Temperature dependence of spatially heterogeneous dynamics in a model of viscous silica

Molecular dynamics simulations are performed to study spatially heterogeneous dynamics in a model of viscous silica above and below the critical temperature of the mode coupling theory, $T_{MCT}$. Specifically, we follow the evolution of the dynamic heterogeneity as the temperature dependence of the transport coefficients shows a crossover from non-Arrhenius to Arrhenius behavior when the melt is cooled. It is demonstrated that, on intermediate time scales, a small fraction of oxygen and silicon atoms are more mobile than expected from a Gaussian approximation. These highly mobile particles form transient clusters larger than that resulting from random statistics, indicating that dynamics are spatially heterogeneous. An analysis of the clusters reveals that the mean cluster size is maximum at times intermediate between ballistic and diffusive motion, and the maximum size increases with decreasing temperature. In particular, the growth of the clusters continues when the transport coefficients follow an Arrhenius law. These findings imply that the structural relaxation in silica cannot be understood as a statistical bond breaking process. Though the mean cluster sizes for silica are at the lower end of the spectrum of values reported in the literature, we find that spatially heterogeneous dynamics in strong and fragile glass formers are similar on a qualitative level. However, different from results for fragile liquids, we show that correlated particle motion along quasi one-dimensional, string-like paths is of little importance for the structural relaxation in this model of silica, suggesting that string-like motion is suppressed by the presence of covalent bonds.Comment: 13 pages, 11 figure

Growing spatial correlations of particle displacements in a simulated liquid on cooling toward the glass transition

We define a correlation function that quantifies the spatial correlation of single-particle displacements in liquids and amorphous materials. We show for an equilibrium liquid that this function is related to fluctuations in a bulk dynamical variable. We evaluate this function using computer simulations of an equilibrium glass-forming liquid, and show that long range spatial correlations of displacements emerge and grow on cooling toward the mode coupling critical temperature

On the Approach to the Equilibrium and the Equilibrium Properties of a Glass-Forming Model

In this note we apply some theoretical predictions that arise in the mean field framework for a large class of infinite range models to structural glasses and we present a first comparison of these predictions with numerical results.Comment: 22 pages, 15 figure

A tentative Replica Study of the Glass Transition

We propose a method to study quantitatively the glass transition in a system of interacting particles. In spite of the absence of any quenched disorder, we introduce a replicated version of the hypernetted chain equations. The solution of these equations, for hard or soft spheres, signals a transition to the glass phase. However the predicted value of the energy and specific heat in the glass phase are wrong, calling for an improvement of this method.Comment: 9 pages, four postcript figures attache

Power exhaust concepts and divertor designs for Japanese and European DEMO fusion reactors

Concepts of the power exhaust and divertor design have been developed, with a high priority in the pre-conceptual design phase of the Japan-Europe broader approach DEMO design activity (BA DDA). Common critical issues are the large power exhaust and its fraction in the main plasma and divertor by the radiative cooling (P radtot/P heat 0.8). Different exhaust concepts in the main plasma and divertor have been developed for Japanese (JA) and European (EU) DEMOs. JA proposed a conventional closed divertor geometry to challenge large P sep/R p handling of 30-35 MW m-1 in order to maintain the radiation fraction in the main plasma at the ITER-level (f radmain = P radmain/P heat ∼ 0.4) and higher plasma performance. EU challenged both increasing f radmain to ∼0.65 and handling the ITER-level P sep/R p in the open divertor geometry. Power exhaust simulations have been performed by SONIC (JA) and SOLPS5.1 (EU) with corresponding P sep = 250-300 MW and 150-200 MW, respectively. Both results showed that large divertor radiation fraction (P raddiv/P sep 0.8) was required to reduce both peak q target (10 MW m-2) and T e,idiv. In addition, the JA divertor performance with EU-reference P sep of 150 MW showed benefit of the closed geometry to reduce the peak q target and T e,idiv near the separatrix, and to produce the partial detachment. Integrated designs of the water cooled divertor target, cassette and coolant pipe routing have been developed in both EU and JA, based on the tungsten (W) monoblock concept with Cu-alloy pipe. For year-long operation, DEMO-specific risks such as radiation embrittlement of Cu-interlayers and Cu-alloy cooling pipe were recognized, and both foresee higher water temperature (130 °C-200 °C) compared to that for ITER. At the same time, several improved technologies of high heat flux components have been developed in EU, and different heat sink design, i.e. Cu-alloy cooling pipes for targets and RAFM steel ones for the baffle, dome and cassette, was proposed in JA. The two approaches provide important case-studies of the DEMO divertor, and will significantly contribute to both DEMO designs

Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility

We have performed a molecular dynamics computer simulation of a supercooled binary Lennard-Jones system in order to compare the dynamical behavior of this system with the predictions of the idealized version of mode-coupling theory (MCT). By scaling the time $t$ by the temperature dependent $\alpha$-relaxation time $\tau(T)$, we find that in the $\alpha$-relaxation regime $F(q,t)$ and $F_s(q,t)$, the coherent and incoherent intermediate scattering functions, for different temperatures each follows a $q$-dependent master curve as a function of scaled time. We show that during the early part of the $\alpha$-relaxation, which is equivalent to the late part of the $\beta$-relaxation, these master curves are well approximated by the master curve predicted by MCT for the $\beta$-relaxation. This part is also fitted well by a power-law, the so-called von Schweidler law. We show that the effective exponent $b'$ of this power-law depends on the wave vector $q$ if $q$ is varied over a large range. The early part of the $\beta$-relaxation regime does not show the critical decay predicted by MCT. The $q$-dependence of the nonergodicity parameter for $F_{s}(q,t)$ and $F(q,t)$ are in qualitative agreement with MCT. On the time scale of the late $\alpha$-relaxation the correlation functions show a Kohlrausch-Williams-Watt behavior (KWW). The KWW exponent $\beta$ is significantly different from the effective von Schweidler exponent $b'$. At low temperatures the $\alpha$-relaxation time $\tau(T)$ shows a power-law behavior with a critical temperature that is the same as the one found previously for the diffusion constant [Phys. Rev. Lett. {\bf 73}, 1376 (1994)]. The critical exponent of this power-law and the von Schweidler exponent $b'$ fulfill the connection proposed by MCT between these two quantities. We also show that theComment: 28 Pages of REVTEX, Figures available from W. Ko

Time and length scales in supercooled liquids

We numerically obtain the first quantitative demonstration that development of spatial correlations of mobility as temperature is lowered is responsible for the ``decoupling'' of transport properties of supercooled liquids. This result further demonstrates the necessity of a spatial description of the glass formation and therefore seriously challenges a number of popular alternative theoretical descriptions.Comment: 4 pages, 4 figs; improved version: new refs and discussion