Theoretical Analysis of Stacking Fault Energy, Elastic Properties, Electronic Properties, and Work Function of MnCoCrFeNi High-Entropy Alloy.

The effects of different Mn concentrations on the generalized stacking fault energies (GSFE) and elastic properties of MnCoCrFeNi high-entropy alloys (HEAs) have been studied via first-principles, which are based on density functional theory. The relationship of different Mn concentrations with the chemical bond and surface activity of MnCoCrFeNi HEAs are discussed from the perspectives of electronic structure and work function. The results show that the plastic deformation of MnCoCrFeNi HEAs can be controlled via dislocation-mediated slip.

Microstructure analysis, tribological correlation properties and strengthening mechanism of graphene reinforced aluminum matrix composites.

In this paper, graphene reinforced aluminum matrix composites are successfully prepared by high-energy ball milling. The results show that no graphene agglomeration is found in the mixed powder. The complex composites prepared by high energy ball milling and powder metallurgy have approximately 4-5 layers of graphene and the thickness of single-layer graphene is approximately 0.

Effects of B on the Structure and Properties of Lead-Tin Bronze Alloy and the Mechanism of Strengthening and Toughening.

High lead-tin bronze is widely used in the selection of wear-resistant parts such as bearings, bearing bushes, aerospace pump rotors, turbines, and guide plates because of its excellent wear resistance, thermal conductivity, fatigue resistance, and strong load-bearing capacity. At present, high lead-tin bronze is used as a material for bimetal cylinders, which cannot meet the requirements of high-strength, anti-wear in actual working conditions under high temperature, high speed, and heavy load conditions, and is prone to de-cylinder, cylinder holding, copper sticking, etc. The reason for the failure of cylinder body parts is that the strength of copper alloy materials is insufficient, the proportion of lead in the structure is serious, and the wear resistance of the material is reduced.

Exploration of D0-Type AlTM(TM = Sc, Ti, V, Zr, Nb, Hf, Ta): Elastic Anisotropy, Electronic Structures, Work Function and Experimental Design.

The structural properties, elastic anisotropy, electronic structures and work function of D0-type AlTM (TM = Sc, Ti, V, Y, Zr, Nb, La, Hf, Ta) are studied using the first-principles calculations. The results indicate that the obtained formation enthalpy and cohesive energy of these compounds are in accordance with the other calculated values. It is found that the AlZr is the most thermodynamic stable compound.

Pressure effect of the mechanical, electronics and thermodynamic properties of Mg-B compounds A first-principles investigations.

First principle calculations were performed to investigate the structural, mechanical, electronic properties, and thermodynamic properties of three binary Mg-B compounds under pressure, by using the first principle method. The results implied that the structural parameters and the mechanical properties of the Mg-B compounds without pressure are well matched with the obtainable theoretically simulated values and experimental data. The obtained pressure-volume and energy-volume revealed that the three Mg-B compounds were mechanically stable, and the volume variation decreases with an increase in the boron content.