Predicting The Glass Forming Ability Of Multi-component Alloys Based On Thermodynamic Parameters And Its Application

Metallic glasses have excellent properties such as high strength,toughness,wear resistance and corrosion resistance.At present,the development of new amorphous alloy systems mainly relies on trial and error methods,which is time-consuming and labor-intensive.Therefore,how to predict the glass forming ability(GFA)of alloys based on effective parameters is of great significance to the development of new amorphous alloys.At present,thermodynamic parameters are mainly used in the prediction of GFA.Among them,the P_HSS parameter combines the formation enthalpy,mismatch entropy and configuration entropy,which can effectively predict GFA of multicomponent alloys and widely apply in Cu-Zr multicomponent systems.However,the following three problems still exixt in P_HSS:1)How to select a reliable extrapolation model to obtain more accurate formation enthalpy data of multivariate system based on extraterrestrial calculation of binary system;2)How to establish a quantitative relationship between P_HSSparameters and GFA to guide the development of new amorphous alloys;3)How to extend the prediction range of P_HSS parameters from Cu-Zr-based amorphous alloys to other systems.In this paper,the three problems of P_HSSare studied,especially the problem of establishing the quantitative relationship between P_HSS and GFA,and the solutions are proposed and verified in the Cu-Zr-Al-Ni alloy system.The main conclusions of this paper are as follows,(1)Based the data for binary system calculated by the Miedema model,the formation enthalpy of multi-component alloys(Cu-Zr-Ni,Cu-Zr-Al,Ni-Zr-Al,Al-Si-Cu Ni-Si-Al,Cu-Zr-Ni-Al,Al-Ni-Si-Cu and Cu-Ni-Si-Zr)are calculated by general solution model(GSM model),and compares with experimental data and the predicted results by other models.The caculated rusults by GSM model are closer to the experimental data,with smaller errors than Takeuchi model and Gallego model.As result,GSM model is selected to calculate the formation enthalpy of multicomponent alloys.(2)Based on the experimental data of Cu-Zr-based amorphous alloy,the empirical formula between P_HSS parameter and critical dimension(D_c)is obtained by fitting method,which is applied to the prediction of critical dimension(D_c)of Cu-Zr-Al-Ni system.The predicted results are in good agreement with the experimental data.The glass formation range of Cu-Zr-M(M=Al,Ag)alloy is predicted:Cu-Zr rich region with P_HSS=-7.5?-3.5 k J/mol;Based on the guidance of P_HSS,two alloys(Cu_0.375Zr_0.475Al_0.15 and Cu_0.45Zr_0.40Al_0.15)with a completely amorphous structure are prepared.(3)P_HSS parameter is applied to the composition design of LaY_(2-x)M_xNi₉H₁₂(M=Mg,V,Ti,Zr,Sm)hydrogen storage alloy.The predicted results show that the addition of Mg,V,and Ti can significantly reduce the GFA of LaY_(2-x)M_xNi₉H₁₂ alloy.The experimental results show that minor addition of V(x?0.24)or Ti(x?0.12)instead of Y element effectively inhibited the hydrogen-induced amorphous behavior of LaY_(2-x)M_xNi₉ alloy and improved its electrochemical performance.The results above verify the reliability of P_HSS parameter in predictining in the GFA of multicomponent alloys.