Session Sheet - The 7th International Congress on 3D Materials Science (3DMS 2025): Methods of Materials Simulation and Modelling in 3D & 4D II

The 7th International Congress on 3D Materials Science (3DMS 2025): Methods of Materials Simulation and Modelling in 3D & 4D II
Program Organizers: Henry Proudhon, Mines Paris Centre Des Materiaux; Can Yildirim, European Synchrotron Radiation Facility

Tuesday 2:20 PM
June 17, 2025
Room: Platinum Ballroom 2
Location: Anaheim Marriott

Session Chair: Justin Norkett, Naval Surface Warfare Center Carderock

2:20 PM
Conforming Mesh Generation from 3D Experimental Images: Daniel Pino Munoz¹; Jean-Luc Bouvard¹; Pierre-Oliver Bouchard¹; Marc Bernacki¹; ¹Mines Paristech, PSL University
    Advancements in experimental techniques have led to an increased availability of three-dimensional (3D) microstructural data for various materials. However, voxelized representations of these data can limit the applicability of some numerical methods for microstructural analysis, including mechanics, damage, and phase transformation. In this study, we introduce a technique for generating conformal finite element meshes directly from microstructural images. Our method utilizes segmented images as input, where labeled phases are employed to generate signed distance functions that subsequently create the conformal mesh. This approach enables the application of advanced numerical techniques to study physical phenomena at the microstructural level without the constraints imposed by voxelized representations.

2:40 PM
A Versatile Tool for 3DMS, ICME and AI for MS Applications: Fast Fourier Transform (FFT)-Based Modelling of Microstructure/Property Relationships of Polycrystalline Materials: Ricardo Lebensohn¹; Miroslav Zecevic¹; ¹Los Alamos National Laboratory
     Crystal plasticity (CP) models are extensively used to obtain microstructure/property relationships of polycrystalline materials. FFT-based methods, originally proposed by Moulinec and Suquet (1998) for composites, extended to polycrystals by Lebensohn (2001), and currently implemented for non-local large-strain elasto-viscoplasticity [1], are very competitive compared with CP-Finite Elements for some applications, due their higher efficiency and their direct use of voxelized microstructural images. In this talk, we will report recent progress on FFT-based polycrystal plasticity that expands its applicability, including strain-gradient plasticity, achieving geometric accuracy working with voxelized images, non-periodic extensions, and dynamic effects. We will show applications of these methods to micromechanics of nano-metallic laminates, multiscale coupling with Lagrangian hydrocodes, integration with 3DMS characterization methods, use for training and validation of AI models for material science applications, and an ICME application to optimize creep behavior of materials.[1] Zecevic M., Lebensohn R.A., Capolungo L. JMPS 173, 105187 (2023).

3:00 PM Break

3:30 PM
A High-Fidelity Fatigue-Life Modeling Framework Using Fast Fourier Transforms: Nathan Searle¹; Krishna Logakannan¹; Laura Vietz¹; Benjamin Anglin²; Ashley Spear¹; ¹University of Utah; ²Naval Nuclear Laboratory
    Early stages of fatigue crack evolution typically dominate total fatigue life and contribute to observed scatter in total life among components. Current fatigue modeling techniques at microstructure scale focus primarily on predicting either crack initiation or microstructurally small crack (MSC) propagation, relying on overly-conservative assumptions to then estimate total fatigue life. Development of a method that incorporates both initiation and MSC propagation stages of fatigue life has largely been prohibited by the computational costs of running more than a few cycles of loading, especially when using crystal plasticity-based finite element methods. Through use of Fast Fourier Transform (FFT) methods, this work aims to develop a framework that seamlessly integrates predictions of fatigue-crack initiation and subsequent MSC propagation in 3D polycrystals. By implementing back stress, fatigue indicator parameters, damage evolution, and crack propagation within a parallelized FFT code, the new framework enables computationally efficient, high-fidelity predictions of microstructure-sensitive fatigue crack evolution.

3:50 PM
Modeling the Hardening and Damage Evolution of Additively Manufactured Metal Matrix Composites Using an Elasto-Viscoplastic FFT-Based Framework: Claire Ticknor¹; Jamila Khanfri²; Alex Butler²; Josh Kacher²; Aaron Stebner²; Ashley Spear¹; ¹University of Utah; ²Georgia Institute of Technology
    Additively manufactured (AM) particle-reinforced metal matrix composites (MMCs) combine two fundamental advantages: 1) the additive process can rapidly produce metal parts with complex geometries, and 2) metal matrix composites display enhanced mechanical strength relative to pure metal. A fundamental aspect of designing AM MMCs to meet mechanical performance targets includes high-fidelity models that effectively capture the hardening and damage response of the material, which is affected by the amount of reinforcement particles, process-induced microstructure, and presence of defects. We propose a modeling framework using a large-strain elasto-viscoplastic fast Fourier transform (EVPFFT) code that incorporates an AM MMC-specific work-hardening formulation coupled with triaxiality-based continuum damage mechanics. With this framework, the deformation and failure for multiple volume fractions of particle reinforcements and the resulting tradeoffs of strength and ductility in polycrystalline AM MMCs can be simulated. This work aids the understanding of the structure-to-property relationships of AM MMCs to enable performance-based designs.

4:10 PM
Modeling of Structure and Deformation Processes for Titanium Alloys: Andrey Musienko¹; ¹NRC ŤKurchatov Instituteť - CRISM ŤPrometeyť
    Structures of (α + β) titanium alloys are various. Among them possible to name typicals. Properties of titanium and alloys known from reference manuals and experimental results. Modeling on basis of microstructure fragment images allows us to capture phase composition, large and small crystallites of a different form. Estimated fields of mechanical stress and micro strain heterogeneity are then obtained. Results were verified, compared locally and on the basis of integrated energy criterion. Consideration of physical fields taking in account microstructure evolution on the example of titanium alloys – interesting knowledge domain.