Tuesday, January 1, 2013

1212.6377 (Saswati Ganguly et al.)

Non-affine displacements in crystalline solids in the harmonic limit    [PDF]

Saswati Ganguly, Surajit Sengupta, Peter Sollich, Madan Rao
A systematic coarse graining of microscopic atomic displacements generates a local elastic deformation tensor ${\mathsf D}$ as well as a positive definite scalar $\chi$ measuring non-affinity, i.e. the extent to which the displacements are not representable as affine deformations of a reference crystal. We perform an exact calculation of the statistics of $\chi$ and ${\mathsf D}$ and their spatial correlations for solids at low temperatures, within a harmonic approximation and in one and two dimensions. We obtain the joint distribution $P(\chi, {\mathsf D})$ and the two point spatial correlation functions for $\chi$ and ${\mathsf D}$. We show that non-affine and affine deformations are coupled even in a harmonic solid, with a strength that depends on the size of the coarse graining volume $\Omega$ and dimensionality. As a corollary to our work, we identify the field, $h_{\chi}$, conjugate to $\chi$ and show that this field may be tuned to produce a transition to a state where the ensemble average, $<\chi>$, and the correlation length of $\chi$ diverge. Our work should be useful as a template for understanding non-affine displacements in realistic systems with or without disorder and as a means for developing computational tools for studying the effects of non-affine displacements in melting, plastic flow and the glass transition.
View original: http://arxiv.org/abs/1212.6377

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