Dr.-Ing. Arun Prakash

Dr.-Ing. Arun Prakash

Dr.-Ing. Arun Prakash


Institute of Mechanics and Fluid Dynamics
Lampadiusstraße 4
09599 Freiberg
Julius-Weisbach-Bau, Room 127a

Telephone +49 3731 39-3576
Arun [dot] Prakashatimfd [dot] tu-freiberg [dot] de

Scientific career

Since 2018Senior scientist at the Chair of Micromechanical Materials Modelling, TU Bergakademie Freiberg
2011 - 2018Senior scientist at the Simulation group (Simgroup) of Institute I (Allgemeine Werkstoff Eigenschaften, WW1), Department of Materials Science and Engineering, Friedrich Alexander Universität Erlangen-Nürnberg (FAU)
2011 - 2017Member of the Executive Committee and the Selection Committee of the International Master's Program "Advanced Materials and Processes" (MAP)
 2010 - 2011 Post-doctoral Fellow at the Fraunhofer Institute for Mechanics of Materials IWM, Freiburg, Germany
 2009 - 2010 Doctoral degree from the Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany

Thesis title: Computational Micromechanics of Polycrystals: Special Emphasis of Twinning and Recrystallization in Mg Alloys and Twip steels;
Thesis advisor: Prof. Dr. Hermann Riedel; Thesis co-advisor: Prof. Dr. Peter Gumbsch

 2005 - 2009Research Associate at the Fraunhofer Institute for Mechanics of Materials IWM, Freiburg, Germany
 2003 - 2005Master's degree in "Computational Mechanics in Materials and Structures" from the University of Stuttgart, Germany 
 2002 - 2003Programmer Analyst at Cognizant Technology Solutions India Pvt. Ltd., Bangalore, India 
 1997 - 2001Bachelor's degree in Mechanical Engineering from B.M.S. College of Engineering, Bangalore University, India 

Research Topics

  • Multiscale material modelling using finite elements and atomistics
  • Nanomechanics / small scale plasticity / Nanomaterials
  • Finite element material modelling
  • Ultra large scale atomistic simulations
  • Experimentally informed simulations


2017Best Poster award at the International CAE conference "Simulation: The Soul of Industry 4.0", Vicenza, Italy.
 Title of the Poster: A multiscale simulation framework of the accumulative roll bonding process accounting for texture evolution
2016Teaching award for the course "Übungen zu Computational Nanoscience" from the Faculty of Engineering, FAU Erlangen-Nürnberg
2010Werkstoffmechanik Prize of the Plansee Group, 2nd place
2009Best paper award of the Journal "Steel Research International"
2003Employee appreciation award from Cognizant Technology Solutions India Pvt Ltd.


Since 2017Life member of the Institution of Engineers (IEI), India
Since 2017Member of the Materials Research Society (MRS), India
Since 2016Member of the German Society for Materials Science e.V. (DGM), Germany
Since 2015Member of the German Association of University Professors and Lecturers (DHV), Germany
Since 2009Member of the German Society of Engineers (VDI), Germany

Selected Publications

  • S. Roy, A. Prakash, S. Sandfeld [2022]
    Sintering of alumina nanoparticles: comparison of interatomic potentials, molecular dynamics simulations, and data analysis
    Modelling and Simulation in Materials Science and Engineering, Volume 30, Number 6
    DOI: 10.1088/1361-651X/ac8172    BibTeX

  • M. Vimal, S. Sandfeld, A. Prakash [2022]
    Grain segmentation in atomistic simulations using orientation-based iterative self organizing data analysis 
    Materialia, Volume 21, 101314
    DOI: 10.1016/j.mtla.2022.101314      BibTeX

  • D. Bayer-Buhr, M. Vimal, A. Prakash, U.Gross, T. Fieback [2021]
    Determination of thermal accommodation coefficients on CaSiO3 and SiO2 using molecular dynamics and experiments 
    International Journal of Heat and Mass Transfer, Volume 183, 122219 
    DOI: 10.1016/j.ijheatmasstransfer.2021.122219     BibTeX

  • B. Diepold, C. Schunk, F. Kümmel, T. Fey, A. Prakash, H.W. Höppel, M. Göken [2021]
    Fatigue Life Optimized Layer Architecture of Ultrafine-Graines Al-Ti Laminates Under Bending Stresses
    Advanced Engineering Materials, 2101143 
    DOI: 10.1002/adem.202101143      BibTeX

  • P. H. Serrao, S. Sandfeld, A. Prakash [2021]
    OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations
    SoftwareX, Volume 15, 100708
    DOI: 10.1016/j.softx.2021.100708    BibTeX

  • S. Lee, A. Vaid, J. Im, B. Kim, A. Prakash, J Guénolé, D. Kiener, E. Bitzek, S.H. Oh [2020]
    In-situ observation of the initiation of plasticity by nucleation of prismatic dislocation loops
    Nature Communications, 11, 2367
    DOI: 10.1038/s41467-020-15775-y    BibTeX

