Isotopic fractionation of carbon, deuterium and nitrogen : a full chemical study

Context. The increased sensitivity and high spectral resolution of millimeter telescopes allow the detection of an increasing number of isotopically substituted molecules in the interstellar medium. The 14N/ 15N ratio is difficult to measure directly for carbon containing molecules. Aims. We want to check the underlying hypothesis that the 13C/ 12C ratio of nitriles and isonitriles is equal to the elemental value via a chemical time dependent gas phase chemical model. Methods. We have built a chemical network containing D, 13C and 15N molecular species after a careful check of the possible fractionation reactions at work in the gas phase. Results. Model results obtained for 2 different physical conditions corresponding respectively to a moderately dense cloud in an early evolutionary stage and a dense depleted pre-stellar core tend to show that ammonia and its singly deuterated form are somewhat enriched in 15N, in agreement with observations. The 14N/ 15N ratio in N2H+ is found to be close to the elemental value, in contrast to previous models which obtain a significant enrichment, as we found that the fractionation reaction between 15N and N2H+ has a barrier in the entrance channel. The large values of the N2H+/15NNH+ and N2H+/ N15NH+ ratios derived in L1544 cannot be reproduced in our model. Finally we find that nitriles and isonitriles are in fact significantly depleted in 13C, questioning previous interpretations of observed C15N, HC15N and H15NC abundances from 13C containing isotopologues.Comment: 21 pages, 9 figures in the text, 3 Figures in the appendices. 7 tables in the text, 4 tables in the appendices. Accepted for publication by Astronomy Astrophysic

The interstellar gas-phase chemistry of HCN and HNC

We review the reactions involving HCN and HNC in dark molecular clouds to elucidate new chemical sources and sinks of these isomers. We find that the most important reactions for the HCN-HNC system are Dissociative Recombination (DR) reactions of HCNH+ (HCNH+ + e-), the ionic CN + H3+, HCN + C+, HCN and HNC reactions with H+/He+/H3+/H3O+/HCO+, the N + CH2 reaction and two new reactions: H + CCN and C + HNC. We test the effect of the new rate constants and branching ratios on the predictions of gas-grain chemical models for dark cloud conditions. The rapid C + HNC reaction keeps the HCN/HNC ratio significantly above one as long as the carbon atom abundance remains high. However, the reaction of HCN with H3+ followed by DR of HCNH+ acts to isomerize HCN into HNC when carbon atoms and CO are depleted leading to a HCN/HNC ratio close to or slightly greater than 1. This agrees well with observations in TMC-1 and L134N taking into consideration the overestimation of HNC abundances through the use of the same rotational excitation rate constants for HNC as for HCN in many radiative transfer models.Comment: Accepted for publication in MNRA

Frustrated magnets in three dimensions: a nonperturbative approach

Frustrated magnets exhibit unusual critical behaviors: they display scaling laws accompanied by nonuniversal critical exponents. This suggests that these systems generically undergo very weak first order phase transitions. Moreover, the different perturbative approaches used to investigate them are in conflict and fail to correctly reproduce their behavior. Using a nonperturbative approach we explain the mismatch between the different perturbative approaches and account for the nonuniversal scaling observed.Comment: 7 pages, 1 figure. IOP style files included. To appear in Journal of Physics: Condensed Matter. Proceedings of the conference HFM 2003, Grenoble, Franc

The gas-phase chemistry of carbon chains in dark cloud chemical models

We review the reactions between carbon chain molecules and radicals, namely Cn, CnH, CnH2, C2n+1O, CnN, HC2n+1N, with C, N and O atoms. Rate constants and branching ratios for these processes have been re-evaluated using experimental and theoretical literature data. In total 8 new species have been introduced, 41 new reactions have been proposed and 122 rate coefficients from kida.uva.2011 (Wakelam et al. 2012) have been modified. We test the effect of the new rate constants and branching ratios on the predictions of gas-grain chemical models for dark cloud conditions using two different C/O elemental ratios. We show that the new rate constants produce large differences in the predicted abundances of carbon chains since the formation of long chains is less effective. The general agreement between the model predictions and observed abundances in the dark cloud TMC-1 (CP) is improved by the new network and we find that C/O ratios of 0.7 and 0.95 both produce a similar agreement for different times. The general agreement for L134N (N) is not significantly changed. The current work specifically highlights the importance of O + CnH and N + CnH reactions. As there are very few experimental or theoretical data for the rate constants of these reactions we highlight the need for experimental studies of the O + CnH and N + CnH reactions, particularly at low temperature.Comment: Accepted for publication in MNRA

Critical behavior of frustrated systems: Monte Carlo simulations versus Renormalization Group

We study the critical behavior of frustrated systems by means of Pade-Borel resummed three-loop renormalization-group expansions and numerical Monte Carlo simulations. Amazingly, for six-component spins where the transition is second order, both approaches disagree. This unusual situation is analyzed both from the point of view of the convergence of the resummed series and from the possible relevance of non perturbative effects.Comment: RevTex, 10 pages, 3 Postscript figure

Pores in Bilayer Membranes of Amphiphilic Molecules: Coarse-Grained Molecular Dynamics Simulations Compared with Simple Mesoscopic Models

We investigate pores in fluid membranes by molecular dynamics simulations of an amphiphile-solvent mixture, using a molecular coarse-grained model. The amphiphilic membranes self-assemble into a lamellar stack of amphiphilic bilayers separated by solvent layers. We focus on the particular case of tension less membranes, in which pores spontaneously appear because of thermal fluctuations. Their spatial distribution is similar to that of a random set of repulsive hard discs. The size and shape distribution of individual pores can be described satisfactorily by a simple mesoscopic model, which accounts only for a pore independent core energy and a line tension penalty at the pore edges. In particular, the pores are not circular: their shapes are fractal and have the same characteristics as those of two dimensional ring polymers. Finally, we study the size-fluctuation dynamics of the pores, and compare the time evolution of their contour length to a random walk in a linear potential

The critical behavior of frustrated spin models with noncollinear order

We study the critical behavior of frustrated spin models with noncollinear order, including stacked triangular antiferromagnets and helimagnets. For this purpose we compute the field-theoretic expansions at fixed dimension to six loops and determine their large-order behavior. For the physically relevant cases of two and three components, we show the existence of a new stable fixed point that corresponds to the conjectured chiral universality class. This contradicts previous three-loop field-theoretical results but is in agreement with experiments.Comment: 4 pages, RevTe