Abstract:
The basic properties of aluminum alloy matrix and common inclusions of Al
2O
3, MgO, AlN, TiB
2, AlB
2, Al
4C
3 in aluminum alloy were studied by means of first principles calculation. The formation heat reveals that Al
2O
3 is the easiest to form, while MgO and AlB
2 are the most difficult to form. The absolute value of binding energy of Al
2O
3, AlN and TiB
2 are slightly larger than others, which suggests that TiB
2 is the most stable particle while AlB
2 is the most unstable one. TiB
2 holds the highest shear modulus, bulk modulus, Young's modulus and hardness. The hardness of Al
4C
3 is the closest one to aluminum alloy matrix, which indicates that TiB
2 has the largest impact on the strength, stiffness and processing performance of aluminum alloy. The anisotropy factor of AlN particles is the largest, and its influence on that of aluminum alloy is also the largest, then followed by AlB
2. The influence of Al
2O
3 and TiB
2 particles on the anisotropy of aluminum alloy is small. The impact of TiB
2 on the toughness of aluminum alloy is the greatest, followed by AlN, and Al
4C
3 is the smallest. The relative Fermi difference between Al
2O
3 and aluminum matrix is the largest, i.e. 1.4eV. AlB
2 particle is the smallest. The influence of the studied inclusions on corrosion properties of materials is in the order of Al
2O
3>MgO>TiB
2>Al
4C
3>AlN>AlB
2.