Plenarvorträge - DPG-Tagungen
Plenarvorträge - DPG-Tagungen
Plenarvorträge - DPG-Tagungen
Create successful ePaper yourself
Turn your PDF publications into a flip-book with our unique Google optimized e-Paper software.
Dielektrische Festkörper Dienstag<br />
DF 3 Gläser I (gemeinsam FV DF/DY)<br />
Zeit: Dienstag 09:30–12:30 Raum: H23<br />
Hauptvortrag DF 3.1 Di 09:30 H23<br />
Theory of the glass transition for systems with trivial statics —<br />
•Rolf Schilling 1 and Grzegorz Szamel 2 — 1 Institut für Physik,<br />
Johannes Gutenberg-Universität, D-55099 Mainz — 2 Department of<br />
Chemistry, Colorado State University, Ft. Collins, CO 80523, USA<br />
The mode coupling theory (MCT) derived and investigated in great<br />
detail by Götze and his coworkers has been the most important step towards<br />
the microscopic understanding of the structural glass transition.<br />
MCT yields a glass transition if the static correlations reach a critical<br />
value. However, there exist systems with trivial statics where static correlations<br />
even vanish. Nevertheless they exhibit a discontinuous glass<br />
transition which can not be described by MCT in its present form. In<br />
a first step we have derived a self-consistent equation for the diffusion<br />
constant which yields a continuous transition, in contrast to simulational<br />
results. We show how this drawback can be eliminated by a modification<br />
of the MCT-approximations. As a result MCT-equations are obtained<br />
which are complementary to the original ones. The glass transition is not<br />
driven by the growth of static correlations but by the increase of collision<br />
events between 2, 3 and 4 particles.<br />
DF 3.2 Di 10:15 H23<br />
Mode coupling equations for molecular crystals — •Michael<br />
Ricker und Rolf Schilling — Universität Mainz, Staudinger Weg 7,<br />
55099 Mainz<br />
We have derived the mode coupling equations for molecular crystals<br />
of axially symmetric particles, describing the time evolution of the tensorial<br />
orientational correlators Slm,l ′ m ′(q, t), where lm and l′ m ′ are pairs<br />
of indices for spherical harmonics. These equations have a similar structure<br />
as those for molecular liquids. Differences arise from the possibility<br />
of umklapp-processes in reciprocal space and from the anisotropy of the<br />
lattice. Because of the latter, the three-point correlation function of orientational<br />
density fluctuations, which occurs due to projections during the<br />
calculations, can not be approximated in such an elegant and insightful<br />
way as for liquid systems. Another difference is that only tensorial orientational<br />
correlators with l, l ′ > 0 are involved, since the l = 0 and/or<br />
l ′ = 0 correlators vanish.<br />
If these mode coupling equations can describe the formation of orientational<br />
glasses is currently tested for hard ellipsoids of revolution on a<br />
simple cubic lattice. The static orientational structure factors Slm,l ′ m ′(q),<br />
which are needed as input, are taken from MC simulations and from the<br />
solution of the Ornstein-Zernike equation using the Percus-Yevick approximation.<br />
DF 3.3 Di 10:30 H23<br />
Das β-peak Phänomen in glasbildenden van-der-Waals<br />
Flüssigkeiten — •Matthias Sperl und Wolfgang Götze —<br />
Physik-Department T37, TU München, 85747 Garching<br />
Messungen der Suszeptibilität mittels Optischem Kerr Effekt an Salol<br />
und Benzophenon zeigen strukturelle Relaxation über bis zu fünf<br />
Grössenordnungen in der Zeit. Dabei entsprechen bis zu drei Dekaden<br />
im Anschluß an die Transiente nicht den universellen Skalengesetzen der<br />
Modenkopplungstheorie. Dieses Problem der Datenanalyse wird durch<br />
den Fit der Daten in einem schematischen Modenkopplungsmodell geklärt.<br />
Der bisher unerklärte Zeitbereich in den Daten kann als Charakteristik<br />
eines β-peak Phänomenes verstanden und analytisch beschrieben<br />
werden.<br />
DF 3.4 Di 10:45 H23<br />
Dielectric relaxation in binary organic glass formers: β process<br />
vs. HF-wing scenario and heterogeneous dynamics — •Thomas<br />
Blochowicz and Ernst Rössler — Universität Bayreuth<br />
We study a series of binary mixtures using 2-picoline in oligomeric<br />
styrenes, in particular tri-styrene. The binary mixtures were characterised<br />
by broad band dielectric spectroscopy in the dynamic range 10 −6 −10 7 Hz.<br />
Although neither of the substances shows a secondary relaxation peak in<br />
the neat phase, there appears a strong β-process in the spectra of the<br />
picoline molecules in the mixture. In fact a careful lineshape analysis of<br />
χ ′′ (ω) with a set of appropriate model functions shows that the same process<br />
