Metal-doped CdTe has become a heated topic in recent years due to its ultrafast nonlinear
optical properties. Herein, Ag-CdTe thin films with different doping amount (1W, 3W and 5W) …

Molecular dynamics simulations are conducted on the dislocation behavior at the apices
and edges of cuboidal Ni3Al precipitate in a pure Ni matrix, or the idealized γ/γ …

This book systematically provides recent understanding of unusual fracture behaviors in
nano/atomic elements (nanofilms, nanowires, etc.) and focuses on the critical initiation and …

By means of lattice and molecular dynamics we study the theoretical strength of
homogeneously strained, defect-free 2D crystals whose atoms interact via pair potentials …

The elastic limit of a crystal can be evaluated by the positiveness of elastic stiffness
coefficients, B ijkl. We had demonstrated that the nucleation of lattice defects such as …

To elucidate the mechanism responsible for structural instability at the atomic level, atomistic
modeling simulation of tension in a Cu thin film containing a notch was performed using an …

We performed molecular dynamics simulations on the [0 0 1](0 1 0),[0 0 1](1 1 0) and [1¯ 1¯
2](1 1 1) mode I through cracks in Si, and discussed the unstable crack propagation based …

In order to clarify the physical meaning of the eigenvector of the atomic elastic stiffness
matrix, B ija= Δ σ ia/Δ ε j⁠, static calculations of uniaxial tension are performed on various …

Deformation of a crystal structure is considered here in terms of constitutive modelling based
upon both the atomistic and continuum approaches. Atomistic calculations are made by …

Atomistic simulations of an accelerating edge dislocation were carried out to study drag and
inertial effects. Using an embedded atom potential for nickel the Peierls stress, the effective …