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flatIGW — An inverse algorithm to compute the density of states of lattice self avoiding walks
Authors:M PonmuruganV Sridhar  SL Narasimhan  KPN Murthy
Institution:
  • a Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600 113, India
  • b Materials Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu, India
  • c Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400085, Maharashtra, India
  • d School of Physics, University of Hyderabad, Central University P.O., Gachibowli, Hyderabad 500 046, Andhra Pradesh, India
  • Abstract:We show that the Density of States (DoS) for lattice Self Avoiding Walks can be estimated by using an inverse algorithm, called flatIGW, whose step-growth rules are dynamically adjusted by requiring the energy histogram to be locally flat. Here, the (attractive) energy associated with a configuration is taken to be proportional to the number of non-bonded nearest neighbor pairs (contacts). The energy histogram is able to explicitly direct the growth of a walk because the step-growth rule of the Interacting Growth Walk (Narasimhan et al. (2003) 5]) samples the available nearest neighbor sites according to the number of contacts they would make. We have obtained the complex Fisher zeros corresponding to the DoS, estimated for square lattice walks of various lengths, and located the θ temperature by extrapolating the finite size values of the real zeros to their asymptotic value, ∼1.49 (reasonably close to the known value, ∼1.50 (Barkema et al. (1998) 14]).
    Keywords:Self avoiding walk  Interacting Growth Walk  Density of states  Zeros of partition function  Energy histogram  Theta point  Monte Carlo simulation
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