No Arabic abstract
We propose a variational approach to study renormalized phonons in momentum conserving nonlinear lattices with either symmetric or asymmetric potentials. To investigate the influence of pressure to phonon properties, we derive an inequality which provides both the lower and upper bound of the Gibbs free energy as the associated variational principle. This inequality is a direct extension to the Gibbs-Bogoliubov inequality. Taking the symmetry effect into account, the reference system for the variational approach is chosen to be harmonic with an asymmetric quadratic potential which contains variational parameters. We demonstrate the power of this approach by applying it to one dimensional nonlinear lattices with a symmetric or asymmetric Fermi-Pasta- Ulam type potential. For a system with a symmetric potential and zero pressure, we recover existing results. For other systems which beyond the scope of existing theories, including those having the symmetric potential and pressure, and those having the asymmetric potential with or without pressure, we also obtain accurate sound velocity.
We study heat conduction in one dimensional (1D) anharmonic lattices analytically and numerically by using an effective phonon theory. It is found that every effective phonon mode oscillates quasi-periodically. By weighting the power spectrum of the total heat flux in the Debye formula, we obtain a unified formalism that can explain anomalous heat conduction in momentum conserved lattices without on-site potential and normal heat conduction in lattices with on-site potential. Our results agree very well with numerical ones for existing models such as the Fermi-Pasta-Ulam model, the Frenkel-Kontorova model and the $phi^4$ model etc.
Heat transport in one-dimensional (1D) momentum-conserving lattices is generally assumed to be anomalous, thus yielding a power-law divergence of thermal conductivity with system length. However, whether heat transport in two-dimensional (2D) system is anomalous or not is still on debate because of the difficulties involved in experimental measurements or due to the insufficiently large simulation size. Here, we simulate energy and momentum diffusion in the 2D nonlinear lattices using the method of fluctuation correlation functions. Our simulations confirm that energy diffusion in the 2D momentum-conserving lattices is anomalous and can be well described by the L{e}vy-stable distribution. We also find that the disappear of side peaks of heat mode may suggest a weak coupling between heat mode and sound mode in the 2D nonlinear system. It is also observed that the harmonic interactions in the 2D nonlinear lattices can accelerate the energy diffusion. Contrary to the hypothesis of 1D system, we clarify that anomalous heat transport in the 2D momentum-conserving system cannot be corroborated by the momentum superdiffusion any more. Moreover, as is expected, lattices with a nonlinear on-site potential exhibit normal energy diffusion, independent of the dimension. Our findings offer some valuable insights into the mechanism of thermal transport in 2D system.
We address the problem of heat conduction in 1-D nonlinear chains; we show that, acting on the parameter which controls the strength of the on site potential inside a segment of the chain, we induce a transition from conducting to insulating behavior in the whole system. Quite remarkably, the same transition can be observed by increasing the temperatures of the thermal baths at both ends of the chain by the same amount. The control of heat conduction by nonlinearity opens the possibility to propose new devices such as a thermal rectifier.
In this paper we combine two powerful computational techniques, well-tempered metadynamics and time lagged independent component analysis. The aim is to develop a new tool for studying rare events and exploring complex free energy landscapes. Metadynamics is a well-established and widely used enhanced sampling method whose efficiency depends on an appropriate choice of collective variables. Often the initial choice is not optimal leading to slow convergence. However by analyzing the dynamics generated in one such a run with a time-lagged independent component analysis and the techniques recently developed in the area of conformational dynamics, we obtain much more efficient collective variables, that are also better capable of illuminating the physics of the system. We demonstrate the power of this approach in two paradigmatic examples.
The effectiveness of the variational approach a la Feynman is proved in the spin-boson model, i.e. the simplest realization of the Caldeira-Leggett model able to reveal the quantum phase transition from delocalized to localized states and the quantum dissipation and decoherence effects induced by a heat bath. After exactly eliminating the bath degrees of freedom, we propose a trial, non local in time, interaction between the spin and itself simulating the coupling of the two level system with the bosonic bath. It stems from an Hamiltonian where the spin is linearly coupled to a finite number of harmonic oscillators whose frequencies and coupling strengths are variationally determined. We show that a very limited number of these fictitious modes is enough to get a remarkable agreement, up to very low temperatures, with the data obtained by using an approximation-free Monte Carlo approach, predicting: 1) in the Ohmic regime, a Beretzinski-Thouless-Kosterlitz quantum phase transition exhibiting the typical universal jump at the critical value; 2) in the sub-Ohmic regime ($s leq 0.5$), mean field quantum phase transitions, with logarithmic corrections for $s=0.5$.