Power laws in pressure-induced structural change of glasses

Abstract

AbstractMany glasses exhibit fractional power law (FPL) between the mean atomic volume va and the first diffraction peak position q1, i.e. $$v_{\mathrm{a}} \propto q_1^{ - d}$$va∝q1−d with d ≃ 2.5 deviating from the space dimension D = 3, under compression or composition change. What structural change causes such FPL and whether the FPL and d are universal remain controversial. Here our simulations show that the FPL holds in both two- and three-dimensional glasses under compression when the particle interaction has two length scales which can induce nonuniform local deformations. The exponent d is not universal, but varies linearly with the deformable part of soft particles. In particular, we reveal an unexpected crossover regime with d > D from crystal behavior (d = D) to glass behavior (d < D). The results are explained by two types of bond deformation. We further discover FPLs in real space from the radial distribution functions, which correspond to the FPLs in reciprocal space.