Efficient numerical modelling of hydrogen diffusion with trapping
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- Thomas, P.G. & Stern, E.J. J Mater Sci (1981) 16: 3122. doi:10.1007/BF00540321
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In view of the growing interest both in numerical solutions of the McNabb and Foster model for hydrogen diffusion with trapping, and the computational scheme proposed by Caskey and Pillinger, a more efficient, simpler scheme is presented which more closely replaces this model. Further techniques are presented which reduce the cost of the computations yet increase the accuracy of the results. Using a formulation better adapted to analysis, and with readily comprehensible variables, bounds are given on the numerical mesh sizes which ensure the stability of the scheme. For cases where these bounds are overly restrictive, alternative numerical tests are suggested. Finally, driving equations are given on which an approximation to the McNabb and Foster model in which the concentration of traps varies with time may be validly based.