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Structural transformations in porous glasses under mechanical loading. II. Compression

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 Added by Nikolai Priezjev V.
 Publication date 2017
  fields Physics
and research's language is English




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The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature binary mixture below the glass transition into the phase coexistence region. With decreasing average glass density, the pore morphology in quiescent samples varies from a random distribution of compact voids to a porous network embedded in a continuous glass phase. We find that during compressive loading at constant volume, the porous structure is linearly transformed in the elastic regime and the elastic modulus follows a power-law increase as a function of the average glass density. Upon further compression, pores deform significantly and coalesce into large voids leading to formation of domains with nearly homogeneous glass phase, which provides an enhanced resistance to deformation at high strain.



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The evolution of porous structure and mechanical properties of binary glasses under tensile loading were examined using molecular dynamics simulations. We consider vitreous systems obtained in the process of phase separation after a rapid isochoric quench of a glass-forming liquid to a temperature below the glass transition. The porous structure in undeformed samples varies from a connected porous network to a random distribution of isolated pores upon increasing average glass density. We find that at small strain, the elastic modulus follows a power-law dependence on the average glass density and the pore size distribution remains nearly the same as in quiescent samples. Upon further loading, the pores become significantly deformed and coalesce into larger voids that leads to formation of system-spanning empty regions associated with breaking of the material.
The time evolution of the pore size distributions and mechanical properties of amorphous solids at constant pressure is studied using molecular dynamics simulations. The porous glasses were initially prepared at constant volume conditions via a rapid thermal quench from the liquid state to the glassy region and allowing for simultaneous phase separation and material solidification. We found that at constant pressure and low temperature, the porous network becomes more compact and the glassy systems relocate to progressively lower levels of the potential energy. Although the elastic modulus and the average glass density both increase with the waiting time, their dependence is described by the power-law function with the same exponent. Moreover, the results of numerical simulations demonstrated that under tensile loading at constant pressure, low-density porous samples become significantly deformed and break up into separate domains at high strain, while dense glasses form a nearly homogeneous solid material.
Architectural transformations play a key role in the evolution of complex systems, from design algorithms for metamaterials to flow and plasticity of disordered media. Here, we develop a general framework for the evolution of the linear mechanical response of network structures under discrete architectural transformations via sequential removal and addition of elastic elements. We focus on a class of spatially complex metamaterials, consisting of triangular building blocks. Rotations of these building blocks, corresponding to removing and adding elastic elements, introduce (topological) architectural defects. We show that the metamaterials states of self stress play a crucial role, and that the mutually exclusive self stress states between two different network architectures span the difference in their mechanical response. For our class of metamaterials, we identify a localized representation of these states of self stress, which allows us to capture the evolving response. We use our insights to understand the unusual stress-steering behaviour of topological defects.
We investigate the approach to catastrophic failure in a model porous granular material undergoing uniaxial compression. A discrete element computational model is used to simulate both the micro-structure of the material and the complex dynamics and feedbacks involved in local fracturing and the production of crackling noise. Under strain-controlled loading micro-cracks initially nucleate in an uncorrelated way all over the sample. As loading proceeds the damage localizes into a narrow damage band inclined at 30-45 degrees to the load direction. Inside the damage band the material is crushed into a poorly-sorted mixture of mainly fine powder hosting some larger fragments. The mass probability density distribution of particles in the damage zone is a power law of exponent 2.1, similar to a value of 1.87 inferred from observations of the length distribution of wear products (gouge) in natural and laboratory faults. Dynamic bursts of radiated energy, analogous to acoustic emissions observed in laboratory experiments on porous sedimentary rocks, are identified as correlated trails or cascades of local ruptures that emerge from the stress redistribution process. As the system approaches macroscopic failure consecutive bursts become progressively more correlated. Their size distribution is also a power law, with an equivalent Gutenberg-Richter b-value of 1.22 averaged over the whole test, ranging from 3 down to 0.5 at the time of failure, all similar to those observed in laboratory tests on granular sandstone samples. The formation of the damage band itself is marked by a decrease in the average distance between consecutive bursts and an emergent power law correlation integral of event locations with a correlation dimension of 2.55, also similar to those observed in the laboratory (between 2.75 and 2.25).
117 - Hannah Staley , Elijah Flenner , 2015
Recently, ultrastable glasses have been created through vapor deposition. Subsequently, computer simulation algorithms have been proposed that mimic the vapor deposition process and result in simulated glasses with increased stability. In addition, random pinning has been used to generate very stable glassy configurations without the need for lengthy annealing or special algorithms inspired by vapor deposition. Kinetic and mechanical stability of experimental ultrastable glasses is compared to those of experimental glasses formed by cooling. We provide the basis for a similar comparison for simulated stable glasses: we analyze the kinetic and mechanical stability of simulated glasses formed by cooling at a constant rate by examining the transformation time to a liquid upon rapid re-heating, the inherent structure energies, and the shear modulus. The kinetic and structural stability increases slowly with decreasing cooling rate. The methods outlined here can be used to assess kinetic and mechanical stability of simulated glasses generated by using specialized algorithms.
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