Position and Orientation Distributions for Locally Self-Avoiding Walks in the Presence of Obstacles.
This paper presents a new approach to study the statistics of lattice random walks in the presence of obstacles and local self-avoidance constraints (excluded volume). By excluding sequentially local interactions within a window that slides along the chain, we obtain an upper bound on the number of self-avoiding walks (SAWs) that terminate at each possible position and orientation. Furthermore we develop a technique to include the effects of obstacles. Thus our model is a more realistic approximation of a polymer chain than that of a simple lattice random walk, and it is more computationally tractable than enumeration of obstacle-avoiding SAWs. Our approach is based on the method of the lattice-motion-group convolution. We develop these techniques theoretically and present numerical results for 2-D and 3-D lattices (square, hexagonal, cubic and tetrahedral/diamond). We present numerical results that show how the connectivity constant mu changes with the length of each self-avoiding window and the total length of the chain. Quantities such as R and others such as the probability of ring closure are calculated and compared with results obtained in the literature for the simple random walk case.
Skliros
Aris
A
Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 21218, USA, Email: askliro1@jhu.edu.
Chirikjian
Gregory S
GS