Search results for "Statistical Mechanic"
showing 10 items of 707 documents
Nonlinear active micro-rheology in a glass-forming soft-sphere mixture.
2013
We present extensive molecular dynamics computer simulations of a glass-forming Yukawa mixture, investigating the nonlinear response of a single particle that is pulled through the system by a constant force. Structural changes around the pulled particle are analyzed by pair correlation functions, measured in the deeply supercooled state of the system. A regime of intermediate force strengths is found where the structural changes around the pulled particle are small, although its steady-state velocity shows a strong nonlinear response. This nonlinear response regime is characterized by a force-temperature superposition principle of a Peclet number and anisotropic diffusive behavior. In the …
Glass transition of hard spheres in high dimensions
2009
We have investigated analytically and numerically the liquid-glass transition of hard spheres for dimensions $d\to \infty $ in the framework of mode-coupling theory. The numerical results for the critical collective and self nonergodicity parameters $f_{c}(k;d) $ and $f_{c}^{(s)}(k;d) $ exhibit non-Gaussian $k$ -dependence even up to $d=800$. $f_{c}^{(s)}(k;d) $ and $f_{c}(k;d) $ differ for $k\sim d^{1/2}$, but become identical on a scale $k\sim d$, which is proven analytically. The critical packing fraction $\phi_{c}(d) \sim d^{2}2^{-d}$ is above the corresponding Kauzmann packing fraction $\phi_{K}(d)$ derived by a small cage expansion. Its quadratic pre-exponential factor is different fr…
Stable topological textures in a classical 2D Heisenberg model
2009
We show that stable localized topological soliton textures (skyrmions) with $\pi_2$ topological charge $\nu \geq 1$ exist in a classical 2D Heisenberg model of a ferromagnet with uniaxial anisotropy. For this model the soliton exist only if the number of bound magnons exceeds some threshold value $N_{\rm cr}$ depending on $\nu $ and the effective anisotropy constant $K_{\rm eff}$. We define soliton phase diagram as the dependence of threshold energies and bound magnons number on anisotropy constant. The phase boundary lines are monotonous for both $\nu=1$ and $\nu >2$, while the solitons with $\nu=2$ reveal peculiar nonmonotonous behavior, determining the transition regime from low to high …
Evaluating Thermal Corrections for Adsorption Processes at the Metal/Gas Interface
2019
International audience; Adsorption and desorption steps are key for active catalysts and rely on a subtle balance between enthalpic and entropic terms. While the enthalpic term is becoming ever more accurate through density functional development, the entropic term remains underrated and its precise determination a great challenge. In this work, we have performed extensive first principles thermodynamic integration (TI) simulations for the 1 adsorption of small (e.g., CO) to larger (e.g., phenol) molecules at metallic surfaces and compared their adsorption free energies to the values obtained by vertical, static statistical mechanics approximations to thermal corrections invoking three diff…
Langevin Approach to Levy Flights in Fixed Potentials: Exact Results for Stationary Probability Distributions
2008
The functional method to derive the fractional Fokker-Planck equation for probability distribution from the Langevin equation with Levy stable noise is proposed. For the Cauchy stable noise we obtain the exact stationary probability density function of Levy flights in different smooth potential profiles. We find confinement of the particle in the superdiffusion motion with a bimodal stationary distribution for all the anharmonic symmetric monostable potentials investigated. The stationary probability density functions show power-law tails, which ensure finiteness of the variance. By reviewing recent results on these statistical characteristics, the peculiarities of Levy flights in compariso…
NOISE EFFECTS IN POLYMER DYNAMICS
2008
The study of the noise induced effects on the dynamics of a chain molecule crossing a potential barrier, in the presence of a metastable state, is presented. A two-dimensional stochastic version of the Rouse model for a flexible polymer has been adopted to mimic the molecular dynamics and to take into account the interactions between adjacent monomers. We obtain a nonmonotonic behavior of the mean first passage time and its standard deviation, of the polymer centre of inertia, with the noise intensity. These findings reveal a noise induced effect on the mean crossing time. The role of the polymer length is also investigated.
Anomalous Spreading of Power-Law Quantum Wave Packets
1999
We introduce power-law tail quantum wave packets. We show that they can be seen as eigenfunctions of a Hamiltonian with a physical potential. We prove that the free evolution of these packets presents an asymptotic decay of the maximum of the wave packets which is anomalous for an interval of the characterizing power-law exponent. We also prove that the number of finite moments of the wave packets is a conserved quantity during the evolution of the wave packet in the free space.
Exponential Relaxation out of Nonequilibrium
1989
Simulation results are presented for a quench from a disordered state to a state below the coexistence curve. The model which we consider is the Ising model but with the dynamics governed by the Swendsen-Wang transition probabilities. We show that the resulting domain growth has an exponential instead of a power law behaviour and that the system is non-self-averaging while in nonequilibrium. The simulations were carried out on a parallel computer with up to 128 processors.
Spectral energy distribution and generalized Wien's law for photons and cosmic string loops
2014
Physical objects with energy $u_w(l) \sim l^{-3w}$ with $l$ characteristic length and $w$ a dimensionless constant, lead to an equation of state $p=w\rho$, with $p$ the pressure and $\rho$ the energy density. Special entities with thisbproperty are, for instance, photons ($u = hc/l$, with $l$ the wavelength) with $w = 1/3$, and some models of cosmic string loops ($u =(c^4/aG)l$, with $l$ the length of the loop and $a$ a numerical constant), with $w = -1/3$. Here, we discuss some features of the spectral energy distribution of these systems and the corresponding generalization of Wien's law, which in terms of $l$ has the form $Tl_{mp}^{3w}=constant$, being $l_{mp}$ the most probable size of …
Strongly confined fluids: Diverging time scales and slowing down of equilibration
2016
The Newtonian dynamics of strongly confined fluids exhibits a rich behavior. Its confined and unconfined degrees of freedom decouple for confinement length $L \to 0$. In that case and for a slit geometry the intermediate scattering functions $S_{\mu\nu}(q,t)$ simplify, resulting for $(\mu,\nu) \neq (0,0)$ in a Knudsen-gas like behavior of the confined degrees of freedom, and otherwise in $S_{\parallel}(q,t)$, describing the structural relaxation of the unconfined ones. Taking the coupling into account we prove that the energy fluctuations relax exponentially. For smooth potentials the relaxation times diverge as $L^{-3}$ and $L^{-4}$, respectively, for the confined and unconfined degrees of…