Numerical Study and Experimental Validation of Deformation of <111> FCC CuAl Single Crystal Obtained by Additive Manufacturing

Abstract

The importance of taking into account directional solidification of grains formed during 3D printing is determined by a substantial influence of their crystallographic orientation on the mechanical properties of a loaded material. This issue is studied in the present study using molecular dynamics simulations. The compression of an FCC single crystal of aluminum bronze was performed along the &lt;111&gt; axis. A Ni single crystal, which is characterized by higher stacking fault energy (SFE) than aluminum bronze, was also considered. It was found that the first dislocations started to move earlier in the material with lower SFE, in which the slip of two Shockley partials was observed. In the case of the material with higher SFE, the slip of a full dislocation occurred via successive splitting of its segments into partial dislocations. Regardless of the SFE value, the deformation was primarily occurred by means of the formation of dislocation complexes involved stair-rod dislocations and partial dislocations on adjacent slip planes. Hardening and softening segments of the calculated stress–strain curve were shown to correspond to the periods of hindering of dislocations at dislocation pileups and dislocation movement between them. The simulation results well agree with the experimental findings.

Growth and Deformation Simulation of Aluminum Bronze Grains Produced by Electron Beam Additive Manufacturing

“…Slip band patterns, mobile and sedentary configurations depend on the crystal's orientation and their shape. Some of them were traced on FCC metals [32,33] and aluminum bronze with the deformation axis orientation [111] [33].…”

“…Previously, the authors in their works [32,33] simulated uniaxial compression along <001> and <111> for FCC single crystals of materials using in AM, which showed the effect of stacking fault energy on their deformation behavior. Simulation also made it possible to identify the role of different types of dislocations in hardening and deformation.…”

The Contribution of Various Plasticity Mechanisms to the Deformation Behavior of Gradient Nanograined FeNi Alloy

“…One of the most effective approaches to studying gradient materials is atomistic simulation. It provides detailed information on the generation and evolution of structural defects in single crystal and nanocrystalline metals and alloys [21][22][23][24][25]. For example, a molecular dynamics simulation of nanocrystalline copper showed that the strength of gradient samples correlates with the average grain size and obeys the direct and inverse Hall-Petch relation [26].…”