ProgramMaster Logo
Conference Tools for 2018 TMS Annual Meeting & Exhibition
Register as a New User
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Abstract
Meeting 2018 TMS Annual Meeting & Exhibition
Symposium Computational Design and Simulation of Materials (CDSM 2018): Meso/Macroscale Simulations
Presentation Title Scale-parity Preserving Multiscale Models for Investigating the Mechanical Properties of Geopolymers
Author(s) Mohammad Sadat, Sourav Gur, Krishna Muralidharan, George Frantziskonis, Lianyang Zhang
On-Site Speaker (Planned) Krishna Muralidharan
Abstract Scope Using multiscale modeling methods that couple molecular dynamics (MD) and peridynamics (PD) in conjunction with linear elastic theory and strain gradient plasticity theory, the structure and mechanical properties of sodium aluminosilicate geopolymers were examined. A salient feature of the adopted multiscale models was the preservation of scale-parity, as and when information from the atomic-scales were upscaled to the meso- and macro-scales. This was achieved by suitably parameterizing PD inputs from MD, such that the mechanical response of geopolymers at scales accessible to MD were reproduced by PD. The robustness of the coupling schemes was demonstrated by the ability of PD simulations to accurately match experimental measurements of hardness and elastic moduli at meso- and macro-scales. Equally importantly, using the developed multiscale scheme, properties such as hardness, moduli and toughness can be predicted at all scales ranging from the nano- to meso- to the macro-scale.
Proceedings Inclusion? Planned: Supplemental Proceedings volume


2D Simulation of Gradient Zone Formation in Cemented Carbides with Conventional and Alternative Binders
A Chemo-mechanical Phase-field Model for Phase Separation of a Li-ion Battery Electrode Particle to Study Influence of Surface Irregularities during Intercalation
A Consistent Mesoscale Elastoplastic Phase-field Framework
A Crystal Plasticity Finite Element Simulation of Deformation Behavior Using a Real Microstructure-based RVE in a Dual-phase Steel
A Crystal Plasticity Model for Dynamic Recrystallization in Ti-6Al-4V Alloy
A Dislocation Density Based Multiscale Characterization of High Pressure Torsion and Cold Rolled Polycrystalline Copper Microstructure
A Finite Element Simulation for Induction Heat Treatment of Drive Shaft Considering Transformation Plasticity
A Modified Phase-field Model for Crack Propagation in Multiphase Materials
A Quantitative Study of Strain Glass Transition of NiTi-base Shape Memory Alloys
Accelerated Shape Memory Modeling by Kinetic Monte Carlo and FEM: Towards Experimentally-relevant Length Scales in Three Dimensions
CALPHAD Coupled Phase Field Modeling of Sigma Phase Precipitation in Commercial 2507 Super Duplex Stainless Steel Alloy
Comprehensive Phenomenological Modeling to Predict Plastic Flow Curve for Any Arbitrary Isothermal Aging Duration
Computational Design and Simulation of Magnetoelectric Composites for Electric Field-controlled Magnetic Properties
Continuum Scale Modelling of Diffusion-reaction Processes during Coating Deposition
Crystal Plasticity Modeling of Precipitate-strengthened Alloys with Enhanced Mechanical Properties
Ductile Fracture of Multiphase Steel Sheets under Bending
Effect of Bricks’ Waviness on the Mechanical Response of Nacre-inspired Composites
Effect of Porosity on the Stress-strain Response and Hysteretic Energy Dissipation Capacity of NiTi Shape Memory Alloys
Examination of Precipitate Composition, Morphology, and Interactions in Mg-RE Alloys Using Phase Field Modeling
From Process to Performance: A Scale Bridging Numerical Framework for Addressing Joint Formation and Electromigration in Cu/Sn/Cu Interconnections
Influence of Fluid Flow on Morphological Evolution of Seaweed Structures Using Phase Field Modeling
