The first relatively complete exoccipital-opisthotic from the braincase of the Callovian pliosaur, Liopleurodon

A newly recognized left exoccipital-opisthotic of a Callovian pliosaur, derived from the Peterborough or lower Stewarby Members of the Oxford Clay Formation of Peterborough, is described and figured. This isolated bone is tentatively identified as belonging to an ‘adult’ individual of Liopleurodon ferox that is inferred to have had a skull length of 1.26 metres and an overall body length of 6.39 metres

Microstructures of negative and positive azeotropes

Azeotropes famously impose fundamental restrictions on distillation processes, yet their special thermodynamic properties make them highly desirable for a diverse range of industrial and technological applications. Using neutron diffraction, we investigate the structures of two prototypical azeotropes, the negative acetone–chloroform and the positive benzene–methanol azeotrope. C–H⋯O hydrogen bonding is the dominating interaction in the negative azeotrope but C–Cl⋯O halogen bonding contributes as well. Hydrogen-bonded chains of methanol molecules, which are on average longer than in pure methanol, are the defining structural feature of the positive azeotrope illustrating the fundamentally different local mixing in the two kinds of azeotropes. The emerging trend for both azeotropes is that the more volatile components experience the more pronounced structural changes in their local environments as the azeotropes form. The mixing of the acetone–chloroform azeotrope is essentially random above 20 Å, where the running Kirkwood–Buff integrals of our structural model converge closely to the ones expected from thermodynamic data. The benzene–methanol azeotrope on the other hand displays extended methanol-rich regions and consequently the running Kirkwood–Buff integrals oscillate up to at least 60 Å. Our study provides the first experimental insights into the microstructures of azeotropes and a direct link with their thermodynamic properties. Ultimately, this will provide a route for creating tailored molecular environments in azeotropes to improve and fine-tune their performances

Jamming coverage in competitive random sequential adsorption of binary mixture

We propose a generalized car parking problem where cars of two different sizes are sequentially parked on a line with a given probability $q$. The free parameter $q$ interpolates between the classical car parking problem of only one car size and the competitive random sequential adsorption (CRSA) of a binary mixture. We give an exact solution to the CRSA rate equations and find that the final coverage, the jamming limit, of the line is always larger for a binary mixture than for the uni-sized case. The analytical results are in good agreement with our direct numerical simulations of the problem.Comment: 4 pages 2-column RevTeX, Four figures, (there was an error in the previous version. We replaced it (including figures) with corrected and improved version that lead to new results and conclusions

Density functional theory of phase coexistence in weakly polydisperse fluids

The recently proposed universal relations between the moments of the polydispersity distributions of a phase-separated weakly polydisperse system are analyzed in detail using the numerical results obtained by solving a simple density functional theory of a polydisperse fluid. It is shown that universal properties are the exception rather than the rule.Comment: 10 pages, 2 figures, to appear in PR

Pattern matching and pattern discovery algorithms for protein topologies

We describe algorithms for pattern matching and pattern learning in TOPS diagrams (formal descriptions of protein topologies). These problems can be reduced to checking for subgraph isomorphism and finding maximal common subgraphs in a restricted class of ordered graphs. We have developed a subgraph isomorphism algorithm for ordered graphs, which performs well on the given set of data. The maximal common subgraph problem then is solved by repeated subgraph extension and checking for isomorphisms. Despite the apparent inefficiency such approach gives an algorithm with time complexity proportional to the number of graphs in the input set and is still practical on the given set of data. As a result we obtain fast methods which can be used for building a database of protein topological motifs, and for the comparison of a given protein of known secondary structure against a motif database

Percolation and jamming in random sequential adsorption of linear segments on square lattice

We present the results of study of random sequential adsorption of linear segments (needles) on sites of a square lattice. We show that the percolation threshold is a nonmonotonic function of the length of the adsorbed needle, showing a minimum for a certain length of the needles, while the jamming threshold decreases to a constant with a power law. The ratio of the two thresholds is also nonmonotonic and it remains constant only in a restricted range of the needles length. We determine the values of the correlation length exponent for percolation, jamming and their ratio

Homogeneous shear flow of a hard-sphere fluid: Analytic solutions

Recently, a solution for collision-free trajectories in an N particle thermostatted hard-sphere system undergoing homogeneous shear (the so-called "Sllod" equations of motion) led to a kinetic theory of dilute hard-sphere gases under shear. However, a solution for collisions, necessary for a complete theory at higher densities, has been missing. We present an analytic solution to this problem, which provides surprising insights into the mechanical aspects of thermostatting a system in an external field. The equivalence of constant temperature and constant energy ensembles in the thermodynamic limit in equilibrium, the conditions for the nature of heat exchange with the environment (entropy creation and reduction) in the system, and the condition for appearance of the artificial string phase follow from our solution

Atomic Bose Gas with Negative Scattering Length

We derive the equation of state of a dilute atomic Bose gas with an interatomic interaction that has a negative scattering length and argue that two continuous phase transitions, occuring in the gas due to quantum degeneracy effects, are preempted by a first-order gas-liquid or gas-solid transition depending on the details of the interaction potential. We also discuss the consequences of this result for future experiments with magnetically trapped spin-polarized atomic gasses such as lithium and cesium.Comment: 16 PAGES, REVTEX 3.0, ACCEPTED FOR PUBLICATION IN PHYS. REV.

Kinetics and Jamming Coverage in a Random Sequential Adsorption of Polymer Chains

Using a highly efficient Monte Carlo algorithm, we are able to study the growth of coverage in a random sequential adsorption (RSA) of self-avoiding walk (SAW) chains for up to 10^{12} time steps on a square lattice. For the first time, the true jamming coverage (theta_J) is found to decay with the chain length (N) with a power-law theta_J propto N^{-0.1}. The growth of the coverage to its jamming limit can be described by a power-law, theta(t) approx theta_J -c/t^y with an effective exponent y which depends on the chain length, i.e., y = 0.50 for N=4 to y = 0.07 for N=30 with y -> 0 in the asymptotic limit N -> infinity.Comment: RevTeX, 5 pages inclduing figure