  • J. Guénolé, W. G. Nöhring, A. Vaid, F. Houllé, Z. Xie, A. Prakash, E. Bitzek [2020]
    Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in Lammps
    Computational Materials Science, Volume 175, 109584
    DOI: 10.1016/j.commatsci.2020.109584     BibTeX

  • Z. Xie, J. Shin, J. Renner, A. Prakash, D. S. Gianola, E. Bitzek [2020]
    Origins of strengthening and failure in twinned Au nanowires: Insights from in−situ experiments and atomistic simulations
    Acta Materialia, Volume 187, pp. 166-175
    DOI: 10.1016/j.actamat.2020.01.038    BibTeX

  • A. Vaid, J. Guénolé, A. Prakash, S. Korte-Kerzel, E. Bitzek [2019]
    Atomistic simulations of basal dislocations in Mg interacting with Mg17Al12 precipitates
    Materialia, 7, pp. 100355
    DOI: 10.1016/j.mtla.2019.100355    BibTeX

  • K. Frydrych, K. Kowalczyk-Gajewska, A. Prakash [2019]
    On solution mapping and remeshing in crystal plasticity finite element simulations: application to equal channel angular pressing 
    Modelling and Simulation in Materials Science and Engineering, 27(7), pp. 075001
    DOI: 10.1088%2F1361-651x%2Fab28e3     BibTeX

  • A. Prakash, S. Sandfeld [2018]
    Chances and Challenges in fusing data science with materials science
    Practical Metallography, 55(8), pp. 493-514
    DOI: 10.3139/147.110539   BibTeX

  • S. Sandfeld, T. Dahmen, F.O.R. Fischer, C. Eberl, S. Klein, M. Selzer, B. Nestler, J. Möller, F. Mücklich, M. Engstler, S. Diebels, R. Tschuncky, A. Prakash, . Steinberger, C. Kübel, H.-G. Herrmann, R. Schubotz [2018]
    Strategiepapier: "Digitale Transformation in der Materialwissenschaft und Werkstofftechnik"
    DGM - Deutsche Gesellschaft für Materialkunde e.V.

  • A. Prakash, D. Weygand, E. Bitzek [2017]
    Influence of grain boundary topology and structure on the deformation behavior of nanocrystalline aluminum
    International Journal of Plasticity, 97, 107 - 125
    DOI: 10.1016/j.ijplas.2017.05.011    BibTeX

  • A. Prakash, E. Bitzek [2017]
    Idealized vs. realistic microstructures: Influence of eigenstresses on the activity of dislocation loops in γ/γ’ microstructures
    Materials, 10, 88
    DOI: 10.3390/ma10010088    BibTeX

  • A. Prakash, M. Hummel, S. Schmauder, E. Bitzek [2016]
    NanoSCULPT: A methodology for generating complex realistic structures for atomistic simulations
    MehodsX, 3, 219-230
    DOI: 10.1016/j.mex.2016.03.002    BibTeX

  • A. Prakash, J. Guénolé, J. Wang, J. Müller, E. Spiecker, M.J. Mills, I. Povstugar, P. Choi, D. Raabe, E. Bitzek [2015]
    Atom probe informed simulations reveal the importance of local interface curvature
    Acta Materialia 92, 33-45
    DOI: 10.1016/j.actamat.2015.03.050    BibTeX

  • A. Korsunsky, J. Guénolé, E. Salvati, T. Sui, M. Mousavi, A. Prakash, E. Bitzek [2016]
    Quantifying eigenstrain distributions induced by focused ion beam damage silicon
    Materials Letters, 185, 47-49
    DOI: 10.1016/j.matlet.2016.08.111   BibTeX

  • A. Prakash, W. Nöhring, R.A. Lebensohn, H.W. Höppel, E. Bitzek [2015]
    A multiscale simulation framework of the accumulative roll bonding process accounting for texture evolution
    Materials Science & Engineering A, 631, 104-119
    DOI: 10.1016/j.msea.2015.02.005    BibTeX

Complete list of publications:

Open Source Software

Dr. Prakash a co-author of multiple software packages that are now made available open-source to the scientific community. Only a brief overview is provided here.

  • nanoSCULPT
    nanoSCULPT refers to a methodology and software tool to create complex and realistic structures for large scale atomistic simulations from arbitrarily shaped 3D datasets. Please visit the nanoSCULPT wiki for more details on the tool.
  • FE2AT
    FE2AT stands for Finite Elements 2 ATomistics and is essentially used to perform finite element informed atomistic simulations, i.e finite element calculations are used to provide appropriate initial and boundary conditions for atomistic simulations. Please visit the FE2AT wiki for more details on the tool.
  • IdentiPy and Parldent-VPSC
    IdentiPy is a software tool that enables the identification of material parameters for finite element simulations with Abaqus. A variant called Parident-VPSC (PARameter IDENTification for VPSC) has also been programmed for identifying Voce-hardening parameters for simulations with the standalone Visco-Plastic Self-Consistent model. Both IdentiPy and Parident-VPSC are open source and made available upon request.