No Arabic abstract
Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distributions of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). The outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error
Uncertainty involved in computational materials modeling needs to be quantified to enhance the credibility of predictions. Tracking the propagation of model-form and parameter uncertainty for each simulation step, however, is computationally expensive. In this paper, a multiscale stochastic reduced-order model (ROM) is proposed to propagate the uncertainty as a stochastic process with Gaussian noise. The quantity of interest (QoI) is modeled by a non-linear Langevin equation, where its associated probability density function is propagated using Fokker-Planck equation. The drift and diffusion coefficients of the Fokker-Planck equation are trained and tested from the time-series dataset obtained from direct numerical simulations. Considering microstructure descriptors in the microstructure evolution as QoIs, we demonstrate our proposed methodology in three integrated computational materials engineering (ICME) models: kinetic Monte Carlo, phase field, and molecular dynamics simulations. It is demonstrated that once calibrated correctly using the available time-series datasets from these ICME models, the proposed ROM is capable of propagating the microstructure descriptors dynamically, and the results agree well with the ICME models.
The preliminary analyses on a multiscale model of intestinal crypt dynamics are here presented. The model combines a morphological model, based on the Cellular Potts Model (CPM), and a gene regulatory network model, based on Noisy Random Boolean Networks (NRBNs). Simulations suggest that the stochastic differentiation process is itself sufficient to ensure the general homeostasis in the asymptotic states, as proven by several measures.
We propose a new approach to linear ill-posed inverse problems. Our algorithm alternates between enforcing two constraints: the measurements and the statistical correlation structure in some transformed space. We use a non-linear multiscale scattering transform which discards the phase and thus exposes strong spectral correlations otherwise hidden beneath the phase fluctuations. As a result, both constraints may be put into effect by linear projections in their respective spaces. We apply the algorithm to super-resolution and tomography and show that it outperforms ad hoc convex regularizers and stably recovers the missing spectrum.
In this paper, authors focus effort on improving the conventional discrete velocity method (DVM) into a multiscale scheme in finite volume framework for gas flow in all flow regimes. Unlike the typical multiscale kinetic methods unified gas-kinetic scheme (UGKS) and discrete unified gas-kinetic scheme (DUGKS), which concentrate on the evolution of the distribution function at the cell interface, in the present scheme the flux for macroscopic variables is split into the equilibrium part and the nonequilibrium part, and the nonequilibrium flux is calculated by integrating the discrete distribution function at the cell center, which overcomes the excess numerical dissipation of the conventional DVM in the continuum flow regime. Afterwards, the macroscopic variables are finally updated by simply integrating the discrete distribution function at the cell center, or by a blend of the increments based on the macroscopic and the microscopic systems, and the multiscale property is achieved. Several test cases, involving unsteady, steady, high speed, low speed gas flows in all flow regimes, have been performed, demonstrating the good performance of the multiscale DVM from free molecule to continuum Navier-Stokes solutions and the multiscale property of the scheme is proved.
In this paper, we equip the conventional discrete-time queueing network with a Markovian input process, that, in addition to the usual short-term stochastics, governs the mid- to long-term behavior of the links between the network nodes. This is reminiscent of so-called Jump-Markov systems in control theory and allows the network topology to change over time. We argue that the common back-pressure control policy is inadequate to control such network dynamics and propose a novel control policy inspired by the paradigms of model-predictive control. Specifically, by defining a suitable but arbitrary prediction horizon, our policy takes into account the future network states and possible control actions. This stands in clear contrast to most other policies which are myopic, i.e. only consider the next state. We show numerically that such an approach can significantly improve the control performance and introduce several variants, thereby trading off performance versus computational complexity. In addition, we prove so-called throughput optimality of our policy which guarantees stability for all network flows that can be maintained by the network. Interestingly, in contrast to general stability proofs in model-predictive control, our proof does not require the assumption of a terminal set (i.e. for the prediction horizon to be large enough). Finally, we provide several illustrating examples, one of which being a network of synchronized queues. This one in particular constitutes an interesting system class, in which our policy exerts superiority over general back-pressure policies, that even lose their throughput optimality in those networks.