Simulation Study On The Glass Forming Ability And Mechanical Properties Of NiTiAl Allo

The field of electronic information is a comprehensive discipline that encompasses various subjects such as microelectronics,optoelectronics,telecommunications,computer science,and control.Material science plays a crucial role in the electronic information field as the properties of materials determine the functionality and efficiency of electronic devices and systems.Therefore,the research on novel electronic information materials is an important focus within the field of electronic information.NiTiAl alloy is widely used in modern electronic information industries such as electronic circuits,electromagnetic protection,optical devices,optical storage,and electronic communications.However,with the increasing demands on the performance of electronic products,traditional crystalline NiTiAl alloy is no longer able to meet the requirements for their development.Thus,there is an urgent need for the study of high-performance amorphous NiTiAl alloys.However,the weak glass-forming ability and brittle fracture properties of amorphous alloys have been limiting their development and applications.The macroscopic properties of amorphous materials are determined by their microscopic structures.In this study,molecular dynamics simulations were employed to investigate the glass-forming ability and mechanical properties of NiTiAl alloys.The main research contents are as follows:Firstly,rapid solidification simulations were conducted on NiTiAl alloys with different Al contents to study the influence of nanoscale clusters on the formation of amorphous alloys.The results showed that reducing the Al content is beneficial for the formation of amorphous structures and improves the glass-forming ability of the alloys.Additionally,it was found that during the rapid solidification process,the alloy structure undergoes a transformation with an increase in five-fold symmetry,which is related to the decrease in configurational entropy.Furthermore,it was observed that the average size of TCP nanoclusters increases with decreasing Al content,and the size of these TCP nanoclusters is a key factor affecting the glassforming ability of the alloy.Secondly,the mechanical properties and deformation mechanisms of single-crystal,polycrystalline,and amorphous NiTiAl alloys were analyzed.It was found that single-crystal and polycrystalline structures undergo a phase transition from FCC to Others clusters,while the amorphous structure forms multiple shear transformation zones(STZs)and eventually develops shear bands.The study also revealed that factors such as the total length of dislocation lines and the sizes of microstructural clusters and medium-range ordered nanoclusters affect the plastic deformation behavior of the alloy.Finally,crystalline-amorphous composite materials(ACNMs)were formed by combining single-crystal and amorphous layers with different thicknesses,and their mechanical properties and microstructural deformation mechanisms were investigated.The results showed that ACNMs combine the advantages of single-crystal and amorphous materials,and their yield strength and plasticity can be optimized by controlling the layer thickness.It was also observed that the amorphous layer and interfacial layer deform prior to the crystalline layer to counterbalance the stress generated during the tensile process.These research findings provide valuable insights into the structure and properties of NiTiAl alloys and offer guidance for the development of new high-performance alloy materials.