Abstract
The mechanical properties of high-entropy alloys are superior to those of traditional alloys. However, the key problem of finding a strengthening mechanism is still challenging. In this work, the molecular dynamics method is used to calculate the tensile properties of face-centered cubic Al0.1CoCrFeNi high-entropy alloys containing Σ3 grain boundaries and without grain boundary. The atomic model was established by the melting rapid cooling method, then stretched by the static drawing method. The common neighbor analysis and dislocation extraction algorithm are used to analyze the crystal evolution mechanism of Σ3 grain boundaries to improve the material properties of high-entropy alloys during the tensile test. The results show that compared with the mechanical properties Al0.1CoCrFeNi high-entropy alloys without grain boundary, the yield strength and Young’s modulus of a high-entropy alloy containing Σ3 grain boundary are obviously larger than that of high-entropy alloys without grain boundary. Dislocation type includes mainly 1/6<112> Shockley partial dislocations, a small account of 1/6<110> Stair-rod, 1/2<110>perfect dislocation, and 1/3<111> Hirth dislocations. The mechanical properties of high-entropy alloys are improved by dislocation entanglement and accumulation near the grain boundary.
Highlights
With the rapid development of industry, traditional materials no longer satisfy higher requirements
Thota et al [11] observed Σ3, Σ9, and Σ27 grain boundaries when they researched the microstructure of asrecrystallized specimens in CoCrFeMnNi high-entropy alloys (HEAs)
Chen et al [12] explains that in FCC alloys, special boundaries were mainly composed of Σ3ns boundaries for CoCrFeMnNi HEAs
Summary
With the rapid development of industry, traditional materials no longer satisfy higher requirements. HEAs are mixed entropy alloys composed of five or more kinds of elements according to the proportion of equimolar or near equimolar atoms [6]. It generally forms a stable single-phase solid solution, which may be face-centered cubic crystal structure (fcc), body-centered cubic crystal structure (bcc), hexagonal close-packed structure (hcp), or an alloy of two phases [7,8], sometimes nano-phase or even amorphous phase of a class of alloys. Al0.1CoCrFeNi HEAs with Σ3 grain boundary are studied as a subject
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