A Path Planning Algorithm for Functionally Graded Materials Design

Alloy Design Strategy to Accelerate Nitriding of Fe alloys : A Combined DFT and CALPHAD Study

Application of Computational Thermodynamics in Yittria Stablized Zirconia System

Atomate: A High-level Interface to Generate, Execute, and Analyze Computational Materials Science Workflows

Automated Computer Design of Kinematically Active Molecular Materials

Building a Co Diffusion Mobility Database for γ/γ’ Co-Superalloys

Calphad-type Assessment of the Ni-Ti-Hf System Combined with the DFT Calculations

Computational Design and Simulation of Ultralow Modulus, Hysteresis-free, and Linear Pseudo-elastic Shape Memory Alloy

Computational Design of Metastable Austenite in the Advanced Transformation Induced Plasticity Steels

Computational Microstructure Characterization and Reconstruction for Multi-scale Analysis of Multi-phase AHSS

Computational Thermodynamic and Machine Learning Approach to Accelerate the Design of High-temperature Alloys

Computational Thermodynamics Aided Design of Co-based γ'-strengthened Superalloys

Coupling Void Coalescence Criteria in Finite Element Models: Application to Tensile Test

Design of a New Multi-element Beta Titanium Alloy Based on D-electron Method

Diffusion Couple Experiments to Support the Development of a Diffusion Mobility Database for the Co-Al-W-Ni-Cr-Ta System

Effect of Stability of Critical Phases in Nickel-based Superalloys: Combined Machine Learning and CALPHAD Approach

ICME-Based Computational Materials Genomic Design

Investigation of Order-disorder Transition in Multi-principal-element Alloys

Machine Learning as the "I" in ICME: Integrating Experiment, Simulation, and Theory for Alloy Design

Materials-by-design: A Mechanism-based Approach

Materials Design Simulator for Al-Ce Based Alloys

Microstructure Evolution and Simulation in 22MnB5 Steel during Hot Stamping

Modeling of Solute-dependent Fluidity and Hot Tearing Sensitivity of Conductive Aluminum Alloys

Modelling of Mechanical Behavior at High Strain Rate of TI-6AL-4V Manufactured by Means of Direct Metal Laser Sintering Technique

Multiscale Modeling for Systematic Design of Metallic Microstructures to Provide Resistance to Fatigue and Wear

On the Fly Efficient Global Optimization Techniques to Accelerate Materials Design

On the Gibbs Energies of Stable and Metastable Simple Oxides

Optimizing Elastic Moduli of the Silicate Glasses through High-throughput Atomistic Modeling and Machine Learning Techniques

Predicting Microstructural Evolution in Oxidation Resistant Coatings during Manufacturing and during Degradation in Service

Prediction of the Abrasive Wear Behaviour of Heat Treated Aluminium-clay Composites.

Quantitative Defect Chemistry Analysis of (La1-xCax)yFeO3±δ Perovskite

Reduced Order Modelling and Smart Regression Sampling of Energy Landscapes

Searching for Corrosion Resistant Mg Alloys Using Genetic Algorithms

SEGROcalc: A Software Tool for Integrated Computational Grain Boundary Engineering

Separation Oxide and Fluride and Sulfur Gases with Hydrogen in Aluminium Industry by Carbon Nano Tube (Monte Carlo Simulation)

Study on the Effect of Applied Pressure on Directional Dendritic Growth by In-situ Observation

The Fundamental Thermodynamic Investigation on the Grade 91 Alloy

Theoretical Investigation of Vacancy Concentration and its Effect on the Kinetics of B2 – L21 Ordering in Ni-Co-Mn-In MetaMagnetic Shape Memory Alloys

Thermodynamic Database for Co-Al-W-Ni-Ti-Ta-Cr Based Superalloys

Thermodynamic Modeling with Uncertainty Quantification and its Implications for Additive Manufacturing

Thermodynamic Properties of Cu–Pb–F Ternary System

Ultralight Metallic/Composite Materials with Architected Cellular Structures

Uncertainty of Thermodynamic Data for Materials Design

Use the Full Potential of the CALPHAD Modeling Tools

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