Study of size effects in thin films by means of a crystal plasticity theory based on DiFT

In a recent publication, we derived the mesoscale continuum theory of plasticity for multiple-slip systems of parallel edge dislocations, motivated by the statistical-based nonlocal continuum crystal plasticity theory for single-glide due to Yefimov et al. (2004b). In this dislocation field theory (DiFT) the transport equations for both the total dislocation densities and geometrically necessary dislocation densities on each slip system were obtained from the Peach-Koehler interactions through both single and pair dislocation correlations. The effect of pair correlation interactions manifested itself in the form of a back stress in addition to the external shear and the self-consistent internal stress. We here present the study of size effects in single crystalline thin films with symmetric double slip using the novel continuum theory. Two boundary value problems are analyzed: (1) stress relaxation in thin films on substrates subject to thermal loading, and (2) simple shear in constrained films. In these problems, earlier discrete dislocation simulations had shown that size effects are born out of layers of dislocations developing near constrained interfaces. These boundary layers depend on slip orientations and applied loading but are insensitive to the film thickness. We investigate stress response to changes in controlled parameters in both problems. Comparisons with previous discrete dislocation simulations are discussed.Comment: 20 pages, 11 figure

Growth instability due to lattice-induced topological currents in limited mobility epitaxial growth models

The energetically driven Ehrlich-Schwoebel (ES) barrier had been generally accepted as the primary cause of the growth instability in the form of quasi-regular mound-like structures observed on the surface of thin film grown via molecular beam epitaxy (MBE) technique. Recently the second mechanism of mound formation was proposed in terms of a topologically induced flux of particles originating from the line tension of the step edges which form the contour lines around a mound. Through large-scale simulations of MBE growth on a variety of crystalline lattice planes using limited mobility, solid-on-solid models introduced by Wolf-Villain and Das Sarma-Tamborenea in 2+1 dimensions, we propose yet another type of topological uphill particle current which is unique to some lattice, and has hitherto been overlooked in the literature. Without ES barrier, our simulations produce spectacular mounds very similar, in some cases, to what have been observed in many recent MBE experiments. On a lattice where these currents cease to exist, the surface appears to be scale-invariant, statistically rough as predicted by the conventional continuum growth equation.Comment: 10 pages, 12 figure

Mesoscale theory of grains and cells: crystal plasticity and coarsening

Solids with spatial variations in the crystalline axes naturally evolve into cells or grains separated by sharp walls. Such variations are mathematically described using the Nye dislocation density tensor. At high temperatures, polycrystalline grains form from the melt and coarsen with time: the dislocations can both climb and glide. At low temperatures under shear the dislocations (which allow only glide) form into cell structures. While both the microscopic laws of dislocation motion and the macroscopic laws of coarsening and plastic deformation are well studied, we hitherto have had no simple, continuum explanation for the evolution of dislocations into sharp walls. We present here a mesoscale theory of dislocation motion. It provides a quantitative description of deformation and rotation, grounded in a microscopic order parameter field exhibiting the topologically conserved quantities. The topological current of the Nye dislocation density tensor is derived from a microscopic theory of glide driven by Peach-Koehler forces between dislocations using a simple closure approximation. The resulting theory is shown to form sharp dislocation walls in finite time, both with and without dislocation climb.Comment: 5 pages, 3 figure

Stress-free states of continuum dislocation fields: Rotations, grain boundaries, and the Nye dislocation density tensor

We derive general relations between grain boundaries, rotational deformations, and stress-free states for the mesoscale continuum Nye dislocation density tensor. Dislocations generally are associated with long-range stress fields. We provide the general form for dislocation density fields whose stress fields vanish. We explain that a grain boundary (a dislocation wall satisfying Frank's formula) has vanishing stress in the continuum limit. We show that the general stress-free state can be written explicitly as a (perhaps continuous) superposition of flat Frank walls. We show that the stress-free states are also naturally interpreted as configurations generated by a general spatially-dependent rotational deformation. Finally, we propose a least-squares definition for the spatially-dependent rotation field of a general (stressful) dislocation density field.Comment: 9 pages, 3 figure

On the critical nature of plastic flow: one and two dimensional models

Steady state plastic flows have been compared to developed turbulence because the two phenomena share the inherent complexity of particle trajectories, the scale free spatial patterns and the power law statistics of fluctuations. The origin of the apparently chaotic and at the same time highly correlated microscopic response in plasticity remains hidden behind conventional engineering models which are based on smooth fitting functions. To regain access to fluctuations, we study in this paper a minimal mesoscopic model whose goal is to elucidate the origin of scale free behavior in plasticity. We limit our description to fcc type crystals and leave out both temperature and rate effects. We provide simple illustrations of the fact that complexity in rate independent athermal plastic flows is due to marginal stability of the underlying elastic system. Our conclusions are based on a reduction of an over-damped visco-elasticity problem for a system with a rugged elastic energy landscape to an integer valued automaton. We start with an overdamped one dimensional model and show that it reproduces the main macroscopic phenomenology of rate independent plastic behavior but falls short of generating self similar structure of fluctuations. We then provide evidence that a two dimensional model is already adequate for describing power law statistics of avalanches and fractal character of dislocation patterning. In addition to capturing experimentally measured critical exponents, the proposed minimal model shows finite size scaling collapse and generates realistic shape functions in the scaling laws.Comment: 72 pages, 40 Figures, International Journal of Engineering Science for the special issue in honor of Victor Berdichevsky, 201

Statistical approach to dislocation dynamics: From dislocation correlations to a multiple-slip continuum plasticity theory

Due to recent successes of a statistical-based nonlocal continuum crystal plasticity theory for single-glide in explaining various aspects such as dislocation patterning and size-dependent plasticity, several attempts have been made to extend the theory to describe crystals with multiple slip systems using ad-hoc assumptions. We present here a mesoscale continuum theory of plasticity for multiple slip systems of parallel edge dislocations. We begin by constructing the Bogolyubov-Born-Green-Yvon-Kirkwood (BBGYK) integral equations relating different orders of dislocation correlation functions in a grand canonical ensemble. Approximate pair correlation functions are obtained for single-slip systems with two types of dislocations and, subsequently, for general multiple-slip systems of both charges. The effect of the correlations manifests itself in the form of an entropic force in addition to the external stress and the self-consistent internal stress. Comparisons with a previous multiple-slip theory based on phenomenological considerations shall be discussed.Comment: 12 pages, 3 figure