The Ternary Intermetallic Compound Formation Of Law And Computer Prediction Of The Binary System Properties

The regularities of ternary intermetallic compound formation have been studied by using atomic parameter-pattern recognition method. The mathematical models for predicting ternary intermetallic compound formation have been established according to different kimis of ternary systems respectively. The computer-aided predictions for physical properties of some binary systems have been studied by using atomic parameter-nonlinear optimal projection regression method. The mathematical models for predicting physical properties of corresponding binary systems also have been established respectively. So far as "regularities of formation of ternary intermetallic compounds" concerned, the following four systems were studied systemically by using atomic parameter (Rsp, VE, and XMB, i.e., Villars's system)-pattern recognition method: 1. Regularities of Formation of Ternary Compounds between Nontransition Elements. It has been found that the representative points of ternary compound- forming alloy systems and that of ternary alloy systems without ternary compound are distributed in different regions in the multi-dimensional space spanned by the atomic parameters or their functions. A hyperpolyhedron model obtained by pattern recognition methods can be used to describe the boundaries of the zone of ternary compound formation in the multi-dimensional space, with good ability of computerized prediction for ternary intermetallic compound formation. 2. Regularities of Formation of Ternary Compounds between Transition Elements. The influences of VE, R,~ and X~ on the formation of the ternary intermetallic compounds are investigated. The criteria of ternary compound formation in the later transition element-containing systems, early transition element-containing systems, systems containing both the early transition element and later transition element, and the systems containing Mn-group elements are found by pattern recognition methods. 3. Regularities of Formation of Ternary compounds between one nontransition element (M) and two transition elements (T and T?. It has been found that ternary compounds are usually formed when T is an early transition metal and T?is a later transition metal if the XMB of nontransition metal M is larger than TI? l999~1O~ L45. The regularities of formation of ternary intermetallic compounds in the T- T?M with two later transition elements or two early transition elements are also investigated. 4. Regularities of Formation of Ternary lntermetallic Compounds between Two Nontransition Elements and One Transition Element. Some empirical criterions found are explained by the concepts of spd hybridization and charge transfer between the atoms of constituent elements. So for as 搕he computer-aided predictions for physical properties of some binary systems?concerned, the following four systems were studied respectively by using atomic parameter-nonlinear optimal projection regression method: 1. Computer-aided prediction for melting points of binary compounds of C14- type Laves phase. 2. Computer-aided prediction for pcritectic decomposing points of binaiy compounds of C1S-type Laves phase. 3. Computer-aided prediction for mixing entropy of some binary liquid alloys 4.