The Effects of Segregation on Grain Boundary Cohesive Energies in Ni3-xAIl+x 1L Najafahadi?,
نویسندگان
چکیده
The structure and properties of grain boundaries in the intermetallic alloy Ni3A1 have received considerable attention in the past several years due to their interesting mechanical properties. The aim in many of these studies [1-13] was to explain the increase in ductility that occurs when polycrystalline Ni3AI is doped with boron. Experimental observations [1-7] have shown that there is a strong correlation between nickel enrichment at grain boundaries and the ductilization of boron-doped polycrystalline Ni3AI. This grain boundary nickel enrichment has only been observed in Nirich Ni3-xAll+x (i.e., x<0). Some experimental studies have shown that grain boundary nickel enrichment also occurs in Ni-rich, boron-free polycrystalline Ni3-xAll+x [3,7]. Two models have been proposed [14,15] to explain the observed ductilization of polycrstalline Ni3AI. In the first model [e.g. 14], an increase in grain boundary cohesive energy has been attributed to nickel enrichment at the grain boundaries, while in the other model [15], it is suggested that the transmittal of slip across the grain boundary becomes easier in chemically disordered grain boundaries, where the disorder is induced by the nickel enrichment at grain boundaries. While these two purported effects of nickel segregation are not necessarily exclusive, experimental studies have been unable to conclusively validate either.
منابع مشابه
First-principles investigation of Mg segregation at Σ = 11(113) grain boundaries in Al
The preferred site of Mg segregation at = 11(113)grain boundaries in Al and the effects of Mg segregation on grain boundary cohesion have been investigated through first-principle pseudopotential total energy calculations. The results show that the Mg atom prefers to occupy the ‘looser’ site at the grain boundary of Al but not the ‘tighter’ site. Furthermore, on basis of the thermodynamic theor...
متن کاملATOMISTIC SIMULATIONS OF [100], [110] AND [111] SYMMETRIC TILT GRAIN BOUNDARIES IN Ni3Al
The embedded atom type otentials and static relaxation method combined with the steepest descent computational technfque have been used to simulate the grain boundary atomic structures, grain boundary energies, grain boundary cohesive energies, the distribution of electron density and stress field in the rain boundar re ion, the formation energies of vacancies and other related problems of [IOO...
متن کاملGrain boundary energies and cohesive strength as a function of geometry
Cohesive laws are stress-strain curves used in finite element calculations to describe the debonding of interfaces such as grain boundaries. It would be convenient to describe grain boundary cohesive laws as a function of the parameters needed to describe the grain boundary geometry; two parameters in two dimensions and five parameters in three dimensions. However, we find that the cohesive law...
متن کاملSegregation of Boron to Grain Boundaries in Iron and a Stainless Steel
The effects of boron on the grain boundary and surface energies in iron at 900 and 1000 OC and AISI 316 stainless steel in the temperature range 950-1 250 OC were investigated. It was found that boron reduced these energies in a manner typical of an element with low solubility in the matrix. It has been found that boron improves the grain boundary strength of iron at low temperatures [I] and in...
متن کاملStructure of and ion segregation to an alumina grain boundary: Implications for growth and creep
Using periodic density-functional theory (DFT), we investigated the structure and cohesive properties of the -alumina 11 tilt grain boundary, with and without segregated elements, as a model for the thermally grown oxide in jet engine thermal barrier coatings. We identified a new low-energy structure different from what was proposed previously based on electron microscopy and classical potentia...
متن کامل