Hardening mechanism of twin boundaries during nanoindentation of soft-brittle CdTe crystals

Deformation and crack mechanisms of nanotwinned cadmium telluride under cyclic nanoindentations

“…Correspondingly, the nt 5.6-17.9-7.8-5.6 model is 31.6 nm long, 13.4 nm wide and 36.9 nm high, and includes 475,200 atoms. For comparison [11], a monocrystalline (mc) model of CT with both the same dimensions and http://dx. …”

“…At the bottom, an atomic layer 2 nm thick is fixed for each model. Prior to nanoindentation, each model experiences an isothermalisobaric (NPT) relaxation for 100 ps at 300 K [11]. A time step of 1 fs is used in all the MD simulations.…”

“…CT is a face-centered cubic (fcc) crystal, whose slip orientations are along the {1 1 1} planes [10,11]. This is shown in Figures 2-4.…”

In-plane anisotropy and twin boundary effects in vanadium nitride under nanoindentation

“…On the other hand, etched W wire 22 or wedge indenter 2 was often used to perform nanoindentations, which can be equivalent to a two-dimensional (2D) cylindrical indenter. Therefore, 2D cylindrical indenters were usually used in MD nanoindentation simulations to investigate the mechanical responses 23 – 27 . However, the in-plane anisotropy and the corresponding deformation mechanisms may exist under nanoindentation if a cylindrical indenter is used, because the (111) surface has a three-fold rotation symmetry about its normal direction.…”

Te homogeneous precipitation in Ge dislocation loop vicinity

“…46 The SW potential was already used to simulate Te interatomic interactions. [47][48][49][50] However, it was parametrized based on the Si parameters only for the diamond lattice, aiming to match the energy and lattice constant of a given compound such as CdTe in the zinc-blende structure, and a fictitious pure Te in the diamond structure. We propose a different set of parameters given in Table I, based on the Ge SW parameters from Yu et al 46,51 As the rigid lattice of the Ge matrix has a cubic symmetry, the SW Te-Te potential was parametrized to stabilise pure Te in the fcc structure, instead of the real hexagonal structure, with a lattice parameter a equal to the two identical lattice parameters a and b (¼0.44572 nm) of the hexagonal structure, and to match the Te cohesive energy E coh ¼ À2.23 eV at À1 and the Te bulk modulus B ¼ 65 GPa.…”