Influence of Platinum Chaplet Pins on Recrystallization Defect in Single Crystal Turbine Blade Casting
Lamellar Eutectic Growth under Natural Convection: A Phase-field-lattice Boltzmann Study
Large Scale Dislocation Dynamics Simulations of Strain Hardening of Ni Microcrystals under Tensile Loading
Lattice Mismatch Modeling of Aluminum Alloys
Macro and Meso-scale Performance of a Super-dislocation Model for Tracking Dislocation Evolution and Interactions
Meso Scale Modeling of Self-assembly and Mechanical Behavior of SWCNT Aerogels
Mesoscale Modeling of Mixed-type Dislocations in Al
Microstructure Prediction for TMW-4M3 during Heat Treatment
Microstructure Prediction of Titanium Aluminides Using Multi-phase Phase Field Modelling
Minimal Continuum Dislocation Dynamics Model for Slip in BCC Metals
Monoclinic Distortion in Nanotwinned Ferroelectrics
Monte Carlo Simulation of Austenite Decomposition to Ferrite in Low Carbon Steel
Multi-scale Materials Modeling to Study the Influence of Microscopic Parameters on the Mechanical Properties of DP Steels under Different Strain Rates: Parametric Study and Optimization
Multi-scale Modelling of a Material Performance in a Cutting Edge of a Mining Bucket Loader
Multi-scale Phase-field Modeling of Microstructure Evolution of Additively Manufactured Metals
Multi Scale Modeling of Material Removal during Chemical Mechanical Polishing in Superconducting Integrated Circuits
Multiscale Modelling of the Morphology and Spatial Distribution of θ' Precipitates in Al-Cu Alloys
Multiscale Simulations of Plastic Deformation in Polycrystalline Metals Using Databases
Phase-field Modelling of Multiply-twinned Structures of FCC Metallic Nanomaterials
Phase-field Simulation Environment for Functional Materials
Phase-field Simulation of Nanodomain Formation in Ti-Nb-O Alloys
Phase-field Simulation of Nodule Microstructure near Grain Boundaries in Nickel-based Alloys
Phase Field and Atomistic Simulation to Study Solidification in Undercooled Titanium
Phase Field Approach to Coupled Phase Transformations and Dislocation Evolution at Large Strains
Phase Field Simulation of Microstructure Evolution Driven by Strong Grain Boundary Anisotropy Computed Using Realistic Models for Grain Boundary Energy
Phase Field Simulations of Grain Boundary Variant Selection and Intragranular Microstructure Formation in Polycrystalline Ti-6Al-4V
Phase Field Study on the Formation of Lath Martensite
Predicting Self-organization of Nanostructured Morphologies in Physical Vapor Deposited Phase-separating Alloys
Process Simulation of H13 Steel Dipping into Molten Aluminum and Prediction of its Thermal Fatigue Cracking
Scale-parity Preserving Multiscale Models for Investigating the Mechanical Properties of Geopolymers
Scaling of Molecular Dynamics Simulations to the Mesoscales Using Quasi Coarse Grained Dynamics
Simulating Phase Transformation and Texture Evolution during Forging of Ti6Al4V
Sintering Dynamics in Direct Write Additive Manufacturing Processes: A Phase Field Model
Smoothed Particle Hydrodynamics Simulation of Impact Welding Process
Statistical Behavior of Ideal Grain Growth: An Ultra-large-scale Phase-field Simulation Study
Study on the Effects of Contact Pressure and Process Parameters on the Casting-mold Interfacial Heat Transfer in Squeeze Casting
Submicron Scale {1012} Tensile Twin Embryo Size in Magnesium and its Dependence on Neighboring Grains
Transient Computational Model for the Prediction of Grain Structure Evolution during Bridgman Solidification of Gamma-TiAl Alloys.
Understanding Slip Mediated Plasticity in Hexagonal Close Packed Crystals Using Phase Field Dislocation Dynamics
Unraveling the Evolution of Microstructure of Materials at the Mesoscales Using Quasi-coarse-grained Dynamics Simulations

Questions about ProgramMaster? Contact