Sabyasachi Chatterjee's blog

A formal hierarchy of exact evolution equations are derived for physically relevant space-time averages of state functions of microscopic dislocation dynamics. While such hierarchies are undoubtedly of some value, a primary goal here is to expose the intractable complexity of such systems of nonlinear partial differential equations that, furthermore, remain ‘non-closed,’ and therefore subject to phenomenological assumptions to be useful. It is instead suggested that such hierarchies be terminated at the earliest stage possible and effort be expended to derive closure relations for the ‘non-closed’ terms that arise from the formal averaging by taking into account the full-stress-coupled microscopic dislocation dynamics (as done in [CPZ+ 20]), a matter on which these formal hierarchies, whether of kinetic theory type or as pursued here, are silent.

Sabyasachi Chatterjee, Giacomo Po, Xiaohan Zhang, Amit Acharya, Nasr Ghoniem

A novel, concurrent multiscale approach to meso/macroscale plasticity is demonstrated. It utilizes a carefully designed coupling of a partial differential equation (pde) based theory of dislocation mediated crystal plasticity with time-averaged inputs from microscopic Dislocation Dynamics (DD), adapting a state-of-the-art mathematical coarse-graining scheme. The stress- strain response of mesoscopic samples at realistic, slow, loading rates up to appreciable values of strain is obtained, with significant speed-up in compute time compared to conventional DD. Effects of crystal orientation, loading rate, and the ratio of the initial mobile to sessile dislocation density on the macroscopic response, for both load and displacement controlled simulations are demonstrated. These results are obtained without using any phenomenological constitutive assumption, except for thermal activation which is not a part of microscopic DD. The results also demonstrate the effect of the internal stresses on the collective behavior of dislocations, manifesting, in a set of examples, as a Stage I to Stage II hardening transition.

Sabyasachi Chatterjee, Amit Acharya, Zvi Artstein

A computational tool for coarse-graining nonlinear systems of ordinary differential equations in time is discussed. Three illustrative model examples are worked out that demonstrate the range of capability of the method. This includes the averaging of Hamiltonian as well as dissipative microscopic dynamics whose ‘slow’ variables, defined in a precise sense, can often display mixed slow-fast response as in relaxation oscillations, and dependence on initial conditions of the fast variables. Also covered is the case where the quasi-static assumption in solid mechanics is violated. The computational tool is demonstrated to capture all of these behaviors in an accurate and robust manner, with significant savings in time. A practically useful strategy for initializing short bursts of microscopic runs for the accurate computation of the evolution of slow variables is also developed.