Theory of amorphous ices

We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-deviation theory allows us to prepare such phases in computer simulations. Along with nonequilibrium transitions between the ergodic liquid and two distinct amorphous solids, we establish coexistence between these two amorphous solids. The phase diagram we predict includes a nonequilibrium triple point where two amorphous phases and the liquid coexist. While the amorphous solids are long-lived and slowly-aging glasses, their melting can lead quickly to the formation of crystalline ice. Further, melting of the higher density amorphous solid at low pressures takes place in steps, transitioning to the lower density glass before accessing a nonequilibrium liquid from which ice coarsens.Comment: revision following review comment

Athermal Nonlinear Elastic Constants of Amorphous Solids

We derive expressions for the lowest nonlinear elastic constants of amorphous solids in athermal conditions (up to third order), in terms of the interaction potential between the constituent particles. The effect of these constants cannot be disregarded when amorphous solids undergo instabilities like plastic flow or fracture in the athermal limit; in such situations the elastic response increases enormously, bringing the system much beyond the linear regime. We demonstrate that the existing theory of thermal nonlinear elastic constants converges to our expressions in the limit of zero temperature. We motivate the calculation by discussing two examples in which these nonlinear elastic constants play a crucial role in the context of elasto-plasticity of amorphous solids. The first example is the plasticity-induced memory that is typical to amorphous solids (giving rise to the Bauschinger effect). The second example is how to predict the next plastic event from knowledge of the nonlinear elastic constants. Using the results of this paper we derive a simple differential equation for the lowest eigenvalue of the Hessian matrix in the external strain near mechanical instabilities; this equation predicts how the eigenvalue vanishes at the mechanical instability and the value of the strain where the mechanical instability takes place.Comment: 17 pages, 2 figures

Hidden structure in amorphous solids

Recent theoretical studies of amorphous silicon [Y. Pan et al. Phys. Rev. Lett. 100 206403 (2008)] have revealed subtle but significant structural correlations in network topology: the tendency for short (long) bonds to be spatially correlated with other short (long) bonds). These structures were linked to the electronic band tails in the optical gap. In this paper, we further examine these issues for amorphous silicon, and demonstrate that analogous correlations exist in amorphous SiO2, and in the organic molecule, b-carotene. We conclude with a discussion of the origin of the effects and its possible generality

Leggett's bound for amorphous solids

We investigate the constraints on the superfluid fraction of an amorphous solid following from an upper bound derived by Leggett. In order to accomplish this, we use as input density profiles generated for amorphous solids in a variety of different manners including by investigating Gaussian fluctuations around classical results. These rough estimates suggest that, at least at the level of the upper bound, there is not much difference in terms of superfluidity between a glass and a crystal characterized by the same Lindemann ratio. Moreover, we perform Path Integral Monte Carlo simulations of distinguishable Helium 4 rapidly quenched from the liquid phase to very lower temperature, at the density of the freezing transition. We find that the system crystallizes very quickly, without any sign of intermediate glassiness. Overall our results suggest that the experimental observations of large superfluid fractions in Helium 4 after a rapid quench correspond to samples evolving far from equilibrium, instead of being in a stable glass phase. Other scenarios and comparisons to other results on the super-glass phase are also discussed.Comment: 11 pages, 5 figure

Do Athermal Amorphous Solids Exist?

We study the elastic theory of amorphous solids made of particles with finite range interactions in the thermodynamic limit. For the elastic theory to exist one requires all the elastic coefficients, linear and nonlinear, to attain a finite thermodynamic limit. We show that for such systems the existence of non-affine mechanical responses results in anomalous fluctuations of all the nonlinear coefficients of the elastic theory. While the shear modulus exists, the first nonlinear coefficient B_2 has anomalous fluctuations and the second nonlinear coefficient B_3 and all the higher order coefficients (which are non-zero by symmetry) diverge in the thermodynamic limit. These results put a question mark on the existence of elasticity (or solidity) of amorphous solids at finite strains, even at zero temperature. We discuss the physical meaning of these results and propose that in these systems elasticity can never be decoupled from plasticity: the nonlinear response must be very substantially plastic.Comment: 11 pages, 11 figure