caa a22 4500 463230981 CHVBK 20180405153242.0 cr unu---uuuuu 170326e20070301xx s 000 0 eng 10.1007/s10853-006-1176-3 doi (NATIONALLICENCE)springer-10.1007/s10853-006-1176-3 Dynamics of nanoscale grain-boundary decohesion in aluminum by molecular-dynamics simulation [Elektronische Daten] [V. Yamakov, E. Saether, D. Phillips, E. Glaessgen] The dynamics and energetics of intergranular crack growth along a flat grain boundary in aluminum is studied by a molecular-dynamics simulation model for crack propagation under steady-state conditions. Using the ability of the molecular-dynamics simulation to identify atoms involved in different atomistic mechanisms, it was possible to identify the energy contribution of different processes taking place during crack growth. The energy contributions were divided as: elastic energy—defined as the potential energy of the atoms in fcc crystallographic state; and plastically stored energy—the energy of stacking faults and twin boundaries; grain-boundary and surface energy. In addition, monitoring the amount of heat exchange with the molecular-dynamics thermostat gives the energy dissipated as heat in the system. The energetic analysis indicates that the majority of energy in a fast growing crack is dissipated as heat. This dissipation increases linearly at low speed, and faster than linear at speeds approaching 1/3 the Rayleigh wave speed when the crack tip becomes dynamically unstable producing periodic dislocation bursts until the crack is blunted. Springer Science+Business Media, LLC, 2007 Yamakov V. National Institute of Aerospace, 23666, Hampton, VA, USA aut Saether E. NASA Langley Research Center, 23681, Hampton, VA, USA aut Phillips D. Lockheed Martin Space Operations, 23681, Hampton, VA, USA aut Glaessgen E. NASA Langley Research Center, 23681, Hampton, VA, USA aut Journal of Materials Science Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 42/5(2007-03-01), 1466-1476 0022-2461 42:5<1466 2007 42 10853 https://doi.org/10.1007/s10853-006-1176-3 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10853-006-1176-3 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Yamakov V. National Institute of Aerospace, 23666, Hampton, VA, USA aut NATIONALLICENCE 700 1- Saether E. NASA Langley Research Center, 23681, Hampton, VA, USA aut NATIONALLICENCE 700 1- Phillips D. Lockheed Martin Space Operations, 23681, Hampton, VA, USA aut NATIONALLICENCE 700 1- Glaessgen E. NASA Langley Research Center, 23681, Hampton, VA, USA aut NATIONALLICENCE 773 0- Journal of Materials Science Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 42/5(2007-03-01), 1466-1476 0022-2461 42:5<1466 2007 42 10853 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer