in this paper, a new model based on kinetic theory of gases and longitude oscillations of metallic nanocluster on single carbon nanotube (cnt) in addition to phononvibrations of cnt on substrate is presented to describe the growth mechanism of ultra-long cnt in chemical vapor deposition (cvd).interaction between cnt and catalyst is investigated by lennard-jones potential. simulations demonstrat...

We present an approach for the description of fluctuations that are due to finite system size induced correlations in the Kuramoto model of coupled oscillators. We construct a hierarchy for the moments of the density of oscillators that is analogous to the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy in the kinetic theory of plasmas and gases. To calculate the lowest order system size effect, ...

Discrete element based simulations of granular ow in a d velocity space are compared with a particle code that solves kinetic granular ow equations in two and three dimensions The binary collisions of the latter are governed by the same forces as for the discrete elements Both methods are applied to a granular shear ow of equally sized discs and spheres The two dimensional implementation of the...

It is generally believed that the dynamics of simple fluids can be considered to be chaotic, at least to the extent that they can be mod-eled as classical systems of particles interacting with short range, repulsive forces. Here we give a brief introduction to those parts of chaos theory that are relevant for understanding some features of non-equilibrium processes in fluids. We introduce the n...

We investigate the thermodynamics and kinetics of DNA hairpins that fold/unfold under the action of applied mechanical force. We introduce the concept of the molecular free energy landscape and derive simplified expressions for the force dependent Kramers–Bell rates. To test the theory we have designed a specific DNA hairpin sequence that shows two-state cooperative folding under mechanical ten...

The influence of an electron-vibrational coupling on the laser control of electron transport through a molecular wire that is attached to several electronic leads is investigated. These molecular vibrational modes induce an effective electron-electron interaction. In the regime where the wire electrons couple weakly to both the external leads and the vibrational modes, we derive within a Hartre...

Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)] to calculate the large contributions of the nonadditive kinetic potential (NAKP) in such applications. Potential energy curves are computed for the dissocia...

We develop a mesoscopic lattice Boltzmann model for liquid-vapor phase transition by handling the microscopic molecular interaction. The short-range interaction is incorporated recovering an equation of state dense gases, and long-range mimicked introducing pairwise force. Double distribution functions are employed, with density function mass momentum conservation laws innovative total kinetic ...

Recently, the phenomenological description of cosmological particle production processes in terms of effective viscous pressures has attracted some attention. Using a simple creation rate model we discuss the question to what extent this approach is compatible with the kinetic theory of a relativistic gas. We find the effective viscous pressure approach to be consistent with this model for homo...

Quantum plasmas have been studied theoretically for more than four decades. Important early applications include the electron gas in metals and the electron-hole plasma in semiconductors and dimensionally reduced nanostructures. Experiments with lasers and ion beams are now making dense quantum plasmas of electrons and (classical) ions accessible in the laboratory giving rise to increased theor...