Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundaments for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.Comment: 95 pages, 48 figure

The GOODSTEP project: General Object-Oriented Database for Software Engineering Processes

The goal of the GOODSTEP project is to enhance and improve the functionality of a fully object-oriented database management system to yield a platform suited for applications such as software development environments (SDEs). The baseline of the project is the O2 database management system (DBMS). The O2 DBMS already includes many of the features regulated by SDEs. The project has identified enhancements to O2 in order to make it a real software engineering DBMS. These enhancements are essentially upgrades of the existing O2 functionality, and hence require relatively easy extensions to the O2 system. They have been developed in the early stages of the project and are now exploited and validated by a number of software engineering tools built on top of the enhanced O2 DBMS. To ease tool construction, the GOODSTEP platform encompasses tool generation capabilities which allow for generation of integrated graphical and textual tools from high-level specifications. In addition, the GOODSTEP platform provides a software process toolset which enables modeling, analysis and enaction of software processes and is also built on top of the extended O2 database. The GOODSTEP platform is to be validated using two CASE studies carried out to develop an airline application and a business application

Complex networks embedded in space: Dimension and scaling relations between mass, topological distance and Euclidean distance

Many real networks are embedded in space, where in some of them the links length decay as a power law distribution with distance. Indications that such systems can be characterized by the concept of dimension were found recently. Here, we present further support for this claim, based on extensive numerical simulations for model networks embedded on lattices of dimensions $d_e=1$ and $d_e=2$. We evaluate the dimension $d$ from the power law scaling of (a) the mass of the network with the Euclidean radius $r$ and (b) the probability of return to the origin with the distance $r$ travelled by the random walker. Both approaches yield the same dimension. For networks with $\delta < d_e$, $d$ is infinity, while for $\delta > 2d_e$, $d$ obtains the value of the embedding dimension $d_e$. In the intermediate regime of interest $d_e \leq \delta < 2 d_e$, our numerical results suggest that $d$ decreases continously from $d = \infty$ to $d_e$, with $d - d_e \sim (\delta - d_e)^{-1}$ for $\delta$ close to $d_e$. Finally, we discuss the scaling of the mass $M$ and the Euclidean distance $r$ with the topological distance $\ell$. Our results suggest that in the intermediate regime $d_e \leq \delta < 2 d_e$, $M(\ell)$ and $r(\ell)$ do not increase with $\ell$ as a power law but with a stretched exponential, $M(\ell) \sim \exp [A \ell^{\delta' (2 - \delta')}]$ and $r(\ell) \sim \exp [B \ell^{\delta' (2 - \delta')}]$, where $\delta' = \delta/d_e$. The parameters $A$ and $B$ are related to $d$ by $d = A/B$, such that $M(\ell) \sim r(\ell)^d$. For $\delta < d_e$, $M$ increases exponentially with $\ell$, as known for $\delta=0$, while $r$ is constant and independent of $\ell$. For $\delta \geq 2d_e$, we find power law scaling, $M(\ell) \sim \ell^{d_\ell}$ and $r(\ell) \sim \ell^{1/d_{min}}$, with $d_\ell \cdot d_{min} = d$.Comment: 17 pages, 11 figure

Falsification Of The Atmospheric CO2 Greenhouse Effects Within The Frame Of Physics

The atmospheric greenhouse effect, an idea that many authors trace back to the traditional works of Fourier (1824), Tyndall (1861), and Arrhenius (1896), and which is still supported in global climatology, essentially describes a fictitious mechanism, in which a planetary atmosphere acts as a heat pump driven by an environment that is radiatively interacting with but radiatively equilibrated to the atmospheric system. According to the second law of thermodynamics such a planetary machine can never exist. Nevertheless, in almost all texts of global climatology and in a widespread secondary literature it is taken for granted that such mechanism is real and stands on a firm scientific foundation. In this paper the popular conjecture is analyzed and the underlying physical principles are clarified. By showing that (a) there are no common physical laws between the warming phenomenon in glass houses and the fictitious atmospheric greenhouse effects, (b) there are no calculations to determine an average surface temperature of a planet, (c) the frequently mentioned difference of 33 degrees Celsius is a meaningless number calculated wrongly, (d) the formulas of cavity radiation are used inappropriately, (e) the assumption of a radiative balance is unphysical, (f) thermal conductivity and friction must not be set to zero, the atmospheric greenhouse conjecture is falsified.Comment: 115 pages, 32 figures, 13 tables (some typos corrected

Spin-Glass State in CuGa2O4\rm CuGa_2O_4

Magnetic susceptibility, magnetization, specific heat and positive muon spin relaxation (\musr) measurements have been used to characterize the magnetic ground-state of the spinel compound $\rm CuGa_2O_4$. We observe a spin-glass transition of the S=1/2 $\rm Cu^{2+}$ spins below $\rm T_f=2.5K$ characterized by a cusp in the susceptibility curve which suppressed when a magnetic field is applied. We show that the magnetization of $\rm CuGa_2O_4$ depends on the magnetic histo Well below $\rm T_f$, the muon signal resembles the dynamical Kubo-Toyabe expression reflecting that the spin freezing process in $\rm CuGa_2O_4$ results Gaussian distribution of the magnetic moments. By means of Monte-Carlo simulati we obtain the relevant exchange integrals between the $\rm Cu^{2+}$ spins in this compound.Comment: 6 pages, 16 figure

Generation of defects and disorder from deeply quenching a liquid to form a solid

We show how deeply quenching a liquid to temperatures where it is linearly unstable and the crystal is the equilibrium phase often produces crystalline structures with defects and disorder. As the solid phase advances into the liquid phase, the modulations in the density distribution created behind the advancing solidification front do not necessarily have a wavelength that is the same as the equilibrium crystal lattice spacing. This is because in a deep enough quench the front propagation is governed by linear processes, but the crystal lattice spacing is determined by nonlinear terms. The wavelength mismatch can result in significant disorder behind the front that may or may not persist in the latter stage dynamics. We support these observations by presenting results from dynamical density functional theory calculations for simple one- and two-component two-dimensional systems of soft core particles.Comment: 25 pages, 11 figure

Continuation for thin film hydrodynamics and related scalar problems

This chapter illustrates how to apply continuation techniques in the analysis of a particular class of nonlinear kinetic equations that describe the time evolution through transport equations for a single scalar field like a densities or interface profiles of various types. We first systematically introduce these equations as gradient dynamics combining mass-conserving and nonmass-conserving fluxes followed by a discussion of nonvariational amendmends and a brief introduction to their analysis by numerical continuation. The approach is first applied to a number of common examples of variational equations, namely, Allen-Cahn- and Cahn-Hilliard-type equations including certain thin-film equations for partially wetting liquids on homogeneous and heterogeneous substrates as well as Swift-Hohenberg and Phase-Field-Crystal equations. Second we consider nonvariational examples as the Kuramoto-Sivashinsky equation, convective Allen-Cahn and Cahn-Hilliard equations and thin-film equations describing stationary sliding drops and a transversal front instability in a dip-coating. Through the different examples we illustrate how to employ the numerical tools provided by the packages auto07p and pde2path to determine steady, stationary and time-periodic solutions in one and two dimensions and the resulting bifurcation diagrams. The incorporation of boundary conditions and integral side conditions is also discussed as well as problem-specific implementation issues