Browsing by Author "cea53c17-0bca-45f8-b2e2-4a6bd4819f5e"

Now showing items 1-4 of 4

    • Growth of ni nanoclusters on irradiated graphene: a molecular dynamics study 
      Valencia, F.; Hernández-Vázquez, E. E.; Bringa, E. M.; Morán López, J. L.; Rogan Castillo, José; González, R. I.; Muñoz, F. (The Royal Society of Chemistry, 2018-06-28)
      We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big ...
    • Molecular dynamics simulation of polymerlike thin films irradiated by fast ions: A comparison between FENE ... 
      Lima, N. W.; Gutierres, L. S.; González, R. I.; Mueller, S.; Thomaz, R. S.; Bringa, E. M.; Papaleo, R. M. (Amer Physical Soc, 2016)
      In this paper, the surface effects of individual heavy ions impacting thin polymerlike films were investigated, using molecular dynamics simulations with the finite extensible nonlinear elastic (FENE) potential to describe ...
    • Molecular simulations of carbon allotropes in processes with creation and destruction of chemical bonds 
      Tangarife, E.; Gonzalez, R. I.; Cardenas, C.; Bringa, E. M.; Munoz, F. (Elsevier Ltd, 2019)
      © 2018 Elsevier LtdThe development of sophisticated interatomic potentials for classical molecular dynamics and Monte Carlo simulations has several advantages, but also some drawbacks. One of them is the increase in their ...
    • Polycrystalline Ni nanotubes under compression: a molecular dynamics study 
      Rojas Núñez, J.; Baltazar, S. E.; González, R. I.; Bringa, E. M.; Allende, S.; Kiwi, M.; Valencia, F. J. (Nature, 2020)
      Mechanical properties of nanomaterials, such as nanowires and nanotubes, are an important feature for the design of novel electromechanical nano-architectures. Since grain boundary structures and surface modifications can ...