ICME 2023: Sci Workflow: II
Program Organizers: Charles Ward, AFRL/RXM; Heather Murdoch, U.S. Army Research Laboratory
Tuesday 10:10 AM
May 23, 2023
Room: Caribbean IV
Location: Caribe Royale
Session Chair: Michael Uchic, Air Force Research Laboratory
10:10 AM
VPSC’s New Clothes: Developing a Modern MATLAB API for Automating High-throughput VPSC Experiments: Victoria Miller1; Benjamin Begley1; 1University of Florida
Though lower fidelity than full-field crystal plasticity models, the computationally inexpensive viscoplastic self-consistent polycrystal plasticity model (VPSC) should excel in the high-throughput, rapid-iteration ICME paradigm. However, the text-file interface creates a steep learning curve, and lack of published automation tools for VPSC limits its potential value for ICME. The authors discuss development of a modern application programming interface (API) in MATLAB which streamlines user interaction and includes functionality for automating VPSC experiments. The MTEX toolbox—a library of MATLAB code for representing and transforming crystallographic, microstructural, and deformation data—is used as the exemplar for an easy-to-learn modern API, with a planned integration of the VPSC automation API into the MTEX toolbox for wider accessibility. To demonstrate the high-throughput capabilities, a case study will be presented that uses the VPSC automation API as part of an ICME strategy to optimize the energy efficiency of titanium alloy processing.
10:30 AM
PRISMS-Indentation : An Open-source Crystal Plasticity Finite Element Virtual Indentation Module: Aaron Tallman1; Mohammadreza Yaghoobi2; 1Florida International University; 2University of Michigan
Indentation testing is a convenient and relatively cheap experiment. However, extracting the data from indentation tests requires complex post-processing, often with integrated simulations. Accordingly, the simulation of indentation has become a post-processing routine for indentation tests. Providing a highly efficient, computationally scalable, and open-source platform for indentation simulation provides invaluable machinery for materials design process. An open-source PRISMS-Indentation module is presented here as a multi-scale elasto-plastic virtual indentation framework. The module is implemented as a part of PRISMS-Plasticity software which covers length scales of continuum plasticity and crystal plasticity. The contact problem is handled using active set methods. The efficiency and scaling of the framework are then investigated by simulating a set of indentation problems at different length scales.
10:50 AM
PRISMS-PF: An Open-source High-performance Phase-field Modeling Framework: David Montiel1; Vishwas Goel1; Mohammadreza Yaghoobi1; John Allison1; Katsuyo Thornton1; 1University of Michigan
PRISMS-PF is an open-source, high-performance framework for phase-field simulations of microstructure evolution. It contains over 30 built-in applications to simulate a variety of phenomena, from microgalvanic corrosion to precipitate growth. We present an overview of the framework, including the latest developments in performance, flexibility and ease of use, with emphasis on the latest efforts to integrate PRISMS-PF with other computational frameworks of the PRISMS Center. The first of these is the ongoing work towards integration with PRISMS-Plasticity for coupled modeling of processes such as twin morphology evolution, and static and dynamic recrystallization. The second is the effort towards streamlining integration with the CASM (Cluster Approach to Statistical Mechanics) framework for automated capturing of input physical parameters required by phase-field simulations. Finally, we discuss the latest tools for metadata generation and simulation data storage and organization within the Materials Commons information repository and collaboration platform.
11:10 AM
Uncertainty Reduction of Profilometry-based Indentation Plastometry Using Optical Profilometry: Astrid Rodriguez Negron1; Denny John1; Abhijith Sukumaran1; Arvind Agarwal1; Aaron Tallman1; 1Florida International University
A rich, high-quality data set of metal deformation is necessary to calibrate microstructure sensitive elasto-plastic models. Profilometry-based indentation plastometry (PIP) can be used to study spatial variation in bulk plastic response; however, uncertainty in PIP tests can significantly impede accurate estimation of the variability. PIP relies on a finite element method simulation and a constitutive model of plasticity to calibrate plasticity parameters to the profile of the spherical indentation in an iterative fitting procedure. Here, the uncertainty of the PIP procedure is mitigated to enable the estimation of spatial variability of bulk plastic response at the mm length scale. 2D profile measurements taken by optical profilometry (OP) augment the 1D profiles of the standard PIP method. The uncertainty of both procedures is quantified. Whether PIP is an appropriate test for capturing the variations in plastic response is discussed.
11:30 AM
Uncertainty Quantification in Internal Stress Distribution Via Integrated High-energy Synchrotron X-ray Experiments and Crystal Plasticity Simulations: Diwakar Naragani1; Armand Beaudoin2; Donald Boyce2; Paul Shade3; 1University of Dayton; 2Cornell University; 3AFRL
We present an integrated experimental-modeling framework to quantify uncertainty during the calibration of crystal plasticity model parameters. In-situ X-ray diffraction microscopy measurements yield intergranular lattice orientations and strain tensors at designated states during R=-1 cyclic loading of a Ni-based superalloy. Intragranular fields of incompatible deformation are generated by post-processing measured strains via an anisotropic linear elastic constitutive model augmented by the theory of continuous distribution of dislocations. Complementary fields of back stress are generated via a crystal plasticity formulation with an Armstrong-Frederick-type back stress evolution law. The synthesis of simulated and measured deformation fields provides a basis for quantifying uncertainty in the parameters for evolution of back stress. Preferred reorientation of the crystallographic lattices along with these internal stresses govern the onset of plasticity and the activation of multiple slip systems which developcomplex residual stresses. The framework provides a pipeline to calibrate and quantify uncertainty in alternate material models.