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There has been a resurgence of interest in using origami principles--along with $2$D materials--to design a wide array of nanoscale devices. In this work, we take cognizance of the fact that small-scale devices are vulnerable to entropic…
At separations below 100 nm, Casimir-Lifshitz forces strongly influence the actuation dynamics of micro-electromechanical systems (MEMS) in dry vacuum conditions. For a micron size plate oscillating near a surface, which mimics a frequently…
We have investigated by molecular dynamics method the influence of a finite number of particles used in computer simulations on fluctuations of thermodynamic properties. As a case study, we used the two-dimensional Lennard-Jones system. 2D…
Molecular dynamics simulations of a quasi-harmonic solid are conducted to elucidate the meaning of temperature fluctuations in canonical systems and validate a well-known but frequently contested equation predicting the mean square of such…
Fluctuations arising in nonlinear dissipative systems (diode, transistors, chemical reaction, etc.) subject to an external drive (voltage, chemical potential, etc.) are well known to elude any simple characterization such as the…
We combine electromechanical measurements with {\em ab initio} density functional calculations to settle the controversy about the origin of torsion-induced conductance oscillations in multi-wall carbon nanotubes. According to our…
We examine the question of whether the formal expressions of equilibrium statistical mechanics can be applied to time independent non-dissipative systems that are not in true thermodynamic equilibrium and are nonergodic. By assuming the…
We present the results of analytical study and Molecular Dynamics simulation of low energy nonlinear non-stationary dynamics of single-walled carbon nanotubes (CNTs). New phenomena of intensive energy exchange between different parts of CNT…
Nanoelectromechanical systems (NEMSs) are emerging nanoscale elements at the crossroads between mechanics, optics and electronics, with significant potential for actuation and sensing applications. The reduction of dimensions compared to…
The one-dimensional confinement of quasiparticles in individual carbon nanotubes (CNTs) leads to extremely anisotropic electronic and optical properties. In a macroscopic ensemble of randomly oriented CNTs, this anisotropy disappears…
Disorder effects on the density of states and electronic conduction in metallic carbon nanotubes are analyzed by a tight binding model with Gaussian bond disorder. Metallic armchair and zigzag nanotubes are considered. We obtain a…
The Nose-Hoover thermostat is a deterministic dynamical system designed for computing phase space integrals for the canonical Gibbs distribution. Newton's equations are modified by coupling an additional reservoir variable to the physical…
Thermal fluctuations strongly modify the large length-scale elastic behavior of crosslinked membranes, giving rise to scale-dependent elastic moduli. While thermal effects in flat membranes are well understood, many natural and artificial…
We study the use of the Evans Nonequilibrium Molecular Dynamics (NEMD) heat flow algorithm for the computation of the heat conductivity in one-dimensional lattices. For the well-known Fermi-Pasta-Ulam (FPU) model, it is shown that when the…
The correlation of phase fluctuations in any type of oscillator fundamentally defines its spectral shape. However, in nonlinear oscillators, such as spin torque nano oscillators, the frequency spectrum can become particularly complex. This…
Thermo-osmotic and related thermo-phoretic phenomena can be found in many situations from biology to colloid science, but the underlying molecular mechanisms remain largely unexplored. Using molecular dynamics simulations, we measured the…
The O(N) and parallelization techniques have been successfully applied in tight-binding molecular-dynamics simulations of single-walled carbon nanotubes (SWNTs) of various chiralities. The accuracy of the O(N) description is found to be…
In the quest for high-performance quantum thermal machines, looking for an optimal thermodynamic efficiency is only part of the issue. Indeed, at the level of quantum devices, fluctuations become extremely relevant and need to be taken into…
We investigate theoretically the electromechanical properties of freely suspended nanowires that are in tunnelling contact with the tip of a scanning tunnelling microscope (STM) and two supporting metallic leads. The aim of our analysis is…
We use the formerly derived explicit analytical expressions for the conductivity of nanostructured superconductors supercooled below the critical temperature in electric field. Computer simulations reveal that the negative differential…