Prince Gollapalli

Journal Publications

Visit my google scholar page for publication list. Write to prince.gollapalli@gmail.com if you want a pdf of the papers.

  1. Role of electronic binding energy on the stability of B, C, N, and O in Fe
    2. P.S.V.R.A. Kishor, Prince Gollapalli, Debolina Misra, Prajeet Oza, Satyesh Kumar Yadav
    Physica B: Condensed Matter | Vol. 668 | Nov 2023, 415264 | Link

    • Decoupled mechanical (distortion) and chemical (electronic binding) energies due to the introduction of solute atoms like B, C, N, and O in Fe.
    • Showed that distortion energy alone does not indicate the preference of solute atoms for a site in bulk.
  2. Predicting formation of chemically graded metal/ceramic interfaces
    3. Prince Gollapalli, PSVRA Kishor, and Satyesh Kumar Yadav
    Computational Materials Science | Vol. 224 | May 2023, 112155 | Link

    • Considered 300 metal/ceramic systems: a combination of 10 metals (M=Ti, Zr, Hf, V, Nb, Ta, Mg, Al, Cr, and Fe) and corresponding 30 ceramics MaXb (X=C, N, and O).
    • Assessed driving force to form a graded interface by calculating vacancy and interstitial formation energies of anions in ceramics and metals, respectively using DFT.
  3. Atomically Chemically Graded Ti/TiN Interface
    4. Prince Gollapalli, J Varalakshmi, PSVRA Kishor, Prajeet Oza, and Satyesh Kumar Yadav
    Applied Surface Science | Vol. 597 | Sep 2022, 153637 | Link

    • Showed atomically graded Ti/TiN interface is theromodynamically more favorable over a sharp interface.
    • A gradual variation in lattice constants and mechanical properties were shown across the interface.
  4. Annealing-induced changes in optoelectronic properties of sputtered copper oxide films
    5. Aarju Mathew Koshy, A. Sudha, Prince Gollapalli, Satyesh Kumar Yadav, and Parasuraman Swaminathan
    Journal of Materials Science: Materials in Electronics | Vol. 33 | May 2022, 13539 | Link
  5. A Computational study on boron dipyromethene ancillary acceptor-based dyes for dye-sensitized solar cells
    6. Ganapathi Rao Kandregula, Sudip Mandal, Gollapalli Prince, Satyesh Kumar Yadav, and Kothandaraman Ramanujam
    New Journal of Chemistry | Vol. 44 | Feb 2020, 4877 | Link

Workshops

  1. Winter School on Integrated Computational Materials Engineering, Indian Institute of Technology Gandhinagar, India, Dec 5-10, 2022.

  2. Materials Project Workshop on computational materials design and discovery (virtual), Berkeley, California, July 28-30, 2020.

  3. Atomistic Simulations of Materials, one-week hands-on course on classical molecular dynamics, Indian Institute of Technology Delhi, India, Dec 23-27, 2019.

Conferences

  1. Gordon Research Conference on Computational Materials Science and Engineering, Jul 31-Aug 5, 2022, Maine, US.
    Poster presentation on "Chemically Graded Metal/Ceramic Interface - A High Throughput DFT Study"

  2. 2021 Virtual MRS Spring Meeting, April 17 - 23, 2021
    Oral presentation on "Chemically Graded Metal/Ceramic Interface - A High Throughput DFT Study"

  3. 20th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Feb 23-25, 2020 (virtual)
    Poster presentation on "Chemically Graded Metal/Ceramic Interface - A High Throughput DFT Study"

  4. 26th International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM-2019), July 8-12, 2019, Chennai, India
    Poster presentation on "On the Origin of Chemically Graded Metal-Ceramic Interface"