Computational Materials System Design

Front Matter ....Pages i-vii
 Microstructure-Sensitive Computational Structure-Property Relations in Materials Design  (David L. McDowell)....Pages 1-25
 Design of Materials Processing Using Computational Thermodynamics  (Cassie Marker, Austin Ross, Zi-Kui Liu)....Pages 27-45
 Applications of Thermodynamic Database to the Kinetic Steelmaking Process Simulations  (Marie-Aline Van Ende, In-Ho Jung)....Pages 47-66
 Phase Field Modeling of Microstructural Evolution  (Stephen DeWitt, Katsuyo Thornton)....Pages 67-87
 1D Solidification Model for the Prediction of Microstructural Evolution in Light Alloys  (Manas Paliwal, In-Ho Jung)....Pages 89-103
 Multiscale Crystalline Plasticity for Materials Design  (David L. McDowell)....Pages 105-146
 Ab Initio Molecular Dynamics Studies of Fast Ion Conductors  (Zhuoying Zhu, Zhi Deng, Iek-Heng Chu, Balachandran Radhakrishnan, Shyue Ping Ong)....Pages 147-168
 High-Throughput Computing for Accelerated Materials Discovery  (Wei Chen)....Pages 169-191
 Materials Data Infrastructure and Materials Informatics  (Joanne Hill, Arun Mannodi-Kanakkithodi, Ramamurthy Ramprasad, Bryce Meredig)....Pages 193-225
Back Matter ....Pages 227-233