Somnath Bharech | Searcharxiv

arXiv2024

ML-extendable framework for multiphysics-multiscale simulation workflow and data management using Kadi4Mat

As material modeling and simulation has become vital for modern materials science, research data with distinctive physical principles and extensive volume are generally required for full elucidation of the material behavior across all relevant scales. Effective workflow and data management, with corresponding metadata descriptions, helps leverage the full potential of data-driven analyses for computer-aided material design. In this work, we propose a research workflow and data management (RWDM) framework to manage complex workflows and resulting research (meta)data, while following FAIR principles. Multiphysics multiscale simulations for additive manufacturing investigations are treated as showcase and implemented on Kadi4Mat: an open source research data infrastructure. The input and output data of the simulations, together with the associated setups and scripts realizing the simulation workflow, are curated in corresponding standardized Kadi4Mat records with extendibility for further research and data-driven analyses. These records are interlinked to indicate information flow and form an ontology based knowledge graph. Automation scheme for performing high-throughput simulation and post-processing integrated with the proposed RWDM framework is also presented.

cond-mat.mtrl-sci↗

arXiv2023

Elasto-plastic residual stress analysis of selective laser sintered porous materials based on 3D-multilayer thermo-structural phase-field simulations

Residual stress and plastic strain in additive manufactured materials can exhibit significant microscopic variation at the powder scale, profoundly influencing the overall properties of printed components. This variation depends on processing parameters and stems from multiple factors, including differences in powder bed morphology, non-uniform thermo-structural profiles, and inter-layer fusion. In this research, we propose a powder-resolved multilayer multiphysics simulation scheme tailored for porous materials through the process of selective laser sintering. This approach seamlessly integrates finite element method (FEM)-based non-isothermal phase-field simulation with thermo-elasto-plastic simulation, incorporating temperature- and phase-dependent material properties. The outcome of this investigation includes a detailed depiction of the mesoscopic evolution of stress and plastic strain within a transient thermo-microstructure, evaluated across a spectrum of beam power and scan speed parameters. Simulation results further reveal the underlying mechanisms. For instance, stress concentration primarily occurs at the necking region of partially melted particles and the junctions between different layers, resulting in the accumulation of plastic strain and residual stress, ultimately leading to structural distortion in the materials. Based on the simulation data, phenomenological relation regarding porosity/densification control by the beam energy input was examined along with the comparison to experimental results. Regression models were also proposed to describe the dependency of the residual stress and the plastic strain on the beam energy input.

cond-mat.mtrl-sci↗