Topologically Driven Swelling of a Polymer Loop

Numerical studies of the average size of trivially knotted polymer loops with no excluded volume are undertaken. Topology is identified by Alexander and Vassiliev degree 2 invariants. Probability of a trivial knot, average gyration radius, and probability density distributions as functions of gyration radius are generated for loops of up to N=3000 segments. Gyration radii of trivially knotted loops are found to follow a power law similar to that of self avoiding walks consistent with earlier theoretical predictions.Comment: 6 pages, 4 figures, submitted to PNAS (USA) in Feb 200

On practical applicability of the Jarzynski relation in statistical mechanics: a pedagogical example

We suggest and discuss a simple model of an ideal gas under the piston to gain an insight into the workings of the Jarzynski identity connecting the average exponential of the work over the non-equilibrium trajectories with the equilibrium free energy. We show that the Jarzynski identity is valid for our system due to the very rapid molecules belonging to the tail of the Maxwell distribution. For the most interesting extreme, when the system volume is large, while the piston is moving with large speed (compared to thermal velocity) for a very short time, the necessary number of independent experimental runs to obtain a reasonable approximation for the free energy from averaging the non-equilibrium work grows exponentially with the system size.Comment: 15 pages, 7 figures, submitted to JP

Studies of the behaviour of fast reactor fuel elements using a computer model

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Adsorption of a random heteropolymer at a potential well revisited: location of transition point and design of sequences

The adsorption of an ideal heteropolymer loop at a potential point well is investigated within the frameworks of a standard random matrix theory. On the basis of semi-analytical/semi-numerical approach the histogram of transition points for the ensemble of quenched heteropolymer structures with bimodal symmetric distribution of types of chain's links is constructed. It is shown that the sequences having the transition points in the tail of the histogram display the correlations between nearest-neighbor monomers.Comment: 11 pages (revtex), 3 figure