Homogeneous SPC/E water nucleation in large molecular dynamics simulations

We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to $\sim 4\cdot 10^6$ molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to $\sim 10^{19}\,\textrm{cm}^{-3}\textrm{s}^{-1}$, helping close the gap between experimentally measured rates $\sim 10^{17}\,\textrm{cm}^{-3}\textrm{s}^{-1}$. We are also able to precisely measure size distributions, sticking efficiencies, cluster temperatures, and cluster internal densities. We introduce a new functional form to implement the Yasuoka-Matsumoto nucleation rate measurement technique (threshold method). Comparison to nucleation models shows that classical nucleation theory over-estimates nucleation rates by a few orders of magnitude. The semi-phenomenological nucleation model does better, under-predicting rates by at worst, a factor of 24. Unlike what has been observed in Lennard-Jones simulations, post-critical clusters have temperatures consistent with the run average temperature. Also, we observe that post-critical clusters have densities very slightly higher, $\sim 5\%$, than bulk liquid. We re-calibrate a Hale-type $J$ vs. $S$ scaling relation using both experimental and simulation data, finding remarkable consistency in over $30$ orders of magnitude in the nucleation rate range, and $180\,$K in the temperature range.Comment: Accepted for publication in the Journal of Chemical Physic

Escape of black holes from the brane

TeV-scale gravity theories allow the possibility of producing small black holes at energies that soon will be explored at the LHC or at the Auger observatory. One of the expected signatures is the detection of Hawking radiation, that might eventually terminate if the black hole, once perturbed, leaves the brane. Here, we study how the `black hole plus brane' system evolves once the black hole is given an initial velocity, that mimics, for instance, the recoil due to the emission of a graviton. The results of our dynamical analysis show that the brane bends around the black hole, suggesting that the black hole eventually escapes into the extra dimensions once two portions of the brane come in contact and reconnect. This gives a dynamical mechanism for the creation of baby branes.Comment: 4 pages, 6 figure

Magnetic-Field Induced Gap in One-Dimensional Antiferromagnet KCuGaF6_6

Magnetic susceptibility and specific heat measurements in magnetic fields were performed on an $S=1/2$ one-dimensional antiferromagnet KCuGaF$_6$. Exchange interaction was evaluated as $J/k_{\rm B}\simeq 100$ K. However, no magnetic ordering was observed down to 0.46 K. It was found that an applied magnetic field induces a staggered magnetic susceptibility obeying the Curie law and an excitation gap, both of which should be attributed to the antisymmetric interaction of the Dzyaloshinsky-Moriya type and/or the staggered $g$-tensor. With increasing magnetic field $H$, the gap increases almost in proportion to $H^{2/3}$.Comment: Submitted to Proceedings of Research in High Magnetic Fiel

Spatial gene drives and pushed genetic waves

Gene drives have the potential to rapidly replace a harmful wild-type allele with a gene drive allele engineered to have desired functionalities. However, an accidental or premature release of a gene drive construct to the natural environment could damage an ecosystem irreversibly. Thus, it is important to understand the spatiotemporal consequences of the super-Mendelian population genetics prior to potential applications. Here, we employ a reaction-diffusion model for sexually reproducing diploid organisms to study how a locally introduced gene drive allele spreads to replace the wild-type allele, even though it possesses a selective disadvantage $s>0$. Using methods developed by N. Barton and collaborators, we show that socially responsible gene drives require $0.5<s<0.697$, a rather narrow range. In this "pushed wave" regime, the spatial spreading of gene drives will be initiated only when the initial frequency distribution is above a threshold profile called "critical propagule", which acts as a safeguard against accidental release. We also study how the spatial spread of the pushed wave can be stopped by making gene drives uniquely vulnerable ("sensitizing drive") in a way that is harmless for a wild-type allele. Finally, we show that appropriately sensitized drives in two dimensions can be stopped even by imperfect barriers perforated by a series of gaps

Distance-regular graphs

This is a survey of distance-regular graphs. We present an introduction to distance-regular graphs for the reader who is unfamiliar with the subject, and then give an overview of some developments in the area of distance-regular graphs since the monograph 'BCN' [Brouwer, A.E., Cohen, A.M., Neumaier, A., Distance-Regular Graphs, Springer-Verlag, Berlin, 1989] was written.Comment: 156 page