Multi Scale Modeling of Microstructure Deformation in Material Processing: Multi Scale Modeling of Microstructure Deformation in Material Processing
Sponsored by: AIST Metallurgy — Processing, Products & Applications Technology Committee
Program Organizers: Lukasz Madej, AGH University of Science and Technology; Jaimie Tiley, Oak Ridge National Laboratory; Krzysztof Muszka, AGH University of Science and Technology; Danuta Szeliga, AGH University of Science and Technology
Monday 8:00 AM
October 10, 2022
Room: 403
Location: David L. Lawrence Convention Center
Session Chair: Krzysztof Muszka, AGH University
8:00 AM
PRISMS-fatigue: A General Framework for Fatigue Analysis in Polycrystalline Metals and Alloys Using the Crystal Plasticity Finite Element Method: Mohammadreza Yaghoobi1; Krzysztof S. Stopka2; Aaditya Lakshmanan1; Veera Sundararaghavan1; John E. Allison1; David L. McDowell3; 1University of Michigan; 2Purdue University; 3Georgia Institute of Technology
A novel open source framework that enables simulation-based comparisons of microstructures with regard to fatigue resistance is presented here for polycrystalline metals and alloys. The framework uses the crystal plasticity finite element software PRISMS-Plasticity as its microstructural analysis tool. This framework provides a highly efficient, scalable, easily modified, and easy-to-use ICME community platform. The performance and flexibility of this framework is demonstrated with various examples, including effects of crystallographic texture, grain morphology, strain state, free surface effects, and choice of FIP on the driving forces for fatigue crack formation. The results show that the multilevel parallelism scheme of PRISMS-Fatigue framework is more efficient and scalable than ABAQUS for microstructure instantiations having over one million degrees of freedom. The links between the PRISMS-Fatigue and experimental characterization techniques and virtual microstructure generators are elaborated. PRISMS-Fatigue is also linked to the information repository of Materials Commons to store and share inputs and results.
8:20 AM
Microstructure Based Computational Analysis of Heterogeneous Materials: Riddhi Joshi1; Tanaji Paul1; Cheng Zhang1; Benjamin Boesl1; Arvind Agarwal1; 1Florida International University
The goal of the study is to computationally estimate the mechanical response of the ultrasonically cast tungsten disulfide reinforced aluminum matrix composites. It is performed with image-based analysis of multi- scale microstructures. Object oriented finite element analysis (OOF2) is a two-dimensional image-based tool developed by National Institute to Standards and Technology (NIST). It performs numerical analysis to estimate thermo-mechanical properties by accounting for actual features of the microstructures. The results of the microstructure with no ultrasonication were compared with 45s of ultrasonication time. Ultrasonication of the composites, resulted enhancement of mechanical properties. In this study, a unique approach of comparing the outcome from experimental technique of nanoindentation and numerical analysis of finite element analysis were employed that shows the exceptional accuracy of mechanical property predictions by OOF2. The results showed that ultrasonication of Al – WS2 increased the elastic modulus from 2% to 6% from low to high magnification microstructure.
8:40 AM
Development of the Random Cellular Automata Model of Unconstrained Grain Growth: Mateusz Sitko1; Michal Czarnecki1; Lukasz Madej1; 1AGH University of Science and Technology
The paper focuses on the development of the random cellular automata (RCA) model for the full field unconstrained grain growth simulation. The algorithm for the generation of initial RCA cells alignment is described first. Then the grain growth model assumptions, including the neighborhood selection algorithm, are highlighted. Random cellular automata model parameters that can replicate grain growth without artifacts are presented as a research outcome.
9:00 AM
Hardness-dependent Plasticity and Damage Initiation Within Simulated Tension-shear Testing of AHSS Resistance Spot Welds: Eric Brizes1; Nathan Daubenmier1; Antonio Ramirez1; 1OSU Welding Engineering
Integrated modeling frameworks that simulate automotive spot welding of advanced high-strength steels (AHSS) need to consider local fusion zone and heat-affected zone properties because these regions have significantly different mechanical behaviors than the base material. A recently developed numerical method to predict hardness across the spot welded joint, coupled with scaling of the base material flow stress is evaluated in this work to quantify such a general approach's impact on simulated weld performance testing. Experimental spot welds of various nugget diameters were made on a press-hardenable AHSS and destructively tested in the tension-shear test configuration. Finite element simulation of tension-shear testing was performed using hardness-dependent material plasticity and damage. A comparison of the simulated and experimental tension-shear tests showed good agreement and enabled prediction of the joint peak force and displacement at failure with minimal errors of 10% and 14%, respectively, and correct classification of spot weld fracture mode.
9:20 AM
New Insights into the Cube Texture Development during Recrystallization of High to Medium SFE FCC Metals: Supriyo Chakraborty1; Chaitali Patil1; Stephen Niezgoda1; Yunzhi Wang1; 1The Ohio State University
The origin of cube texture during recrystallization of medium to high stacking-fault energy FCC metals has been debated for several decades. However, evolution of the cube component during deformation is not studied well and hence, it is still unclear what are the favorable nucleation sites for the cube oriented grains. To resolve this issue, we applied a 3D full field crystal plasticity model utilizing a dislocation density based constitutive theory for the simulation of plane strain compression of polycrystalline copper. Simulation results reveal that some of the grains with initially non-cube orientations developed the cube component during the deformation. Local deformation conditions play a major role in the development of such cube oriented deformed regions. Analysis of the disorientation angle and the dislocation density difference with the neighboring locations shows that the cube component developed during the deformation can play a significant role during nucleation.
9:40 AM
Multi Scale Modeling of Elastic Properties of FeMnNiCoMo System: Kamil Cichocki1; Tomasz Kargul1; Piotr Bala1; Krzysztof Muszka1; 1AGH University of Science and Technology
High entropy alloys (HEA) are relatively new group of metallic materials that offer new, enhanced properties and show potenial in various fields of applications. In the current research, Ab-initio and molecular dynamic simulation approach to analyze the effect of chemical composition (Mo content) on phase stability and elastic properties of the FeMnNiCoMo system, was applied. For elastic constants calculations Thermo_pw module for Quantum Espresso was used. The solid solution models were prepared using the special quasi-random structures. Finally, the anisotropies of bulk, shear and Young moduli as well as Poisson's ratio, were calculated both for solid solution and for μ phase. Finally, by comparison of experimentally measured and calculated thermal expansion coefficient it was proven that the proposed modeling approach shows potential in prediction of elastic properties of complex HEA systems.
10:00 AM
Stochastic Model Describing Phase Transformations in Steels Accounting for a Random Character of Nucleation: Danuta Szeliga1; Roman Kuziak2; Lukasz Poloczek2; Jan Kusiak1; Maciej Pietrzyk1; 1AGH University of Science and Technology; 2Łukasiewicz Research Network, Institute for Ferrous Metallurgy
An important problem of the heterogeneity of the multiphase microstructure was considered in the paper. The stochastic model of multi-step hot deformation was applied to calculate histograms of the dislocation density and the grain size at the beginning of phase transformations. These histograms were used as input for simulation of phase transformations. Conventional deterministic model of the kinetics of transformations was connected with a stochastic model of nucleation. Heterogeneity of the phase composition was calculated for various constant cooling rates, as well as for the industrial laminar cooling process. The results showing an influence of the heterogeneity of the dislocation density and the grain size on the microstructure heterogeneity in the final product can be considered reliable, because they are based on the material models, which were identified and verified experimentally in earlier publications. The effect of the uncertainty of the boundary conditions is presented in a qualitative manner.