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In materials science, a dislocation or Taylor's dislocation is a linear crystallographic defect or irregularity within a crystal structure that contains an abrupt change in the arrangement of atoms. The movement of dislocations allow atoms to slide over each other at low stress levels and is known as glide or slip. The crystalline order is restored on either side of a glide dislocation but the atoms on one side have moved by one position. The crystalline order is not fully restored with a partial dislocation.
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games.
We report the experimental observation of the 1/2 < 111 > edge dislocation dipole formation and annihilation in ultra-high purity Fe using transmission electron microscopy (TEM) in-situ straining. The
Molecular dynamics simulation is used to study the formation of the a(0) < 1 0 0 > binary dislocation junction in body-centered cubic Fe. Results show that under an applied strain two intersecting 1/2
Pergamon-Elsevier Science Ltd2014
In this study, we report our observation of the interaction between a moving dislocation and an obstacle of dislocation character in pure bcc-Fe using a TEM in situ straining experiment at room temper