Recent content by reguieg yssaad

  1. R

    Tersoff Brenner Potential

    In Tersoff Brenner formula: -Do I calculate the bij then bij or calculate bij only ? -In the figure , explaine to me wath are the neighbors atoms of atom 1 can we use for calculate bij ? - Wath is the range of bij ? - Can we use the Tersoff Brenner potential for silica?
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    Engineering Relationship between the solution convergence and boundary conditions

    I create an algorithm that can solve [K]{u}={F} for atomic structure, but the results are not converge Do the boundary conditions affect the convergence of the resolution of a system of nonlinear partial equations? And how to know if the solution is diverged because of the boundary conditions...
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    Force field suitable for studying silica crystal

    I need some advice and help please -Is There a two body force field suitable to study silica crystal or alpha quartz crystal? it's okay to gives Approximate results. - Is the BKS force field suitable for silica crystal? - If there are other simple terms of force field for studying the silica...