Crystals with spatial variations in their axes naturally evolve into cells or grains separated by sharp walls. 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. 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.

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.

Exploring a recently developed mesoscale continuum theory of dislocation dynamics, we derive three predictions about plasticity and grain boundary formation in crystals. (1) There is a residual stress jump across grain boundaries and plasticity-induced cell walls as they form, which self-consistently acts to attract neighboring dislocations; residual stress in this theory appears as a remnant of the driving force behind wall formation under both polygonization and plastic deformation. We derive the predicted asymptotic late-time dynamics of the grain-boundary formation process. (2) During grain boundary formation at high temperatures, there is a predicted cusp in the elastic energy density. (3) In early stages of plasticity, when only one type of dislocation is active (single-slip), cell walls do not form in the theory; instead we predict the formation of a hitherto unrecognized jump singularity in the dislocation density. r

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.

a b s t r a c tIn 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 given by Yefimov et al. [2004b. A comparison of a statistical-mechanics based plasticity model with discrete dislocation plasticity simulations. J. Mech. Phys. Solids 52, 279-300]. In this dislocation field theory (DiFT) the transport equations for both the total dislocation density and geometrically necessary dislocation (GND) density 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 the stress response to changes in controlled parameters in both problems. Comparisons with previous discrete dislocation simulations are discussed.

Quantum algorithm is an algorithm for solving mathematical problems using quantum systems encoded as information, which is found to outperform classical algorithms in some specific cases. The objective of this study is to develop a quantum algorithm for finding the roots of nth degree polynomials where n is any positive integer. In classical algorithm, the resources required for solving this problem increase drastically when n increases and it would be impossible to practically solve the problem when n is large. It was found that any polynomial can be rearranged into a corresponding companion matrix, whose eigenvalues are roots of the polynomial. This leads to a possibility to perform a quantum algorithm where the number of computational resources increase as a polynomial of n. In this study, we construct a quantum circuit representing the companion matrix and use eigenvalue estimation technique to find roots of polynomial.

The energetically driven Ehrlich-Schwoebel barrier had been generally accepted as the primary cause of the growth instability in the form of quasiregular moundlike 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 show that there exists a topological uphill particle current with strong dependence on specific lattice crystalline structure. Without any energetically induced barriers, 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.

We investigate dynamical properties of traffic flow using the stochastic car-following model with modified optimal velocity on circular road. The safety distance following the two-second rule and autonomous vehicles, acting as agents, obeying simple requirements are incorporated into the model. The dynamic safety distance increases in a light traffic condition where the average driving velocity is high, while decreases in a dense traffic condition in anticipation of slower traffic motion. The results show that the presence of the agents can enhance overall velocity and traffic current of the system, and postpone the traffic congestion. In a particular phase region, imposing a speed limit enables the system to leave the congested flow phase. The density-dependent speed limit in agent-free condition is obtained to achieve the optimal traffic flow.