Shyam Katnagallu

About Me

Currently a science communicator focused on breaking down complex material physics concepts for inexperienced audience. Doing research focused on simulations of metal and alloy surfaces under high electric fields using density functional theory. With extensive background in experimental research using various characterization methods and a keen interest in the development of simulation and analysis methods for atom probe tomography and field ion microscopy. My research also encompasses the application of machine learning and data mining techniques in material science.

Experience

• 2025 June - Present
  Computational Materials Scientist/ Science communicator, Freelance

  Working on various projects related to material science and science communication.

• 2021 June - 2025 May
  Computational Materials Scientist, Computational Materials Design Department at Max Planck Institute for Sustainable Materials

  Researching on simulating high electric field phenomena through first principles

• 2019 Nov - 2021 May
  Research topic head, Institute of Nano Technology at Karlsruhe Institute of Technology

  Lead a team in synthesizing and characterizing functional materials.

• 2018 Oct - 2019 Oct
  Postdoctoral Researcher, Material Physics and Alloy Design Department at Max Planck Institute for Iron Research

  Worked on characterization of Ni based superalloys

• 2015 Oct - 2018 Oct
  Doctoral Fellow, Material Physics and Alloy Design Department at Max Planck Institute for Iron Research

  Doctoral thesis titled " On Chemically sensitive atomic scale imaging"

• 2014 Aug - 2015 Aug
  Lecturer, Metallurgical and Materials Engineering Department at Rajiv Gandhi University of Knowledge Technologies

  Taught undergraduate students. Conducted exams and labs.

Research Projects

Below you can find links to various projects I've worked on, showcasing my research in material science and simulations.

• Analytical Field Ion Microscopy
• Ab Initio simulations of alloy surfaces under electric field
• Functional materials
• Machine learning and Data mining for APT and FIM
• Steels and High Entropy Alloys
• Superalloys
• Fun projects
• Science communication

Latest Publications

• "Understanding atom probe's analytical performance for iron oxides using correlation histograms and ab initio calculations"- New Journal of Physics. Mar 2024. View Publication
• "A machine learning framework for quantifying chemical segregation and microstructural features in atom probe tomography data" - Microsc. Microanal. Sep 2023. View Publication
• "Accurate computation of chemical contrast in field ion microscopy" - Physical Review B June 2023. View Publication
• "Ab initio vacancy formation energies and kinetics at metal surfaces under high electric field" - Physical Review B Jan. 2023. View Publication
• "A new class of cluster-matrix nanocomposite Made of fully miscible components" - Advanced Materials Nov. 2022. View Publication
• "Dislocation exhaustion and ultra-hardening of nanograined metals by phase transformation at grain boundaries" - Nature Communications Sept. 2022. View Publication
• "Energetically deposited cluster assembly of metallic glasses" - Acta Materialia Sept. 2022. View Publication
• "Chemical redistribution and change in crystal lattice parameters during stress relaxation annealing of the AD730TM superalloy" - Acta Materialia Sept. 2022. View Publication
• "Grain boundary segregation induced precipitation in a non equiatomic nanocrystalline CoCuFeMnNi compositionally complex alloy" - Acta Materialia Nov. 2021. View Publication
• "Revealing atomic-scale vacancy-solute interaction in nickel" - Scripta Materialia Oct. 2021. View Publication
• "Three-Dimensional Atomically Resolved Analytical Imaging with a Field Ion Microscope" - Microscopy and Microanalysis Aug. 2021. View Publication

Contact & Profiles