Non-universal critical behaviour of heteronuclear dimers on a square lattice––A Monte Carlo study

Monte Carlo simulation within the grand canonical ensemble, the histogram reweighting technique, and finite size scaling analysis are used to explore the phase behaviour of heteronuclear dimers, composed of A and B type atoms, on a square lattice. We have found that for the models with attractive BB and AB nearest-neighbour energy, u_BB=u_AB=−1, and for non-repulsive energy between AA nearest-neighbour sites, u_AA<0, the system belongs to the universality class of the two-dimensional Ising model. However, when u_AA>0, the system exhibits a non-universal critical behaviour. We have evaluated the dependences of the critical point characteristics on the value of u_AA.     

Miscibility of bisphenol-A polycarbonate with poly(methyl methacrylate)

The miscibility of bisphenol-A polycarbonate (PC) with poly(methyl methacrylate) (PMMA) has been reexamined using differential scanning calorimetry (DSC) and optical indications for phase separation on heating, i.e., lower critical solution temperature (LCST) behavior. Various methods have been used to prepare the blends including methylene chloride (CH₂Cl₂) and tetrahydrofuran (THF) solution casting, melt mixing, and precipitation of PC and PMMA simultaneously from THF solution by using the nonsolvents methanol and heptane. It is shown that the resulting phase behavior for PC/PMMA blends is strongly affected by the blend preparation method. However, these blends are miscible over the whole blend composition range (unambiguous single composition-dependent T_g's and LCST behavior) when prepared by precipitation from solution using heptane as the nonsolvent. To the contrary, solution-cast and melt-mixed PC/PMMA blends were all phase separated, which may be attributed to the “solvent” effect and LCST behavior, respectively, not discovered in previous reports. Methanol precipitation does not lead to fully mixed blends, which demonstrates the importance of the choice of nonsolvent when using the precipitation method.     

A Modified Quasi-Newton Method for Structured Optimization with Partial Information on the Hessian

This paper develops a modified quasi-Newton method for structured unconstrained optimization with partial information on the Hessian, based on a better approximation to the Hessian in current search direction. The new approximation is decided by both function values and gradients at the last two iterations unlike the original one which only uses the gradients at the last two iterations. The modified method owns local and superlinear convergence. Numerical experiments show that the proposed method is encouraging comparing with the methods proposed in [4] for structured unconstrained optimization Presented at the 6th International Conference on Optimization: Techniques and Applications, Ballarat, Australia, December 9–11, 2004     

Time delay as a key to apoptosis induction in the p53 network

A feedback mechanism that involves the proteins p53 and mdm2, induces cell death as a controlled response to severe DNA damage. A minimal model for this mechanism demonstrates that the response may be dynamic and connected with the time needed to translate the mdm2 protein. The response takes place if the dissociation constant k between p53 and mdm2 varies from its normal value. Although it is widely believed that it is an increase in k that triggers the response, we show that the experimental behaviour is better described by a decrease in the dissociation constant. The response is quite robust upon changes in the parameters of the system, as required by any control mechanism, except for few weak points, which could be connected with the onset of cancer. Received 8 May 2002 / Received in final form 9 July 2002 Published online 17 September 2002     

ω-meson photoproduction on nucleons in the near-threshold region

The European Physical Journal A - The ω-meson photoproduction, γ + p→p + ω, is studied in the framework of a model, containing π-meson exchange in t-channel and...     

Segregation in the Falicov--Kimball Model

The Falicov–Kimball model is a simple quantum lattice model that describes light and heavy electrons interacting with an on-site repulsion; alternatively, it is a model of itinerant electrons and fixed nuclei. It can be seen as a simplification of the Hubbard model; by neglecting the kinetic (hopping) energy of the spin up particles, one gets the Falicov–Kimball model. We show that away from half-filling, i.e. if the sum of the densities of both kinds of particles differs from 1, the particles segregate at zero temperature and for large enough repulsion. In the language of the Hubbard model, this means creating two regions with a positive and a negative magnetization. Our key mathematical results are lower and upper bounds for the sum of the lowest eigenvalues of the discrete Laplace operator in an arbitrary domain, with Dirichlet boundary conditions. The lower bound consists of a bulk term, independent of the shape of the domain, and of a term proportional to the boundary. Therefore, one lowers the kinetic energy of the itinerant particles by choosing a domain with a small boundary. For the Falicov- Kimball model, this corresponds to having a single “compact” domain that has no heavy particles. Received: 21 June 2001 / Accepted: 4 January 2002     

Pseudomeasure character of the ultraspherical semigroups

We prove that the diffusion semigroups generated by the second order differential ultraspherical (Gegenbauer) operator are pseudomeasure operators.     

Likelihood Ratio Processes for Markovian Particle Systems with Killing and Jumps

We consider Markov processes built from pasting together pieces of strong Markov processes which are killed at a position dependent rate and connected via a transition kernel. We give necessary and sufficient conditions for local absolute continuity of probability laws for such processes on a suitable path space and derive an explicit formula for the corresponding likelihood ratio process. The main tool is the consideration of the process between successive jumps – what we call ‘elementary experiments’ – and criteria for absolute continuity of laws of the process there. We apply our results to systems of branching diffusions with interactions and immigrations. This revised version was published online in June 2006 with corrections to the Cover Date.     

Conformational analysis of dipeptide‐derived polyisocyanides

The conformational properties of polymers derived from isocyanodipeptides have been investigated with a combination of model calculations, X‐ray diffraction, and circular dichroism spectroscopy. Depending on the configuration of the side chains, defined arrays of hydrogen bonds along the polymeric backbone are formed. This leads to a well‐defined conformation as, for example, expressed in the formation of lyotropic liquid‐crystalline phases and increased helical stability. Upon the disruption of the hydrogen bonds by a strong acid, a less well‐defined macromolecular conformation is observed. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 1725–1736, 2003     

De-mixing dynamics of a binary liquid system in a controlled-pore glass

The European Physical Journal E - The temperature-induced microphase separation of the binary liquid system iso-butyric acid+heavy water (iBA + D2O) in a mesoporous silica glass (CPG-10-75) of...