13th International Conference on Fracture June 16–21, 2013, Beijing, China -4- Figure 4. The flow chart of the ANSYS simulation Figure 4 shows the flow chart of the ANSYS simulation. Based on the values computed in the thermal and structural thermal simulations, the thermal and strain energy are calculated using Equation (1) and (2) respectively [20], E N k TB th 2 3 = × (1) { } { } { } { } e pl T e el T pl e el e str vol vol E E E ε σ ε σ + Δ = + = 2 1 (2) where N is the number of the atoms, T is the location temperature, kB is the Boltzmann’s constant, el eE and pl eE are the elastic and plastic strain energy respectively,{ }σis the stress vector,{ } el ε is the elastic strain vector, { } pl εΔ is the plastic strain increment, and e vol is the volume of the atom. Depending on the position of the atom and the types of its neighboring atoms, the bonding energy are classified as the following categories in our simulation, as shown in Figure 5. Figure 5. Different types of bonding energies used in the simulation in 2D view (1) Inside the grain: - Type 1: bonding energy between the Al atoms Applied temperature & Boundary conditions Applied force & Boundary conditions Thermal Simulation Structural-Thermal Simulation Void Nucleation Simulation Nodal Temperature Thermal Energy Strain Energy Surface Energy Bonding Energy
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