Setup for Characterization of the Non-Linear Electric Susceptibility in the Microwave Range Applied to a Glass Ceramic
A resonator method exciting eigenresonances of three coupled cylindrical dielectric resonators allows characterizing the non-linear response of low loss and high permittivity materials at frequencies of about 1 GHz. To reach the necessary sensitivity for dielectric non-linearities, the setup ensures that the measured intermodulation can be ascribed to the material under test while all other intermodulation sources are excluded. Electric field amplitudes of several V/mm are obtained at an input power of 100 W. The setup was used to characterize the third order non-linear susceptibility of a glass ceramic.
Fluids of hard ellipsoids: Phase diagram including a nematic instability from Percus-Yevick theory
An important aspect of molecular fluids is the relation between orientation and translation parts of the two-particle correlations. Especially the detailed knowledge of the influence of orientation correlations is needed to explain and calculate in detail the occurrence of a nematic phase. The simplest model system which shows both orientation and translation correlations is a system of hard ellipsoids. We investigate an isotropic fluid formed of hard ellipsoids with Percus-Yevick theory. Solving the Percus-Yevick equations self-consistently in the high density regime gives a clear criterion for a nematic instability. We calculate in detail the equilibrium phase diagram for a fluid of hard …
Description of intermodulation generation of nonlinear responses beyond the validity of the power series expansion
Weakly nonlinear responses are commonly described by a power series expansion. However, intermodulation distortion products that cannot be described by a power series have been observed in a variety of physical systems. As the power series description is only applicable within its radius of convergence, we choose an alternative approach based on Fourier coefficients to describe intermodulation levels beyond the convergence of the power series. The description over a wide power range allows us to make a decision about models and to determine previously inaccessible model parameters. We apply the approach to data obtained from the characterization of the nonlinear dielectric susceptibility of…
On the theory of light scattering in molecular liquids
The theory of light scattering for a system of linear molecules with anisotropic polarizabilities is considered. As a starting point for our theory, we express the result of a scattering experiment in VV and VH symmetry as dynamic correlation functions of tensorial densities $\rho_{lm}(q)$ with $l=0$ and $l=2$. $l$, $m$ denote indices of spherical harmonics. To account for all observed hydrodynamic singularities, a generalization of the theory of Schilling and Scheidsteger \cite{schilling97} for these correlation functions is presented, which is capable to describe the light scattering experiments from the liquid regime to the glassy state. As a microscopic theory it fulfills all sum rules …
The electron gas with short coherence length pairs: how to approach the stronger coupling limit?
Abstract The attractive Hubbard model is investigated in 2D using a T -matrix approach. In a self-consistent calculation pairs as infinite lifetime Bosons only exist in the atomic limit and therefore a Fermi surface can be investigated also in the stronger coupling regime. A heavy quasiparticle peak with a weak dispersion crosses the Fermi surface at k F whereas light, single particle excitations do only exist far away from the Fermi surface. At low temperatures there seem to exist different self-consistent solutions. In one of them a pseudogap opens even in the integrated density of states. In the present work accurate k -dependent and k -integrated spectral quantities for a 2D finite latt…
Dynamical precursor of nematic order in a dense fluid of hard ellipsoids of revolution
We investigate hard ellipsoids of revolution in a parameter regime where no long range nematic order is present but already finite size domains are formed which show orientational order. Domain formation leads to a substantial slowing down of a collective rotational mode which separates well from the usual microscopic frequency regime. A dynamic coupling of this particular mode into all other modes provides a general mechanism which explains an excess peak in spectra of molecular fluids. Using molecular dynamics simulation on up to 4096 particles and on solving the molecular mode coupling equation we investigate dynamic properties of the peak and prove its orientational origin.
Ideal glass transitions for hard ellipsoids
For hard ellipsoids of revolution we calculate the phase diagram for the idealized glass transition. Our equations cover the glass physics in the full phase space, for all packing fractions and all aspect ratios X$_0$. With increasing aspect ratio we find the idealized glass transition to become primarily be driven by orientational degrees of freedom. For needle or plate like systems the transition is strongly influenced by a precursor of a nematic instability. We obtain three types of glass transition lines. The first one ($\phi_c^{(B)}$) corresponds to the conventional glass transition for spherical particles which is driven by the cage effect. At the second one ($\phi_c^{(B')}$) which oc…
Mode coupling theory for molecular liquids: What can we learn from a system of hard ellipsoids?
