The structural properties, elastic anisotropy, electronic structures and work function of D0₂₂-type Al₃TM (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 Al₃Zr is the most thermodynamic stable compound. The mechanical property indexes, such as elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and Vickers hardness are systematically explored. Moreover, the calculated universal anisotropic index, percent anisotropy and shear anisotropic factors of D0₂₂-type Al₃TM are analyzed carefully. It demonstrates that the shear modulus anisotropy of Al₃La is the strongest, while that of Al₃Ta is the weakest. In particular, the density of states at Fermi level is not zero, suggesting that these phases have metal properties and electrical conductivity. More importantly, the mechanisms of correlation between hardness and Young’s modulus are further explained by the work function. Finally, the experimental design proves that D0₂₂-Al₃Ta has an excellent strengthening effect.

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. Therefore, it has important theoretical significance and application value to carry out research on the comprehensive properties of high-performance lead–tin bronze materials and reveal the strengthening and toughening mechanism. In this paper, The ZCuPb20Sn5 alloy is taken as the main research object, and the particle size, microstructure, mechanical properties, and friction of lead particles in ZCuPb20Sn5 alloy are systematically studied after single addition of B in ZCuPb20Sn5 alloy liquid. This paper takes ZCuPb20Sn5 alloy as the research object to study the effect of adding B on the morphology, microstructure, mechanical properties, and friction and wear properties of ZCuPb20Sn5 alloy lead particles, and discusses the strengthening and toughening mechanism of ZCuPb20Sn5 alloy under the action of B, and prepares a double high-performance lead–tin bronze alloy for metal cylinders. The main research results are as follows: The addition of B elements has an obvious refining effect on the α (Cu) equiaxed grains and lead particles in ZCuPb20Sn5 alloy. The average size of lead particles decreases from 30.0 µm to 24.8 µm as the B content increases from 0 wt.% to 0.1 wt.%. The reason for grain refinement is that B is easily concentrated at the grain boundary during the ZCuPb20Sn5 alloy solidification process, which affects the diffusion of solute atoms at the solidification interface, inhibits the grain growth, refines the grain, and hinders the sinking and homogenizes distribution between dendrites of lead; the tensile strength of the ZCuPb20Sn5 alloy improves. Relatively without B, when the addition of P is 0.1 wt.%, the tensile strength is the largest at 244.04 MPa, which enhances 13%; the maximum hardness gets 75.0 HB, which enhances 13.6%, as well as elongation get the maximum value at 17.2%. The main mechanism is that the addition of B forms a high melting point submicron Ni₄B₃ phase in the lead–tin bronze alloy. The Ni₄B₃ phase is dispersed in the matrix and strengthens the matrix. With the increase in B content (more than 0.1 wt.%), the Ni₄B₃ phase changes from sub-micron degree granular to micron degree block-like, and some defects such as shrinkage and porosity appear in the structure, resulting in a decrease in mechanical properties.

The effects of Al–Ti–C and La on the fluidity of a ZL205A alloy after separate and combined addition were studied by conducting a fluidity test. The fluidity of the ZL205A alloy first increased and then decreased with the increasing addition of Al–Ti–C and La; it peaked at 0.3% and 0.1% for Al–Ti–C and La, respectively. The combined addition of Al–Ti–C and La led to better fluidity, which increased by 74% compared with the base alloy. The affecting mechanism was clarified through microstructure characterization and a DSC test. The heterogeneous nucleation aided by Al–Ti–C and La, the number of particles in the melt, and the evolution of the solidification range all played a role. Based on the evolution of the fluidity and grain size, the optimal levels of Al–Ti–C and La leading to both high fluidity and small grain size were identified.

The influence of the sub-nano Ni₃P and Cu₃P phases on the microstructure, mechanical properties, and strengthening mechanism of Cu–20Pb–5Sn-xP (x = 0,0.05,0.1,0.3,0.5) alloy were discussed under the addition of P to obtain a new Pb–Sn bronze alloy applying for bimetallic cylinder block. The results showed that the tensile strength and hardness of the Pb–Sn bronze alloy increase with the P contents, while the elongation increased first and then decreased. The main strengthen mechanism was that sub-nano Ni₃P and Cu₃P phases dispersed in the matrix, hindering the movement of dislocations during deformation. Additionally, the grain refinement also contributed to the improvement of mechanical properties. The Ni₃P phase is easier to form than the Cu₃P phase. And it is easier to combine with the matrix and more stable. The Ni₃P and Cu₃P phases were studied by using different characterization techniques, such as OM, SEM, EDS, XRD, TEM and First-principles, Phase diagram calculation method. When P is added to the alloy, the Ni₃P phase first appears in the alloy, and when the P content increases to more than 0.3 wt%, the Cu₃P phase begins to appear. This is because the Ni₃P phase is easier to form than the Cu₃P phase and is more stable. Only after part of P reacts with Ni dissolved in copper to form Ni₃P, the remaining P and Cu can form Cu₃P.

We studied the effects of adding Y on the microstructure, mechanical properties and wear properties of ZCuSn10Pb10, and clarified the underlying mechanism by microstructure characterization through SEM, EDS and XRD. No new phase was detected after the addition of Y up to 0.2 wt.%, but an enrichment of Y in the Pb phase was found. The Pb particles were refined significantly after the addition of Y, which resulted from the compositional undercooling for the Cu dendrite where the Pb particles solidified, and the highest refinement efficiency was reached when the content of Y was 0.15 wt.%. The hardness of the alloy was improved due to the refinement of the microstructure. The fine Pb particles between the dendrite branches acted as solid lubricant, which was smeared on the entire surface during a friction and wear experiment, thus increasing wear resistance and reducing the coefficient of friction.

Tin-based Babbitt alloys are a widely used bearing bushing material which have good comprehensive properties. However, problems such as high-temperature softening and insufficient bearing capacity occur during their use, so the optimization of tin-based Babbitt alloys has become a research hotspot. In this paper, ZChSnSb11-6 alloy was mainly prepared by the gravity casting method, and different amounts of Zn were added to the alloy (the mass fraction values were 0 wt.%, 0.05 wt.%, 0.1 wt.%, 0.15 wt.%, and 0.2 wt.%, respectively). Through the hardness test, the tensile test, the friction and wear test, and the microstructure observation of the prepared alloy, the influence of Zn on the organization and properties of the ZChSnSb11-6 alloy was analyzed. The results show that the size of the SnSb hard phase changed with the increasing content of Zn. The size of the hard phase of the SnSb tended to increase first and then decrease, and the number of phase particles increased first and then decreased, resulting in changes in performance. Through comparison, it was learned that the addition of Zn can effectively improve the hardness, tensile strength, yield strength, and wear resistance of the alloy, but the elongation rate was reduced. When the Zn content was 0.1 wt.%, the hardness value of the alloy reached the maximum value, 25.82 HB, which increased by 7.3% when compared with the sample without Zn. The hardness of the Zn, 0.15 wt.%, is close to that of the Zn, 0.1 wt.%. Compared to the sample without Zn, the tensile strength and elongation of the alloy were maximized at a Zn content of 0.15 wt.%. Compared to the sample without the Zn, the tensile strength was increased by 21.29%, and the elongation rate was increased by 46%. An analysis showed that the alloy has good comprehensive mechanical properties when the Zn content is 0.15 wt.%.