permits one to compute partition
and distribution functions for simple liquids with arbitrary form of the
central two-body potential of inter-molecular interaction. The proposed
approach might become of great use for computing thermodynamic and structural
quantities of simple particle and polymer systems. We believe that this
technique can also provide an interesting possibility to reduce the sign
problem of other methods of computer simulation based on a functional integral
approach.Comment: 11 page
Conductance enhancement due to atomic potential fluctuations in graphene
We solve the Dirac equation, which describes charge massless chiral
relativistic carriers in a two-dimensional graphene. We have identified and
analysed a novel pseudospin-dependent scattering effect. We compute the
tunneling conductance and generalize the analytical result in the presence of
the tunable atomic potential of a graphene strip. The absence of back
scattering in graphene is shown to be due to Berry's phase which corresponds to
a sign change of the wave function under a spin rotation of a particle. We use
the transfer matrix approach and find that the electric conductance of doped
graphene increases due to atomic potential fluctuations.Comment: 4 pages, 2 figure
Josephson effect in Graphene SNS Junction with a Single Localized Defect
Imperfections change essentially the electronic transport properties of
graphene. Motivated by a recent experiment reporting on the possible
application of graphene as junctions, we study transport properties in
graphene-based junctions with single localized defect. We solve the
Dirac-Bogoliubov-de-Gennes equation with a single localized defect
superconductor-normal(graphene)-superconductor (SNS) junction. We consider the
properties of tunneling conductance and Josephson current through an undoped
strip of graphene with heavily doped s-wave superconducting electrodes in the
dirty limit. We find that spectrum of Andreev bound states are modified in the
presence of single localized defect in the bulk and the minimum tunneling
conductance remains the same. The Josephson junction exhibits sign
oscillations.Comment: 5 pages, 4 figure
Local structure of supercritical matter
The supercritical state is currently viewed as uniform on the
pressure-temperature phase diagram. Supercritical fluids have the dynamic
motions of a gas but are able to dissolve materials like a liquid. They have
started to be deployed in many important industrial applications stimulating
fundamental theoretical work and development of experimental techniques. Here,
we have studied local structure of supercritical matter by calculating static
structure factor, mean force potential, self-diffusion, first coordination
shell number and pair distribution function within very wide temperature
ranges. Our results show a monotonic disappearance of medium-range order
correlations at elevated temperatures providing direct evidence for structural
crossover in the reciprocal and real spaces. Importantly, the discovered
structural crossover in the reciprocal space is fundamentally inter-related to
structural crossover in the real space, granting new unexpected interlinks
between operating system properties in the supercritical state. Finally, we
discuss an evolution analysis of the local structure and important implications
for an experimental detection of structural monotonic transitions in the
supercritical matter.Comment: 4 pages, 3 figure
Symmetry breaking gives rise to energy spectra of three states of matter
A fundamental task of statistical physics is to start with a microscopic
Hamiltonian, predict the system's statistical properties and compare them with
observable data. A notable current fundamental challenge is to tell whether and
how an interacting Hamiltonian predicts different energy spectra, including
solid, liquid and gas phases. Here, we propose a new idea that enables a
unified description of all three states of matter. We introduce a generic form
of an interacting phonon Hamiltonian with ground state configurations
minimising the potential. Symmetry breaking, from the group of rotations in
reciprocal space to its subgroup, leads to emergence of energy gaps of shear
excitations as a consequence of the Goldstone theorem, and readily results in
the emergence of energy spectra of solid, liquid and gas phases.Comment: 7 pages, 2 figures, 1 tabl
Theory of dipolaron solutions
A fundamental task of statistical physics is to predict the system's
statistical properties and compare them with observable data. We formulate the
theory of dipolaron solutions and analyze the screening effects for permanent
and field-induced dipolarons. The mathematical treatment of the collective
behaviour and microscopical morphology of dipolaron solutions are discussed.
