Smeared phase transition in a three-dimensional Ising model with planar defects: Monte-Carlo simulations

We present results of large-scale Monte Carlo simulations for a three-dimensional Ising model with short range interactions and planar defects, i.e., disorder perfectly correlated in two dimensions. We show that the phase transition in this system is smeared, i.e., there is no single critical temperature, but different parts of the system order at different temperatures. This is caused by effects similar to but stronger than Griffiths phenomena. In an infinite-size sample there is an exponentially small but finite probability to find an arbitrary large region devoid of impurities. Such a rare region can develop true long-range order while the bulk system is still in the disordered phase. We compute the thermodynamic magnetization and its finite-size effects, the local magnetization, and the probability distribution of the ordering temperatures for different samples. Our Monte-Carlo results are in good agreement with a recent theory based on extremal statistics.Comment: 9 pages, 6 eps figures, final version as publishe

Percolation in random environment

We consider bond percolation on the square lattice with perfectly correlated random probabilities. According to scaling considerations, mapping to a random walk problem and the results of Monte Carlo simulations the critical behavior of the system with varying degree of disorder is governed by new, random fixed points with anisotropic scaling properties. For weaker disorder both the magnetization and the anisotropy exponents are non-universal, whereas for strong enough disorder the system scales into an {\it infinite randomness fixed point} in which the critical exponents are exactly known.Comment: 8 pages, 7 figure

Substituent effects on the in vitro and in vivo genotoxicity of 4-aminobiphenyl and 4-aminostilbene derivatives

4-Amino-4'-substituted biphenyls and 4-aminostilbenes substituted in the 3' or 4' position were studied for their in vitro and in vivo genotoxicity. The in vitro mutagenicity of the biphenyls with and without S9 activation was established with Salmonella strains TA98 and TA100 and that of the stilbenes with the same strains plus TA98/1,8-DNP6. The in vivo genotoxicity assay with both series of compounds was for chromosomal aberrations in the bone-marrow cells of mice following intraperitoneal administration of the chemicals. Hammett values of substituents, partition coefficients and frontier orbital energies (ELUMO and EHOMO) of the compounds were used for correlations with mutagenicity. The Salmonella mutagenicity in TA98 and TA98/1,8-DNP6 with S9 was correlated to Hammett [sigma]+ values for the 4-aminostilbene substituents, showing a strong trend of increasing mutagenicity with an increase in the electron-withdrawing capability of the substituent. Hydrophobicity of the stilbenes, however, had little effect on their relative mutagenicity. The 4-aminobiphenyls showed a correlation between their mutagenicity and Hammett [sigma]+ values of their 4'-substituents in stain TA98 with S9, although the trend was not as strong as for the stilbenes. But unlike the stilbenes, TA98 mutagenicity of the biphenyls could also be correlated to hydrophobicity, and structure-activity correlations for the biphenyls was substantially improved when both [sigma]+ and hydrophobicity data were included. For strain TA100 with S9, little correlation was found between mutagenicity of the stilbenes and any of, the parameters. However, a limited correlation did exist between the mutagenicity of the biphenyls and their hydrophobicity. There was also limited correlations of the mutagenicity for the stilbenes in TA98 and TA98/1,8-DNP6 with S9 to ELUMO or EHOMO. The in vivo genotoxicity results for the biphenyls and stilbenes could not be correlated to electronic effects as for the in vitro results, nor could they be explained by hydrophobicity. However, it is interesting to note that 3'-substituted 4-aminostilbenes were all substantially more genotoxic in vivo than their corresponding 4'-substituted counterparts. The most genotoxic compound in vivo in either series was 4-aminostilbene which would not have been predicted from the in vitro results.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/31865/1/0000815.pd