Search results for "THERMODYNAMICS"

Boundary controlled irreversible port-Hamiltonian systems

2021

Abstract Boundary controlled irreversible port-Hamiltonian systems (BC-IPHS) defined on a 1-dimensional spatial domain are defined by extending the formulation of reversible BC-PHS to irreversible thermodynamic systems controlled at the boundaries of their spatial domain. The structure of BC-IPHS has clear physical interpretation, characterizing the coupling between energy storing and energy dissipating elements. By extending the definition of boundary port variables of BC-PHS to deal with the irreversible energy dissipation, a set of boundary port variables are defined such that BC-IPHS are passive with respect to a given set of conjugated inputs and outputs. As for finite dimensional IPHS…

Incomplete Riemann Solvers Based on Functional Approximations to the Absolute Value Function

2021

We give an overview on the work developed in recent years about certain classes of incomplete Riemann solvers for hyperbolic systems. These solvers are based on polynomial or rational approximations to |x|, and they do not require the knowledge of the complete eigenstructure of the system, but only a bound on the maximum wave speed. Our solvers can be readily applied to nonconservative hyperbolic systems, by following the theory of path-conservative schemes. In particular, this allows for an automatic treatment of source or coupling terms in systems of balance laws. The properties of our schemes have been tested with some challenging numerical experiments involving systems such as the Euler…

Molecular-dynamics simulation of a glassy polymer melt: Incoherent scattering function

1999

We report results of molecular-dynamics simulations for a glassy polymer melt consisting of short, linear bead-spring chains. It was shown in previous work that this onset of the glassy slowing down is compatible with the predictions of the mode coupling theory. The physical process of `caging' of a monomer by its spatial neighbors leads to a distinct two step behavior in the particle mean square displacements. In this work we analyze the effects of this caging process on the Rouse description of the melt's dynamics. We show that the Rouse theory is applicable for length and time scales above the typical scales for the caging process. Futhermore, the monomer displacement is compared with si…

Dynamics of a supercooled polymer melt above the mode-coupling critical temperature: cage versus polymer-specific effects

2000

This paper reports results of molecular dynamics simulations for a glassy polymer melt consisting of short, non-entangled chains. The temperature region studied covers the supercooled state of the melt above the mode-coupling critical temperature. The analysis focuses on the interplay of simple-liquid and polymer-specific effects. One can clearly distinguish two regimes: a regime of small and one of large monomer displacements. The first regime corresponds to motion of a monomer in its local environment. It is dominated by the cage effect and well described by the idealized mode-coupling theory. The second regime is governed by the late-β/early-α process. In this regime the connectivity of …

A Mössbauer cryostat equipped with a Gifford McMahon cryocooler

1989

A new cryostat for Mossbauer spectroscopic measurements has been developed around a cryogenerator of the Gifford McMahon type operating with helium gas in a closed circuit. Both source and absorber can be cooled to about 30K and the unwanted vibrations caused by the helium compression/expansion cycle have been limited to approximately 0.05–0.06 mms−1.

Enhanced crystal stability in a binary mixture of charged colloidal spheres.

2009

We report on the phase behavior of a binary charged sphere mixture of size ratio $\ensuremath{\Gamma}=0.68$ and charge ratio $\ensuremath{\Lambda}\ensuremath{\approx}1$ as a function of composition $p$ and number density $n$. For $p=0.1--0.3$ we observe freezing at densities well below the freezing densities of the pure components. At all compositions our data indicate the formation of substitutional alloy crystals of body centered cubic structure. No indications for compound formation were observed. Rather, our findings point at the first observation of an upper azeotrope. Measurements of the crystallization kinetics reveal a combined density and composition dependence of growth velocities…

Ab initio structural and electronic band-structure study of MgSe

2015

We present a careful and detailed ab initio study of the crystal structure and electronic band structure of different crystalline phases of MgSe. Calculations were performed using the full-potential linear augmented plane wave method. To determine the crystal phase of the ground state of MgSe, we computed the total energy as a function of volume for the rock-salt, zinc-blende, wurtzite, and NiAs phases. From the optimized volume, and by using the Birch–Murnaghan equation of state the lattice parameters , the bulk moduli, and its first pressure derivative () for the different phases of MgSe were found. In our calculations, we have used the local density approach for the exchange–correlation …

The liquid-solid transition of hard discs: first-order transition or Kosterlitz-Thouless-Halperin-Nelson-Young scenario?

2002

We consider the question of whether a two-dimensional hard-disc fluid has a first-order transition from the liquid state to the solid state as in the three-dimensional melting-crystallization transition or whether one has two subsequent continuous transitions, from the liquid to the hexatic phase and then to the solid phase, as proposed by Kosterlitz, Thouless, Halperin, Nelson and Young (KTHNY). Monte Carlo (MC) simulations of the fluid that study the growth of the bond orientational correlation length, and of the crystal are discussed. The emphasis is on a recent consistency test of the KTHNY renormalization group (RG) scenario, where MC simulations are used to estimate the bare elastic c…

Thermal stability and crystallization kinetics of Al4Mn quasicrystals as studied by exoelectron emission and DTA methods

1995

Morphotropic ceramic solid solutions of the Pb(B3+½Nb½)O3- PbTiO3binary system

2000

Abstract The structure, dielectric, ferroelectric and electromechanical properties of lead lutecium niobate-titanate (PLuNT) and lead erbium niobate-titanate (PErNT) binary systems are reported. The data of phase diagram, crystallographic symmetry and morphotropic phase boundaries (MPB) are provided. High values of the electromechanical coupling coefficients kp = 0.66, kt = 0.48, k31 = 0.36 of (1−x)PLuN − xPT ceramics are attained in compositions near the MPB at x≈0.41.