Phys. Rev. E 67, 011505 (2003) [5 pages]Improved simulation method for the calculation of the elastic constants of crystalline and amorphous systems using strain fluctuationsReceived 21 December 2001; revised 23 September 2002; published 22 January 2003 In this paper, a method is proposed for calculating the elastic constants of arbitrarily soft or stiff systems using strain fluctuations. For stiff materials, for example, strain fluctuations may be enhanced by appropriate choice of elastic constants for the bath. Example calculations of the isothermal elastic constants of the nearest-neighbor Lennard-Jones fcc crystal demonstrate improved convergence properties over standard techniques. Elastic constants for a model amorphous polymer system are also presented. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevE.67.011505
DOI:
10.1103/PhysRevE.67.011505
PACS:
62.20.Dc, 07.05.Tp, 02.70.Ns, 02.70.Tt
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