that is seen as a high frequency wing at high picoline concentrations<br />
becomes a β relaxation at lower concentrations due to a separation of<br />
time scales. Moreover, in the intermediate concentration range a strong<br />
broadening of the spectra as compared to neat picoline is observed. Nonresonant<br />
dielectric hole burning reveals that this broadening is on the<br />
one hand due to pronounced, long-lived dynamic heterogeneities but to<br />
some part also due to intrinsically non-exponential relaxation.<br />
DF 3.5 Di 11:00 H23<br />
Structure and dynamics of Al–Ni melts: Computer simulations<br />
studies — •Jürgen Horbach, Subir Kumar Das, and Kurt<br />
Binder — Institut für Physik, Johannes Gutenberg-Universität,<br />
Staudingerweg 7, D-55099 Mainz<br />
A combination of Monte Carlo (MC) and Molecular Dynamics (MD)<br />
computer simulation techniques is used to study the structure and dynamics<br />
of Al–Ni melts. As a model to describe the interactions between<br />
the atoms we use an embedded atom potential that was recently proposed<br />
by Mishin et al. [Phys. Rev. B 65, 224114 (2002)]. Monte Carlo<br />
simulations in the semigrandcanonical ensemble yield well–equilibrated<br />
configurations that are used in MD runs to study structural and dynamic<br />
properties. For the case of Al4Ni we demonstrate that our simulation is<br />
in very good agreement with the static structure factor and the diffusion<br />
constants as measured recently with neutron scattering by Meyer et al.<br />
We give an interpretation of the prepeak that appears in the total static<br />
structure factor of Al rich melts around 1.3 ˚A −1 . Furthermore we analyze<br />
the dynamics of Al4Ni by means of mode coupling theory and we discuss<br />
the possibility of a fluid–fluid phase separation in Al–Ni mixtures.<br />
DF 3.6 Di 11:15 H23<br />
The mixed alkali effect in ternary silicates: computer simulation<br />
studies — •Hans Knoth, Jürgen Horbach, and Kurt Binder —<br />
Institut für Physik, Staudinger Weg 7, Johannes Gutenberg–Universität,<br />
D–55099 Mainz<br />
Molecular dynamics computer simulations are used to investigate<br />
ternary alkali silicates (1 − x)Li2O·xK2O·2SiO2 (0 ≤ x ≤ 1). These systems<br />
are typical ion conductors which is due to a high mobility of the<br />
alkali ions. The structure and dynamics is studied for molten systems, as<br />
well as at lower temperatures at which only the alkali ions show a diffusive<br />
motion. Our aim is to understand the origin of the so-called mixed<br />
alkali effect (MAE) which is the phenomenon that the diffusion of the<br />
alkali ions is much slower in ternary systems (e.g. x = 0.5) than in the<br />
corresponding binary systems (i.e. x = 0 and x = 1). Preferable sites for<br />
the alkali diffusion are found that are located in a network of channels. In<br />
the ternary system, each alkali species moves in its own channel network<br />
leading to a stronger localization of alkali sites and the MAE.<br />
DF 3.7 Di 11:30 H23<br />
Nearly constant loss behavior in molecular glass-formers —<br />
•Catalin Gainaru, Alberto Rivera, Thomas Blochowicz,<br />
Christian Tschirwitz und Ernst A. Roessler — Experimentalphysik<br />
II, Universitaet Bayreuth, Germany<br />
We study the dielectric response of molecular glass formers showing no<br />
Johari-Goldstein relaxation (type A systems) below the glass transition<br />
temperature by applying the new Andeen Hagerling ultra-precision capacitance<br />
bridge (50 Hz - 20 KHz). In all glass formers we find a nearly<br />
constant loss behavior extending over several decades in frequency and<br />
exhibiting an exponential temperature dependence. Below say 50 K a<br />
crossover to another relaxation phenomena with a pronounced peak is<br />
observed (5 K - 50 K).<br />
DF 3.8 Di 11:45 H23<br />
Secondary relaxation processes in organic glasses - comparison<br />
between dielectric and NMR spectroscopy — •Sorin Adrian<br />
Lusceac, Peter Medick, Catalin Gainaru, and Ernst A.<br />
Rössler — Experimentalphysik II, Universitaet Bayreuth, Germany<br />
Secondary relaxation processes in glasses were discovered using dielectric<br />
spectroscopy. While dielectric spectroscopy is the preferred technique<br />
to study them for obtaining time constants, NMR spectroscopy is a good<br />
candidate to offer extra-information about their nature, in particular<br />
concerning geometry and hindrance of molecular motion. Several organic<br />
glass formers (polybutadiene Mw= 80000g/mol, mixture of benzene and<br />
polybutadiene Mw= 777 and 2110g/mol) are investigated using multidimensional<br />
NMR spectroscopy and the results are compared with those<br />
provided by dielectric spectroscopy. The main purpose is to find a link