ProgramMaster Logo
Conference Tools for 2025 TMS Annual Meeting & Exhibition
Login
Register as a New User
Help
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Symposium
Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Algorithms Development in Materials Science and Engineering
Sponsorship TMS Materials Processing and Manufacturing Division
TMS: Computational Materials Science and Engineering Committee
TMS: Integrated Computational Materials Engineering Committee
TMS: Phase Transformations Committee
TMS: Process Technology and Modeling Committee
TMS: Alloy Phases Committee
Organizer(s) Remi Dingreville, Sandia National Laboratories
Saaketh Desai, Sandia National Laboratories
Hojun Lim, Sandia National Laboratories
Jeremy K. Mason, University of California, Davis
Vimal Ramanuj, Oak Ridge National Laboratory
Sam Reeve, Oak Ridge National Laboratory
Douglas E. Spearot, University of Florida
Scope A foundational aspect of Materials Science is to understand, characterize, and predict the underlying mechanisms and behaviors of materials. Computational modeling and simulation provide many critical insights in these efforts, but also require constant development, validation, and application of numerical techniques.

This symposium invites abstracts on the development and application of novel algorithms for materials science and engineering. This year’s symposium will especially focus on (but is not limited to) the following topical areas:

  • Novel methodologies for data mining, machine learning, image processing, microstructure generation, high-throughput databases and experiments.
  • Surrogate and reduced-order modeling, and extracting useful insights from large data sets of numerical and experimental results.
  • Algorithm development to enhance or accelerate classical computational materials science tools including density functional theory, molecular dynamics, Monte Carlo simulation, dislocation dynamics, phase-field modeling, CALPHAD, crystal plasticity, and finite element analysis.
  • Development of novel physics-based, multiscale, multi-physics materials modeling.
  • Algorithm development for fusing and evaluating the quality of multimodal data and their incorporation into computational materials workflows.
  • Uncertainty quantification, statistical metrics from image-based synthetic microstructure generation, model comparisons, and validation studies related to novel algorithms and/or methods in computational material science.
  • Development of novel methodologies for the analysis and management of data, including best practices for `FAIRization’ of data (FAIR: Findable, Accessible, Interpretable, Reproducible), as well as best practices for research software development and dissemination.

Selected presentations will be invited to submit full papers for a IMMI issue (5-10 papers).
Abstracts Due 07/15/2024
Proceedings Plan Planned:
PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

