Entropy-induced Microphase Separation in Hard Diblock Copolymers

Whereas entropy can induce phase behavior that is as rich as seen in energetic systems, microphase separation remains a very rare phenomenon in entropic systems. In this paper, we present a density functional approach to study the possibility of entropy-driven microphase separation in diblock copolymers. Our model system consists of copolymers composed of freely-jointed slender hard rods. The two types of monomeric segments have comparable lengths, but a significantly different diameter, the latter difference providing the driving force for the phase separation. At the same time these systems can also exhibit liquid crystalline phases. We treat this system in the appropriate generalization of the Onsager approximation to chain-like particles. Using a linear stability (bifurcation) analysis, we analytically determine the onset of the microseparated and the nematic phases for long chains. We find that for very long chains the microseparated phase always preempts the nematic. In the limit of infinitely long chains, the correlations within the chain become Gaussian and the approach becomes exact. This allows us to define a Gaussian limit in which the theory strongly simplifies and the competition between microphase separation and liquid crystal formation can be studied essentially analytically. Our main results are phase diagrams as a function of the effective diameter difference, the segment composition and the length ratio of the segments. We also determine the amplitude of the positional order as a function of position along the chain at the onset of the microphase separation instability. Finally, we give suggestions as to how this type of entropy-induced microphase separation could be observed experimentally.Comment: 16 pages, 7 figure

Minimal Supersymmetric Standard Model within CompHEP software package

The Minimal Supersymmetric Standard Model is presented as a model for the CompHEP software package as a set of files containing the complete Lagrangian of the MSSM, particle contents and parameters. All resources of CompHEP with a user-friendly interface are now available for the phenomenological study of the MSSM. Various special features of the model are discussed.Comment: 11 pages, LaTeX, submitted to Comp. Phys. Communicatio

Mixed Quantum/Classical Approach for Description of Molecular Collisions in Astrophysical Environments

An efficient and accurate mixed quantum/classical theory approach for computational treatment of inelastic scattering is extended to describe collision of an atom with a general asymmetric-top rotor polyatomic molecule. Quantum mechanics, employed to describe transitions between the internal states of the molecule, and classical mechanics, employed for description of scattering of the atom, are used in a self-consistent manner. Such calculations for rotational excitation of HCOOCH3 in collisions with He produce accurate results at scattering energies above 15 cm–1, although resonances near threshold, below 5 cm–1, cannot be reproduced. Importantly, the method remains computationally affordable at high scattering energies (here up to 1000 cm–1), which enables calculations for larger molecules and at higher collision energies than was possible previously with the standard full-quantum approach. Theoretical prediction of inelastic cross sections for a number of complex organic molecules observed in space becomes feasible using this new computational tool

Weak localization, Aharonov-Bohm oscillations and decoherence in arrays of quantum dots

Combining scattering matrix theory with non-linear $\sigma$-model and Keldysh technique we develop a unified theoretical approach enabling one to non-perturbatively study the effect of electron-electron interactions on weak localization and Aharonov-Bohm oscillations in arbitrary arrays of quantum dots. Our model embraces (i) weakly disordered conductors (ii) strongly disordered conductors and (iii) metallic quantum dots. In all these cases at $T \to 0$ the electron decoherence time is found to saturate to a finite value determined by the universal formula which agrees quantitatively with numerous experimental results. Our analysis provides overwhelming evidence in favor of electron-electron interactions as a universal mechanism for zero temperature electron decoherence in disordered conductors.Comment: 19 pages, 13 figures, invited paper, published in a special issue of Fiz. Nizk. Temp. (Kharkov) dedicated to Prof. Igor Kuli

On the methanol emission detection in the TW Hya disc: the role of grain surface chemistry and non-LTE excitation

The recent detection of gas-phase methanol (CH$_3$OH) lines in the disc of TW Hya by Walsh et al. provided the first observational constraints on the complex O-bearing organic content in protoplanetary discs. The emission has a ring-like morphology, with a peak at $\sim 30-50$ au and an inferred column density of $\sim 3-6\times10^{12}$ cm$^{-2}$. A low CH$_3$OH fractional abundance of $\sim 0.3-4\times 10^{-11}$ (with respect to H$_2$) is derived, depending on the assumed vertical location of the CH$_3$OH molecular layer. In this study, we use a thermo-chemical model of the TW Hya disc, coupled with the ALCHEMIC gas-grain chemical model, assuming laboratory-motivated, fast diffusivities of the surface molecules to interpret the CH$_3$OH detection. Based on this disc model, we performed radiative transfer calculations with the LIME code and simulations of the observations with the CASA simulator. We found that our model allows to reproduce the observations well. The CH$_3$OH emission in our model appears as a ring with radius of $\sim60$ au. Synthetic and observed line flux densities are equal within the rms noise level of observations. The synthetic CH$_3$OH spectra calculated assuming local thermodynamic equilibrium (LTE) can differ by up to a factor of 3.5 from the non-LTE spectra. For the strongest lines, the differences between LTE and non-LTE flux densities are very small and practically negligible. Variations in the diffusivity of the surface molecules can lead to variations of the CH$_3$OH abundance and, therefore, line flux densities by an order of magnitude.Comment: Accepted for publication in MNRAS, 8 pages, 8 figure