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Home » Institute » Departments & Research Groups » Atomistic Modelling and Simulation » Atomistic Simulation of Mechanical Behaviour » ASMB Publications

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  • T. Pradhan. Comparison of various interatomic potentials for point-defect migration in transition metals. (2017)
  • A. Mishra. First principles calculations on field evaporation from metal surfaces. (2017)
  • A. Izardar. Investigation of self-diffusion in Mo using classical molecular dynamics simulations. (2017)
  • Q. Zheng, A. B. Mei, M. Tuteja et al. Phonon and electron contributions to the thermal conductivity of VNχ epitaxial layers. Physical Review Materials, 1, 065002, (2017)
  • D. Gambino, D. Sangiovanni, B. Alling et al. Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN. Physical Review B, 96, 104306, (2017)
  • Y. Lin, M. Mrovec, V. Vitek. Development of bond-order potentials for bcc transition metals. Solid State Phenomena, 258, 3-10, (2017)
  • D. Edström, D. Sangiovanni, L. Hultman et al. Effects of incident N atom kinetic energy on TiN/TiN(001) film growth dynamics: A molecular dynamics investigation. Journal of Applied Physics, 121, 025302, (2017)
  • M. Mikula, M. Truchlý, D. Sangiovanni et al. Experimental and computational studies on toughness enhancement in Ti-Al-Ta-N quaternaries. Journal of Vacuum Science & Technology A, 35, 060602, (2017)
  • M. Mikula, D. Sangiovanni, D. Plašienka et al. Thermally induced age hardening in tough Ta-Al-N coatings via spinodal decomposition. Journal of Applied Physics, 121, 155304, (2017)
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