10-fold faster molecular dynamics: 100 µs of grain boundary evolution
3D Surrogate Model Training using Active Learning for Elasto-viscoplastic FFT Simulations of Pore Morphologies from Laser Powder Bed Fusion of Ti64
A Multi-Objective Hot Rolling Unit Scheduling Method Integrated With Casting-Rolling Coordination Optimization
A multiphase-field formulation of the Sharp Phase Field Method
A statistical approach to revealing structure-property relationships and “defects” in amorphous metal oxides
A Transition Interface Sampling Study of Nano-Void Nucleation in Magnesium Alloys
Accelerating Large Multiscale Composite Simulations with a GNN/LSTM Microscale Surrogate
Accelerating molecular dynamics simulations using mass rescaling and asynchronous time integrators
Advanced Computational Techniques and Deep Learning Algorithms for the Automated Modeling and Design of Materials
AMMBER: The AI-enabled Microstructure Model BuildER
An Edgeworth Cross Mutual Information Function for Multimodal Pattern Matching
Bayesian Classification for Constraining the Design of Compositionally Graded Alloys (CGAs)
Comparative Study of Chemical Short Range Order Structure Construction in Multi-Principal Element Alloys
Comparison of crystal plasticity model predictions with DIC measured strain fields on nickel clones
Computational multiphysics problems in materials science with Alamo
Computer-Vision Based Characterization of Shock-Induced Plasticity in Atomistic Simulations
Critical cross slip stresses in several FCC metals uncovered via phase field dislocation dynamics
Crystallographic Orientation dependence on Intragranular Void Evolution and Failure in Aluminum Alloy: A Case Study of Coupled Phase Field Damage and Crystal Plasticity Modeling
Data assimilation system using phase-field simulation for polycrystalline equiaxed dendrite growth
Deep Learning for Quantitative Dynamic Fragmentation Analysis
Developing a stress-senstive nucleation model beyond classical nucleation theory
Developing an algorithm to obtain spatially registered orientation and elastic stiffness tensor data from spatially resolved acoustic spectroscopy maps
Development of interoperable process-structure-property simulation workflows of additive manufacturing using the “Materialize” framework
DiSCoVeR 2.0: incorporating structural similarity as a search criteria for new materials
Discovering High-Performance High Entropy Alloys: A Combined Genetic Algorithm and Machine Learning Approach
Dislocation dynamics during deformation of metals: direct coupling between 3D experimental and 3D simulated movies
Distances in the microstructure state space
Efficient Non-Recyclable Plastics Sorting through Advanced Sensor Fusion and Artificial Intelligence
Elastic constants from charge density distribution in FCC high entropy alloys using CNN and DFT
Elastic strain coupling in DFT-Informed Kinetic Monte Carlo Simulation of Multiphase Thin Film Growth
Enhancing the Performance of Constrained Minimization Algorithm
Enumeration and first-principles based parameterization of interfaces and transformation pathways in alloys using CASM
Explainable Deep Learning Model for Defect Detection during Autoclave Composite Manufacturing
FFT-based Micromechanical Modeling of Stress fields at tip of an elliptical crack by using composite voxels
Generating a database of dislocation predictions from classical interatomic potentials
High-Throughput Optimization of Cermet Coatings using Simulation and Experiments
High fidelity Phase-Field Models of Zr Corrosion with Experimental Validation
High Strain-Rate Microstructural Failure Modes in Refractory Alloys
Implementation of a stress corrosion cracking model in the large-strain elasto-viscoplastic fast Fourier transform modeling framework
Lattice to Continuum
Leveraging Increasingly Complex Test Artifacts to Accelerate Materials Development: Additively Manufactured Aluminum Metal Matrix Composites
Machine Learning Based Classification of Optical Materials
Machine Learning, Simulation and Constraint Algorithms for Interpreting 2D X-ray Diffraction Patterns of Dynamic Compression Experiments
Material Characterization for Sheet Metal Forming Processes Using Deep Learning Methods for Time Series Processing
Micropolar elastoplasticity using fast Fourier transforms
Microstructure-sensitive surrogate modeling of viscoplastic creep in nuclear fuel cladding: a mechanism-based, data-driven approach
Multi-Fidelity Models for Time-Dependent Full-Field Predictions
Non-Schmid Continuum Slip Crystal Plasticity with Implications for Dissipation Rate
On the pressing, computed tomography (CT), mechanical experiments, and multiscale computational modeling with VVUQ of plastic-bonded composite granular materials
Optimizing Material Compositions Using an Ising Model-Based Annealing Method
Performant parallel contact mechanics
Phase field modeling of the impact of the sub-grain structure on the kinetics of recrystallization
Phase field simulation of crystal facet growth of diamonds using MFEM software
Recognizing and characterizing continuous regions of materials design spaces through stochastic microstructure representations
Relaxing the Local Equilibrium Assumption in Quantitative Phase-Field Models
Research Data Management for Reference Data in Materials Science and Engineering Exemplified for Creep Data of Ni-Base Superalloys
Revealing features in Kikuchi patterns to predict plastic deformation localization differences between wrought and additively manufactured metallic materials
Simplistic models for predicting the resolvability of HEDM diffraction peaks in polycrystalline materials
Simulation of Twining-Detwinning in Magnesium Alloys Using an Open-Source Integrated Phase-Field/Crystal-Plasticity Framework
Strongly Physics Constrained Neural Networks: Applications in Solid Mechanics
Surrogate Models for Accelerating CALPHAD-Informed Materials Simulations in MOOSE
Thermally Activated Dislocation Ensembles: Maximum Dissipation and Scaling Relations
Thermodynamic Integration for Dynamically Unstable Systems Using Interatomic Force Constants without Molecular Dynamics
Toucan: Revolutionizing Grain Growth Simulations with Parallel-in-Time Scalability
Working towards a buildable and transferable deep learning model simulating full-field micromechanical evolution of polycrystalline materials


Questions about ProgramMaster? Contact programming@programmaster.org