Dr. T. Chaitanya Sagar

Computational Materials Researcher

Journals

  1. Chaitanya Sagar, T., Chinthapenta, V., & M F Horstemeyer (2020). Effect of defect guided out-of-plane deformations on the mechanical properties of graphene, accepted in Fullerenes, Nanotubes and Carbon Nanostructures
  2. Chaitanya Sagar, T., & Chinthapenta, V. (2020). Effect of substitutional and vacancy defects on the electrical and mechanical properties of 2D-hexagonal boron nitride, Journal of Molecular Modeling 26 (8), 1-13.

Book Chapter

  1. Chaitanya Sagar, T., & Chinthapenta, V. (2018). Lower and Upper Bound Estimates of Material Properties of Pristine Graphene: Using Quantum Espresso. In R. Prakash, V. Jayaram, & A. Saxena (Eds.), Advances in Structural Integrity (pp. 253–265). Singapore: Springer Singapore. DOI: 10.1007/978-981-10-7197-3_22

#OtherChaitanya Sagar, T., & Chinthapenta, V. (2018). Electronic scale properties of pristine stanene and tin forms using ab-initio methods. Advanced Materials Letters. DOI: 10.5185/amlett.2018.2154.

Conference Presentations

  1. Sagar, T. Chaitanya , Investigation of Stiffness coefficients of pristine graphene at various scales, 5th World Congress on Integrated Computational Materials Engineering (ICME 2019), Indianapolis, Indiana, USA, July 21-25, 2019.
  2. Sagar, T. Chaitanya , Electronic scale properties of Stanene, Advanced Materials World Congress(AMWC-2018), Singapore, February 3-9, 2018.
  3. Sagar, T. Chaitanya , Elastic properties of SWCNT-Si nanocomposite, International Conference on Composite Materials and Structures (ICCMS-2017), Hyderabad, India, December 27-29, 2017.
  4. Sagar, T. Chaitanya , Study of properties of materials using ab-initio quantum chemistry tool Quantum ESPRESSO: A case study on graphene, First Structural Integrity Conference and Exhibition (SICE-2016), Bangalore, India, July 4-6, 2016.