arXiv subjects

W. Beck Andrews

Publications and source records attributed to W. Beck Andrews.

4 recordsLinked to original sources

arXiv2022

Simulation of coarsening in two-phase systems with dissimilar mobilities

In this work, we apply phase field simulations to examine the coarsening behavior of morphologically complex two-phase microstructures in which the phases have highly dissimilar mobilities, a condition approaching that found in experimental solid-liquid systems. Specifically, we consider a two-phase system at the critical composition ($50\%$ volume fraction) in which the mobilities of the two phases differ by a factor of 100. This system is simulated in two and three dimensions using the Cahn-Hilliard model with a concentration-dependent mobility, and results are compared to simulations with a constant mobility. A morphological transition occurs during coarsening of the two-dimensional system (corresponding to a thin film geometry) with dissimilar mobilities, resulting in a system of nearly-circular particles of high-mobility phase embedded in a low-mobility matrix. This morphological transition causes the coarsening rate constant to decrease over time, which explains why a previous study found lack of agreement with the theoretical $t^{1/3}$ power law. Three-dimensional systems with dissimilar mobilities resulted in bicontinuous microstructures that evolve self-similarly, as determined by quantitative analysis of the interfacial shape distribution. Coarsening kinetics in three dimensions agreed closely with the $t^{1/3}$ power law after the initial transient stage. A model is derived to explain a nearly-linear relationship between the coarsening rate constant and the variance of scaled mean curvature that is observed during this transient stage.

cond-mat.mtrl-sci↗

arXiv2022

Crack-path selection in phase-field models for brittle fracture

This work presents a critical overview of the effects of different aspects of model formulation on crack path selection in quasi-static phase field fracture. We consider different evolution methods, mechanics formulations, fracture dissipation energy formulations, and forms of the irreversibility condition. The different model variants are implemented with common numerical methods based on staggered solution of the phase-field and mechanics sub-problems via FFT-based solvers. These methods mix standard approaches with novel elements, such as the use of bound-constrained conjugate gradients for the phase field sub-problem and a heuristic method for near-equilibrium evolution. We examine differences in crack paths between model variants in simple model systems and microstructures with randomly heterogeneous Young's modulus. Our results indicate that near-equilibrium evolution methods are preferable for quasi-static fracture of heterogeneous microstructures compared to minimization and time-dependent methods. In examining mechanics formulations, we find distinct effects of crack driving force and the model for contact implicit in phase field fracture. Our results favor the use of a strain-spectral decomposition for the crack driving force but not the contact model. Irreversibility condition and fracture dissipation energy formulation were also found to affect crack path selection, but systematic effects were difficult to deduce due to the overall sensitivity of crack selection within the heterogeneous microstructures. Our findings support the use of the AT1 model over the AT2 model and irreversibility of the phase field within a crack set rather than the entire domain. Sensitivity to these differences in formulation was reduced but not eliminated by reducing the crack width parameter $\ell$ relative to the size scale of the random microstructures.

cond-mat.mtrl-sci↗

arXiv2020

Effect of Transport Mechanism on the Coarsening of Bicontinuous Structures: A Comparison between Bulk and Surface Diffusion

Coarsening of bicontinuous microstructures is observed in a variety of systems, such as nanoporous metals and mixtures that have undergone spinodal decomposition. To better understand the morphological evolution of these structures during coarsening, we compare the morphologies resulting from two different coarsening mechanisms, surface and bulk diffusion. We perform phase-field simulations of coarsening via each mechanism in a two-phase mixture at nominal volume fractions of 50%-50% and 36%-64%, and the simulated structures are characterized in terms of topology (genus density), the interfacial shape distribution, structure factor, and autocorrelations of phase and mean curvature. We observe self-similar evolution of morphology and topology and agreement with the expected power laws for dynamic scaling, in which the characteristic length scale increases over time proportionally to $t^{1/4}$ for surface diffusion and $t^{1/3}$ for bulk diffusion. While we observe the expected difference in the coarsening kinetics, we find that differences in self-similar morphology due to coarsening mechanism are relatively small, although typically they are larger at 36% volume fraction than at 50% volume fraction. In particular, we find that bicontinuous structures coarsened via surface diffusion have lower scaled genus densities than structures coarsened via bulk diffusion. We also compare the self-similar morphologies to those in literature and to two model bicontinuous structures, namely, constant-mean-curvature surfaces based on the Schoen G minimal surface and random leveled-wave structures. The average scaled mean curvatures of these model structures agree reasonably with those of the coarsened structures at both 36% and 50%, but we find substantial disagreements in the scaled genus densities and the standard deviations of mean curvature.

cond-mat.soft↗

arXiv2020

Constitutive relations for plasticity of amorphous carbon

We deform representative volume elements of amorphous carbon obtained from melt-quenches in molecular dynamics calculations using bond-order and machine learning interatomic potentials. A Drucker-Prager law with a zero-pressure flow stress of $41.2$~GPa and an internal friction coefficient of $0.39$ describes the deviatoric stress during flow as a function of pressure. We identify the mean coordination number as the order parameter describing this flow surface. However, a description of the dynamical relaxation of the quenched samples towards steady-state flow requires an additional order parameter. We suggest an intrinsic strain of the samples as a possible order parameter and present equations for its evolution. Our results provide insights into rehybridization and pressure dependence of friction between coated surfaces as well as routes towards the description of amorphous carbon in macroscale models of deformation.

cond-mat.mtrl-sci↗