Monte Carlo simulations of copolymers at homopolymer interfaces: Interfacial structure as a function of the copolymer density

By means of extensive Monte Carlo simulations of the bond fluctuation model, we study the effect of adding AB diblock copolymers on the properties of an interface between demixed homopolymer phases. The parameters are chosen such that the homopolymers are strongly segregated, and the whole range of copolymer concentrations in the two phase coexistence region is scanned. We compare the ``mushroom'' regime, in which copolymers are diluted and do not interact with each other, with the ``wet brush'' regime, where copolymers overlap and stretch, but are still swollen by the homopolymers. A ``dry brush'' regime is never entered for our choice of chain lengths. ``Intrinsic'' profiles are calculated using a block analysis method introduced by us in earlier work. We discuss density profiles, orientational profiles and contact number profiles. In general, the features of the profiles are similar at all copolymer concentrations, however, the profiles in the concentrated regime are much broader than in the dilute regime. The results compare well with self-consistent field calculations.Comment: to appear in J. Chem. Phy

Long swings in Japan’s current account and in the yen

The yen has experienced several big swings over recent decades. This paper argues that the fluctuations of the Japanese exchange rate resulted mainly from corresponding movements in the current account, which affected the demand for yen relative to other currencies. The paper builds a vector error correction model for the exchange rate and the current account, based on the idea that the exchange rate and its economic fundamental do not move too far apart over time. In addition, the model allows for a Markov-switching stochastic trend in the current account. Regime changes occur at uncertain dates, possibly in response to exchange rate changes. Bayesian estimation proceeds using an innovative Gibbs-sampling procedure. The empirical results suggest that recurrent structural breaks in the yen’s fundamentals account for the large fluctuations of the Japanese exchange rat

Balance of payments flows and exchange rate prediction in Japan

Monetary models of exchange rates tend to focus on inflation differentials to explain exchange rate movements. This paper assesses the ability of currency flows to predict exchange rate changes. The focus is on Japan. Currency flows are assumed to depend on the level of the current account and on the international investment position, where the latter is used as a proxy for international debt repayments. A state space model is used to predict simultaneously the exchange rate and its determinants. Using rolling regressions and out-of-sample predictions, it is shown that a model featuring currency flows can predict the direction of exchange rate movements better than a random walk (with or without drift). However, as happens with standard macroeconomic models, the model is not able to outperform a random walk in terms of the mean square prediction error criterio

Symmetric Diblock Copolymers in Thin Films (I): Phase stability in Self-Consistent Field Calculations and Monte Carlo Simulations

We investigate the phase behavior of symmetric AB diblock copolymers confined into a thin film. The film boundaries are parallel, impenetrable and attract the A component of the diblock copolymer. Using a self-consistent field technique [M.W. Matsen, J.Chem.Phys. {\bf 106}, 7781 (1997)], we study the ordered phases as a function of incompatibility $\chi$ and film thickness in the framework of the Gaussian chain model. For large film thickness and small incompatibility, we find first order transitions between phases with different number of lamellae which are parallel oriented to the film boundaries. At high incompatibility or small film thickness, transitions between parallel oriented and perpendicular oriented lamellae occur. We compare the self-consistent field calculations to Monte Carlo simulations of the bond fluctuation model for chain length N=32. In the simulations we quench several systems from $\chi N=0$ to $\chi N=30$ and monitor the morphology into which the diblock copolymers assemble. Three film thicknesses are investigated, corresponding to parallel oriented lamellae with 2 and 4 interfaces and a perpendicular oriented morphology. Good agreement between self-consistent field calculations and Monte Carlo simulations is found.Comment: to appear in J.Chem.Phy

A grand-canonical approach to the disordered Bose gas

We study the problem of disordered interacting bosons within grand-canonical thermodynamics and Bogoliubov theory. We compute the fractions of condensed and non-condensed particles and corrections to the compressibility and the speed of sound due to interaction and disorder. There are two small parameters, the disorder strength compared to the chemical potential and the dilute-gas parameter.Comment: 9 pages, 3 figure

Derivation of effective spin models from a three band model for CuO_2-planes

The derivation of effective spin models describing the low energy magnetic properties of undoped CuO_2-planes is reinvestigated. Our study aims at a quantitative determination of the parameters of effective spin models from those of a multi-band model and is supposed to be relevant to the analysis of recent improved experimental data on the spin wave spectrum of La_2CuO_4. Starting from a conventional three-band model we determine the exchange couplings for the nearest and next-nearest neighbor Heisenberg exchange as well as for 4- and 6-spin exchange terms via a direct perturbation expansion up to 12th (14th for the 4-spin term) order with respect to the copper-oxygen hopping t_pd. Our results demonstrate that this perturbation expansion does not converge for hopping parameters of the relevant size. Well behaved extrapolations of the couplings are derived, however, in terms of Pade approximants. In order to check the significance of these results from the direct perturbation expansion we employ the Zhang-Rice reformulation of the three band model in terms of hybridizing oxygen Wannier orbitals centered at copper ion sites. In the Wannier notation the perturbation expansion is reorganized by an exact treatment of the strong site-diagonal hybridization. The perturbation expansion with respect to the weak intersite hybridizations is calculated up to 4th order for the Heisenberg coupling and up to 6th order for the 4-spin coupling. It shows excellent convergence and the results are in agreement with the Pade approximants of the direct expansion. The relevance of the 4-spin coupling as the leading correction to the nearest neighbor Heisenberg model is emphasized.Comment: 27 pages, 10 figures. Changed from particle to hole notation, right value for the charge transfer gap used; this results in some changes in the figures and a higher value of the ring exchang