• D. Thürmer, S. Zhao, O. R. Deluigi, C. Stan, I. A. Alhafez, H. M. Urbassek, M. A. Meyers, E. M.Bringa, N. Gunkelmann. Exceptionally high spallation strength for a high-entropy alloy demonstrated by experiments and simulations. J. Alloys Compd. 895:162567, 2022.
  • D. Thürmer, N. Gunkelmann. Shock-induced spallation in a nanocrystalline high-entropy alloy: An atomistic study. J. Appl. Phys. 131:065902, 2022.
  • H.-T. Luu, S. Raumel, F. Dencker, M. Wurz und N. Merkert. Nanoindentation in alumina coated Al: Molecular dynamics simulations and experiments. Surf. Coat. Tech. 437:128342, 2022
  • S. Homann, H.-T. Luu und N. Merkert. Molecular dynamics simulations of the machining of oxidized and deoxidized titanium work pieces. Results Surf. Interfaces 9:100085, 2022


  • H. Song, N. Gunkelmann, G. Po und S. Sandfeld. Data-mining of dislocation microstructures: concepts for coarse-graining of internal energies. MSMSE 29:035005, 2021
  • H.-T. Luu, S.-L. Dang, T.-V. Hoang und N. Gunkelmann. Molecular dynamics simulation of nanoindentation in Al and Fe: On the influence of system characteristics. Appl. Surf. Science 551:149221, 2021.
  • A. Plack, M. Bierwirth, A.P. Weber und N. Gunkelmann. Experimental and atomistic study of high speed collisions of gold nanoparticles with a gold substrate: Validation of interatomic potentials. J. Aerosol Sci. 159:105846, 2021.


  • Y. Rosandi, H.-T. Luu, H. M. Urbassek und N. Gunkelmann. Molecular Dynamics Simulations of the Mechanical Behavior of Alumina Coated Aluminum Nanowires under Tension and Compression. RSC Advances, 10: 1435, 2020.
  • N. Gunkelmann und M. Merkert. Improved energy minimization of iron carbon systems: On the influence of positioning interstitial atoms. MSMSE 28(4):045005, 2020.
  • H.-J. Stromberg, N. Gunkelmann und A. Lohrengel. A Novel Approach to Multiscale MD/FE Simulations of Frictional Contacts. In: Simulation Science, Second International Workshop, SimScience 2019: Communications in Computer and Information Science (CCIS), 1199: 153. Springer, Cham, 2020.
  • H.-T. Luu, R. J. Ravelo, M. Rudolph, E. M. Bringa, T. C. Germann, D. Rafaja und N. Gunkelmann. Shock-induced plasticity in nanocrystalline iron: Large-scale molecular dynamics simulations. Phys. Rev. B 102:020102(R), 2020.
  • K. C. Le, S. L. Dang, H.-T. Luu und N. Gunkelmann. Thermodynamic dislocation theory: Application to bcc-crystals. MSMSE 29(1): 015003, 2020


  • P. Umstätter, N. Gunkelmann, C. P. Dullemond und H. M. Urbassek. Shedding of dust rims in chondrule collisions in the protoplanetary disk. MNRAS, 483:4398, 2019.
  • N. Gunkelmann, D. Serero, A. Glielmo, M. Montaine, M. Heckel und T. Pöschel. Stochastic Nature of Particle Collisions and its Impact on Granular Material Properties. In Particles in Contact - Micro Mechanics, Micro Process Dynamics and Particle Collective. Ed: S. Antonyuk, Springer International Publishing, 2019
  • H.-T. Luu und N. Gunkelmann. Pressure-induced phase transformations in Fe-C: Molecular dynamics approach. Comput. Mater. Sci., 162:295, 2019.
  • F. Lançon, N. Gunkelmann, D. Caliste und J.-L. Rouvière. Incommensurate grain boundary in silicon and the silver-ratio sequence. Phys. Rev. B. 100:115307, 2019.
  • H.-T. Luu, R. G. A. Veiga und N. Gunkelmann. Atomistic Study of the Role of Defects on α →ε Phase Transformations in Iron under Hydrostatic Compression. Metals 9(10):1040, 2019.


  • N. Gunkelmann, E. M. Bringa und Y. Rosandi. Molecular Dynamics Simulations of Aluminium Foams under Tension: Influence of Oxidation. J. Phys. Chem. C, 122:26243, 2018.


  • N. Gunkelmann, A. Kataoka, C. P. Dullemond und H. M. Urbassek. Low-velocity collisions of chondrules: How a thin dust cover helps enhance the sticking probability. Astron. Astrophys., 599:L4, 2017.
  • N. Gunkelmann, I. A. Alhafez, D. Steinberger, H. M. Urbassek und S. Sandfeld. Nanoscratching of iron: A novel approach to characterize dislocation microstructures. Comput. Mater. Sci., 135:181, 2017.