Chaitanya Sagar Tadi

@barc.gov.in

Research Associate, Reactor Safety Division, Department of Atomic Energy
Bhabha Atomic Research Centre



                 

https://researchid.co/sagartc

RESEARCH INTERESTS

Nuclear Materials, 2D Materials, Computational materials Science, Multiscale Materials Modeling

2

Scopus Publications

21

Scholar Citations

3

Scholar h-index

Scopus Publications

  • Effect of substitutional and vacancy defects on the electrical and mechanical properties of 2D-hexagonal boron nitride
    T. Chaitanya Sagar and Viswanath Chinthapenta
    Springer Science and Business Media LLC

  • Effect of defect guided out-of-plane deformations on the mechanical properties of graphene
    T. Chaitanya Sagar, Viswanath Chinthapenta, and M. F. Horstemeyer
    Informa UK Limited
    Abstract In this paper, nanoscale mechanical properties and failure behavior of graphene with Stone-Wales defect concentration were investigated using molecular dynamics simulations with the latest ReaxFFC-2013 potential that can accurately capture bond breakages of graphitic compounds. The choice of interatomic potential plays an essential role in capturing the deformation mechanism accurately. Stable configuration of two-dimensional graphene experiences out-of-plane deformation leading to ripples and wrinkles in graphene. It is observed that the mechanical properties such as Young’s modulus, ultimate tensile strength, and the fracture strain are dependent on the out-of-plane deformation, temperature, defect concentration, defect orientation, defect layout and loading configuration. It is observed that the post transient phase non-homogenous ripples and wrinkles influence the mechanical properties at low and high defect concentrations, respectively.

RECENT SCHOLAR PUBLICATIONS

  • Effect of defect guided out-of-plane deformations on the mechanical properties of graphene
    TC Sagar, V Chinthapenta, MF Horstemeyer
    Fullerenes, Nanotubes and Carbon Nanostructures 29 (2), 83-99 2021

  • Effect of substitutional and vacancy defects on the electrical and mechanical properties of 2D-hexagonal boron nitride
    TC Sagar, V Chinthapenta
    Journal of Molecular Modeling 26, 1-13 2020

  • Electronic scale properties of pristine stanene and tin forms using ab-initio methods
    C T Sagar, V R Chinthapenta
    Advanced Materials Letters 10 (1), 74-78 2019

  • Lower and Upper Bound Estimates of Material Properties of Pristine Graphene: Using Quantum Espresso
    T Chaitanya Sagar, V Chinthapenta
    Advances in Structural Integrity: Proceedings of SICE 2016, 253-265 2018

  • Second IITH Solid Mechanics Symposium Book of Abstracts Solid Mechanics Group Indian Institute of Technology Hyderabad
    C Sagar, VR Chinthapenta
    Second IITH Solid Mechanics Symposium 2017

MOST CITED SCHOLAR PUBLICATIONS

  • Effect of substitutional and vacancy defects on the electrical and mechanical properties of 2D-hexagonal boron nitride
    TC Sagar, V Chinthapenta
    Journal of Molecular Modeling 26, 1-13 2020
    Citations: 8

  • Effect of defect guided out-of-plane deformations on the mechanical properties of graphene
    TC Sagar, V Chinthapenta, MF Horstemeyer
    Fullerenes, Nanotubes and Carbon Nanostructures 29 (2), 83-99 2021
    Citations: 7

  • Electronic scale properties of pristine stanene and tin forms using ab-initio methods
    C T Sagar, V R Chinthapenta
    Advanced Materials Letters 10 (1), 74-78 2019
    Citations: 4

  • Lower and Upper Bound Estimates of Material Properties of Pristine Graphene: Using Quantum Espresso
    T Chaitanya Sagar, V Chinthapenta
    Advances in Structural Integrity: Proceedings of SICE 2016, 253-265 2018
    Citations: 2