How Cooperative are the Dynamics in Tunneling Systems? A Computer Study for an Atomic Model Glass

Via computer simulations of the standard binary Lennard-Jones glass former we have obtained in a systematic way a large set of close-by pairs of minima on the potential energy landscape, i.e. double-well potentials (DWP). We analyze this set of DWP in two directions. At low temperatures the symmetric DWP give rise to tunneling systems. We compare the resulting low-temperature anomalies with those, predicted by the standard tunneling model. Deviations can be traced back to the energy dependence of the relevant quantities like the number of tunneling systems. Furthermore we analyze the local structure around a DWP as well as the translational pattern during the transition between both minima. Local density anomalies are crucial for the formation of a tunneling system. Two very different kinds of tunneling systems are observed, depending on the type of atom (small or large) which forms the center of the tunneling system. In the first case the tunneling system can be interpreted as a single-particle motion, in the second case it is more collective

From coupled elementary units to the complexity of the glass transition

Supercooled liquids display fascinating properties upon cooling such as the emergence of dynamic length scales. Different models strongly vary with respect to the choice of the elementary subsystems (CRR) as well as their mutual coupling. Here we show via computer simulations of a glass former that both ingredients can be identified via analysis of finite-size effects within the continuous-time random walk framework. The CRR already contain complete information about thermodynamics and diffusivity whereas the coupling determines structural relaxation and the emergence of dynamic length scales

Hopping in a Supercooled Lennard-Jones Liquid: Metabasins, Waiting Time Distribution, and Diffusion

We investigate the jump motion among potential energy minima of a Lennard-Jones model glass former by extensive computer simulation. From the time series of minima energies, it becomes clear that the energy landscape is organized in superstructures, called metabasins. We show that diffusion can be pictured as a random walk among metabasins, and that the whole temperature dependence resides in the distribution of waiting times. The waiting time distribution exhibits algebraic decays: $\tau^{-1/2}$ for very short times and $\tau^{-\alpha}$ for longer times, where $\alpha\approx2$ near $T_c$. We demonstrate that solely the waiting times in the very stable basins account for the temperature dependence of the diffusion constant.Comment: to be published in Phys. Rev.

Induced Coherence, Vacuum Fields, and Complementarity in Biphoton Generation

We describe spontaneous parametric down-conversion experiments in which induced coherence across two coupled interferometers results in high-visibility single-photon interference. Opening additional photon channels allows "which-path" information and reduces the visibility of the singlephoton interference, but results in nearly perfect visibility when photons are counted in coincidence. A simplified theoretical model accounts for these complementary observations and attributes them directly to the relations among the vacuum fields at the different crystals.Comment: 4 pages, 5 figure

The cationic energy landscape in alkali silicate glasses: properties and relevance

Individual cationic site--energies are explicitly determined from molecular dynamics simulations of alkali silicate glasses, and the properties and relevance of this local energetics to ion transport are studied. The absence of relaxations on the timescale of ion transport proves the validity of a static description of the energy landscape, as it is generally used in hopping models. The Coulomb interaction among the cations turns out essential to obtain an average energy landscape in agreement with typical simplified hopping models. Strong correlations exist both between neighboring sites and between different energetic contributions at one site, and they shape essential characteristics of the energy landscape. A model energy landscape with a single vacancy is used to demonstrate why average site--energies, including the full Coulomb interaction, are still insufficient to describe the site population of ions, or their dynamics. This model explains how the relationship between energetics and ion dynamics is weakened, and thus establishes conclusively that a hopping picture with static energies fails to capture all the relevant information. It is therefore suggested that alternative simplified models of ion conduction are needed.Comment: 19 pages, 1 table, 7 figures; submitted to JC

Relaxation dynamics of multi-level tunneling systems

A quantum mechanical treatment of an asymmetric double-well potential (DWP) interacting with a heat bath is presented for circumstances where the contribution of higher vibrational levels to the relaxation dynamics cannot be excluded from consideration. The deep quantum limit characterized by a discrete energy spectrum near the barrier top is considered. The investigation is motivated by simulations on a computer glass which show that the considered parameter regime is ``typical'' for DWPs being responsible for the relaxation peak of sound absorption in glasses. Relaxation dynamics resembling the spatial- and energy-diffusion-controlled limit of the classical Kramers' problem, and Arrhenius-like behavior is found under specific conditions.Comment: 23 pages, RevTex, 2 figures can be received from the Authors upon reques