The presented computations show that the electric field shielding of dipolarons
in dielectric nanosolutions is quite different from that of counterionic
nano-complexes of Debye-H\"uckel theory of electrolytes. The limiting case of
screening length in dipolaron solutions corresponds to Coulomb's
law for the potential and field of uniformly charged sphere.Comment: 5 pages, 3 figures. arXiv admin note: substantial text overlap with
arXiv:1109.436
Persistent local order heterogeneity in the supercritical carbon dioxide
The supercritical state is currently viewed as uniform and homogeneous on the
pressure-temperature phase diagram in terms of physical properties. Here, we
study structural properties of the supercritical carbon dioxide, and discover
the existence of persistent medium-range order correlations which make
supercritical carbon dioxide non-uniform and heterogeneous on an intermediate
length scale, a result not hitherto anticipated. We report on the carbon
dioxide heterogeneity shell structure where, in the first shell, both carbon
and oxygen atoms experience gas-like type inter- actions with short range order
correlations, while within the second shell oxygen atoms essentially exhibit
liquid-like type of interactions with medium range order correlations due to
localisation of transverse-like phonon packets. We show that the local order
heterogeneity remains in the three phase-like equilibrium within very wide
temperature range. Importantly, we highlight a catalytic role of atoms inside
the nearest neighbor heterogeneity shell in providing a mechanism for diffusion
in the supercritical carbon dioxide on an intermediate length scale. Finally,
we discuss important implications for answering the intriguing question whether
Venus may have had carbon dioxide oceans and urge for an experimental detection
of this persistent local order heterogeneity.Comment: 5 pages, 6 figure
Unified phonon-based approach to the thermodynamics of solid, liquid and gas states
We introduce a unified approach to states of matter (solid, liquid and gas)
and describe the thermodynamics of the pressure-temperature phase diagram in
terms of phonon excitations. We derive the effective Hamiltonian with
low-energy cutoff in two transverse phonon polarizations (phononic band gaps)
by breaking the symmetry in phonon interactions. Further, we construct the
statistical mechanics of states of aggregation employing the Debye
approximation. The introduced formalism covers the Debye theory of solids, the
phonon theory of liquids, and thermodynamic limits such as the Dulong-Petit
thermodynamic limit, the ideal gas limit and the new thermodynamic limit,
dubbed here the Frenkel line thermodynamic limit. We discuss the phonon
propagation and localization effects in liquids above and below the Frenkel
line, and explain the "fast sound" phenomenon. As a test for our theory we
calculate velocity-velocity autocorrelation and pair distribution functions
within the Green-Kubo formalism. We show the consistency between dynamics of
phonons and pair correlations in the framework of the unified approach. New
directions towards advancements in phononic band gaps engineering, hypersound
manipulation technologies and exploration of exotic behaviour of fluids
relevant to geo- and planetary sciences are discussed. The presented results
are equally important both for practical implications and for fundamental
research.Comment: 21 pages, 7 figures, 3 table
The Frenkel Line: a direct experimental evidence for the new thermodynamic boundary
Supercritical fluids play a significant role in elucidating fundamental
aspects of liquid matter under extreme conditions. They have been extensively
studied at pressures and temperatures relevant to various industrial
applications. However, much less is known about the structural behaviour of
supercritical fluids and no structural crossovers have been observed in static
compression experiments in any temperature and pressure ranges beyond the
critical point. The structure of supercritical state is currently perceived to
be uniform everywhere on the pressure-temperature phase diagram, and to change
only in a monotonic way even moving around the critical point, not only along
isotherms or isobars. Conversely, we observe structural crossovers for the
first time in a deeply supercritical sample through diffraction measurements in
a diamond anvil cell and discover a new thermodynamic boundary on the
pressure-temperature diagram. We explain the existence of these crossovers in
the framework of the phonon theory of liquids using molecular dynamics
simulations. The obtained results are of prime importance since it implies a
global reconsideration of the mere essence of the supercritical phase.
Furthermore, this discovery may pave the way to new unexpected applications and
to the exploration of exotic behaviour of confined fluids relevant to geo- and
planetary sciences.Comment: 11 pages, 5 figure
Thermally triggered phononic gaps in liquids at THz scale
In this paper we present inelastic X-ray scattering experiments in a diamond
anvil cell and molecular dynamic simulations to investigate the behavior of
phononic excitations in liquid Ar. The spectra calculated using molecular
dynamics were found to be in a good agreement with the experimental data.
Furthermore, we observe that, upon temperature increases, a low-frequency
transverse phononic gap emerges while high-frequency propagating modes become
evanescent at the THz scale. The effect of strong localization of a
longitudinal phononic mode in the supercritical phase is observed for the first
time. The evidence for the high-frequency transverse phononic gap due to the
transition from an oscillatory to a ballistic dynamic regimes of motion is
presented and supported by molecular dynamics simulations. This transition
takes place across the Frenkel line thermodynamic limit which demarcates
compressed liquid and non-compressed fluid domains on the phase diagram and is
supported by calculations within the Green-Kubo phenomenological formalism.
These results are crucial to advance the development of novel terahertz thermal
devices, phononic lenses, mirrors, and other THz metamaterials.Comment: 8 pages, 5 figures. arXiv admin note: text overlap with
arXiv:1512.0720
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