Comptational Design Of Functional CA-S-H and Oxide Doped Alloy Systems

ORAL

Abstract

Computer aided functional materials design accelerates the discovery of novel materials. This presentation will cover our recent research advance on the Ca-S-H system properties prediction and oxide doped high entropy alloy property simulation and experiment validation. Several recent developed computational materials design methods were utilized to the two systems physical and chemical properties prediction. A comparison of simulation results to the corresponding experiment data will be introduced.

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Authors

  • Shizhong Yang

    Southern University and A&M College

  • Lokeshwar Chilla

    Southern University and A&M College

  • Shizhong Yang

    Southern University and A&M College

  • Kuo Li

    Southern University and A&M College, Southern University and A \& M College, Baton Rouge, Louisiana

  • Scott Wicker

    Southern University and A&M College

  • Guang-Lin Zhao

    Southern University and A&M College, Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, Louisiana, 70813, USA, Southern University and A \& M College, Baton Rouge, Louisiana

  • Ebrahim Khosravi

    Southern University and A&M College

  • Shuju Bai

    Southern University and A&M College

  • Boliang Zhang

    Department of Mechanical and Industrial Engineering, Louisiana State Univ - Baton Rouge, Louisiana State University

  • Shengmin Guo

    Department of Mechanical and Industrial Engineering, Louisiana State Univ - Baton Rouge, Louisiana State University, Department of Mechanical and Industrial Engineering, Louisiana State University, Baton Rouge, LA 70803