Molecular fluids show rich and complicated dynamics close to the glass transition. Some of these observations are related to the fact that translational and orientational degrees of freedom couple in nontrivial ways. A model system which can serve as a paradigm to understand these couplings is a system of hard ellipsoids of revolution. To test this we compare at the ideal glass transition the static molecular correlators of a linear A-B Lennard-Jones molecule obtained from a molecular dynamics simulation with a selected fluid of hard ellipsoids for which the static correlators have been obtained using Percus-Yevick theory. We also demonstrate that the critical non-ergodicity parameters obta…
Microwave properties and structure of La–Ti–Si–B–O glass-ceramics for applications in GHz electronics
Abstract A dielectric bulk glass-ceramic of the La 2 O 3 –TiO 2 –SiO 2 –B 2 O 3 system is developed which is able to fulfill the requirements for dielectric loading-based mobile communication technologies. It is shown that the given dielectric requirements can be fulfilled by glass-ceramic materials without being dependent on ceramic processing techniques. The material exhibited permittivity values of 20 ɛ r Qf τ f τ f material with a Qf value of 9500 GHz and ɛ r = 21.4 could be achieved at a ceramming temperature T cer = 870 °C. The material is aimed to provide an alternative to existing, commercially used sintered ceramic materials. Further focus is laid on the investigation of the dom…
Negative thermal expansion of quartz glass at low temperatures: An ab initio simulation study
Abstract Using a mixed classical Molecular dynamics (MD)/ab initio simulation scheme combined with a quasi-harmonic approximation, we calculate the linear thermal expansion coefficient αL(T) in vitreous silica glasses. The systems are first cooled down by classical MD simulations. Then they are structurally relaxed by ab initio DFT calculations. The vibrational properties are calculated employing the frozen phonon method, and these results are finally used to calculate the Helmholtz free energy as a function of volume. In agreement with experiments, our simulations predict that αL(T) is negative at low temperatures up to T ≈ 150 K. In this low-temperature regime, the simulation results are …
Microscopic Dynamics of Hard Ellipsoids in their Liquid and Glassy Phase
To investigate the influence of orientational degrees of freedom onto the dynamics of molecular systems in its supercooled and glassy regime we have solved numerically the mode-coupling equations for hard ellipsoids of revolution. For a wide range of volume fractions $\phi$ and aspect ratios $x_{0}$ we find an orientational peak in the center of mass spectra $\chi_{000}^{''}(q,\omega)$ and $\phi_{000}^{''} (q,\omega)$ about one decade below a high frequency peak. This orientational peak is the counterpart of a peak appearing in the quadrupolar spectra $\chi_{22m}^{''}(q,\omega)$ and $\phi_{22m}^{''}(q,\omega)$. The latter peak is almost insensitive on $\phi$ for $x_{0}$ close to one, i.e. f…
Thermoelectric properties of p-type Bi2Sr2Co2O9 glass-ceramics
In the oxide system of Bi–Sr–Co glass melts have been prepared by adding a small amount of glass formers. A crystallization leads to crystalline phases of Bi8Sr8Co4O25, BiSrCo2Ox and Bi2Sr2Co2O9 (BC-222) densely embedded into a residual glass phase. This work shows the possibility of obtaining microstructured bulk material with low thermal conductivity and relatively high electrical conductivity via such a glass ceramic approach. Furthermore the stability of these materials under thermal cycling for temperatures up to 700 °C is shown. A characterization of the thermoelectric properties leads to a figure of merit (ZT) between 0.008 and 0.018.
Structure and dynamics of B2O3 melts and glasses: From ab initio to classical molecular dynamics simulations
Abstract Boron oxide (B2O3) is investigated by a combination of ab initio (DFT-based) molecular dynamics (MD) simulations and classical MD simulations. From the trajectories of the ab initio MD simulation, we derive a three-body interaction potential which is used in classical MD simulations to study various structural and dynamic properties on larger time and length scales than possible in the ab initio simulations. Differences and similarities to the structure and dynamics of other network glass formers such as SiO2 and GeO2 are discussed. Moreover, various properties as obtained from the simulations are compared to those from experiments of B2O3.
A microscopic model for long-term laser damage in calcium fluoride
Single crystal calcium fluoride (CaF 2 ) is an important lens material in deep-ultraviolet optics, where it is exposed to high radiation densities. The known rapid damage process in CaF 2 upon ArF laser irradiation cannot account for irreversible damage after long irradiation times. We use density functional methods to calculate the properties of laser-induced point defects and to investigate defect stabilization mechanisms on a microscopic level. The mobility of the point defects plays a major role in the defect stabilization mechanisms. Besides stabilization by impurities, we find that the agglomeration of F-centers plays a significant role in long-term laser damage of CaF 2 . We present …
High sensitivity characterization of the nonlinear electric susceptibility of a glass ceramic in the microwave range
The nonlinear electric susceptibility of a glass ceramic is characterized in the microwave range by measuring intermodulation of two high-power signals. To achieve the necessary sensitivity for dielectric nonlinearities, the setup ensures that the measured intermodulation can be ascribed to the material under test while all other intermodulation sources are suppressed. This is achieved by coupling three dielectric resonators in a cut-off waveguide. The third order nonlinearity of the glass ceramic is found to be χ3/er = (1.6 ± 0.8) × 10−15 m2/V2 at 950 MHz. The magnitude is comparable to the previously measured high-end sintered ceramics. The power of the intermodulation signal as a functio…
The electron gas with a strong pairing interaction: Three particle correlations and the Thouless instability
We derive simplified Faddeev type equations for the three particle T-matrix which are valid in the Hubbard model where only electrons with opposite spins interact. Using the approximation of dynamical mean field theory these equations are partially solved numerically for the attractive Hubbard model. It is shown that the three particle T-matrix contains a term vanishing $\sim T^2$ at the Thouless (or BCS) instability where the two-particle T-matrix diverges. Based on the three particle term we further derive the low density - strong coupling extension for the two-particle vertex function. We therefore understand our equations as a step towards a systematic low density expansion from the wea…
Microscopic dynamics of molecular liquids and glasses: Role of orientations and translation-rotation coupling
We investigate the dynamics of a fluid of dipolar hard spheres in its liquid and glassy phase, with emphasis on the microscopic time or frequency regime. This system shows rather different glass transition scenarios related to its rich equilibrium behavior which ranges from a simple hard sphere fluid to a long range ferroelectric orientational order. In the liquid phase close to the ideal glass transition line and in the glassy regime a medium range orientational order occurs leading to a softening of an orientational mode. To investigate the role of this mode we use the molecular mode-coupling equations to calculate the spectra $\phi_{lm}^{\prime \prime}(q,\omega)$ and $\chi _{lm}''(q,\ome…