Zobrazeno 1 - 10
of 597
pro vyhledávání: '"Dieterich W"'
A soft particle model for diblock (AB) copolymer melts is proposed. Each molecule is mapped onto two soft spheres built by Gaussian A- and B-monomer distributions. An approximate analytical expression for the joint distribution function for the dista
Externí odkaz:
http://arxiv.org/abs/0706.1208
Stochastic growth of binary alloys on a weakly interacting substrate is studied by kinetic Monte Carlo simulation. The underlying lattice model relates to fcc alloys, and the kinetics are based on deposition, atomic migration with bond-breaking proce
Externí odkaz:
http://arxiv.org/abs/cond-mat/0607284
We present an extension of the density-functional theory (DFT) formalism for lattice gases to systems with internal degrees of freedom. In order to test approximations commonly used in DFT approaches, we investigate the statics and dynamics of occupa
Externí odkaz:
http://arxiv.org/abs/cond-mat/0304161
Using an atom-vacancy exchange algorithm, we investigate the kinetics of the order-disorder transition in an fcc A_3B binary alloy model following a temperature quench from the disordered phase. We observe two clearly distinct ordering scenarios depe
Externí odkaz:
http://arxiv.org/abs/cond-mat/0207611
Publikováno v:
Phys. Rev. E, 65, 066112 (2002)
Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the represent
Externí odkaz:
http://arxiv.org/abs/cond-mat/0201456
Tracer-diffusion of small molecules through dense systems of chain polymers is studied within an athermal lattice model, where hard core interactions are taken into account by means of the site exclusion principle. An approximate mapping of this prob
Externí odkaz:
http://arxiv.org/abs/cond-mat/0110113
Publikováno v:
NATO Science Series III. Computer and Systems Sciences, 177, 288-292 (2001)
Diffusion of ions through a fluctuating polymeric host is studied both by Monte Carlo simulation of the complete system dynamics and by dynamic bond percolation (DBP) theory. Comparison of both methods suggests a multiscale-like approach for calculat
Externí odkaz:
http://arxiv.org/abs/cond-mat/0106197
Kramers relaxation times $\tau_{K}$ and relaxation times $\tau_{R}$ and $\tau_{G}$ for the end-to-end distances and for center of mass diffusion are calculated for dense systems of athermal lattice chains. $\tau_{K}$ is defined from the response of t
Externí odkaz:
http://arxiv.org/abs/cond-mat/0106192
Publikováno v:
Solid State Ionics: Science & Technology Proc. 6-th Asian Conf. on Solid State Ionics, edited by B. V. R. Chowdari and S. Chandra (World Scientific Publ. Co., Singapore, 1998) p. 33
Ion-conducting glasses and polymer systems show several characteristic peculiarities in their composition-dependent diffusion properties and in their dynamic response. First we give a brief review of the current understanding of the ion dynamics in n
Externí odkaz:
http://arxiv.org/abs/cond-mat/0106196
Recent measurements on ion conducting glasses have revealed that conductivity spectra for various temperatures and ionic concentrations can be superimposed onto a common master curve by an appropriate rescaling of the conductivity and frequency. In o
Externí odkaz:
http://arxiv.org/abs/cond-mat/9911125