MOLECULAR DYNAMICS STUDY OF DEFORMATION AND FRACTURE OF BI-SEGREGATED COPPER BICRYSTALS

The microprocesses of deformation and fracture of Bi-segregated copper bicrystals Σ33 (545) 58.99°, Σ11 (323) 50.48° and Σ9 (212) 38.94° have been simulated by molecular dynamics in order to study the relationship between the grain boundary embrittlement (GBE) and grain boundary (GB) structure. It is shown that GBE is related to the segregated concentration and distribution of Bi atoms, while Bi segregation is re- lated to the GB structure. Due to their different structures, the bicrystals Σ33, Σ11 and Σ9 show an increasing propensity for Bi segregated concentration. So under the action of external force, Σ33, Σ11 and Σ9 show transgranular ductile, intergranular tearing and intergranular brittle fracture modes, respectively.

Rapid Hydrogen Transportation Along Grain Boundary in Nickel

The permeability and diffusivity of hydrogen in directionally solidified polycrystalline and single crystal nickel foils were measured by gas permeation method.The results showed that both hydrogen diffusivity and permeability were higher in directionally solidified nickel specimen than those in single crystal one at the temperature ranging from 300 to480 °C,and confirmed the existence of short-circuit diffusion along the grain boundaries（GBs） in the directionally solidified nickel.The results suggested that the rapid diffusion along GBs was more obviously characterized in terms of higher permeability rather than higher diffusivity.The contribution of grain boundary to hydrogen transportation was represented by the differences of diffusivity（and permeability） in single crystal nickel and directionally solidified nickel.By modifying the Fick＇s first diffusion law and counting the grain boundary density,the hydrogen diffusivity and permeability of rapid diffusion along GBs were calculated.The results suggested both the diffusivity and permeability fit the Arrhenius relationship well at different temperature.

Effects of trace elements on mechanical properties of the TiZrHfNb high-entropy alloy

Refractory high-entropy alloys have great potential to be utilized as high-temperature materials,and the repeatability and reproducibility of their mechanical properties are critical for practical applications.In this work,nevertheless,we found that the mechanical properties of the TiZrHfNb HEA greatly varied with the content of impurities in the samples even using high-purity raw materials.Specifically,the oxygen impurity is mainly responsible for the increment of the yield stress due to the strong interstitial hardening effect,whilst the ductility deterioration closely associates with the content of metalloid elements B,C,and Si.Our analysis reveals that the metalloid elements not only tend to segregate at grain boundaries but also enhance the aggregation of Zr and Ti.Such co-segregation induced the formation of strong(Zr,Ti)-metalloid bonds,resulting in grain boundary embrittlement and brittle fracture.Our current work demonstrates that the impurity contents in refractory HEAs need to be strictly controlled during production in order to improve their stability of mechanical performance.

Effect of rare earth cerium on brittleness of simulated welding heat-affected zones in a reactor pressure vessel steel

The welding coarse-grained heat-affected zones（CGHAZs） in the undoped and Ce-doped samples of SA508CL-3 reactor pressure vessel steel were simulated using a Gleeble 1500 D thermomechanical simulator with a peak temperature of 1320 oC at the heat inputs of 30, 50 and 100 kJ /cm, respectively. The ductile-to-brittle transition temperature（DBTT） of the simulated CGHAZs was evaluated along with microstructural and microchemical characterizations. The results indicated that Ce could substantially lower the DBTT of the CGHAZs by its microstructural and microchemical effects. After the thermal cycling of welding, the microstructure in the Ce-doped samples was apparently finer than that in the undoped samples, regardless of the lath bainite obtained at the heat inputs of 30 and 50 kJ /cm or the granular bainite acquired at the heat input of 100 kJ /cm, leading to lower DBTTs for the Ce-doped samples. Moreover, grain boundary segregation of Ce occurred apparently in the Ce-doped samples and exhibited a non-equilibrium characteristic. The segregation of Ce could play an important role in lowering the DBTT of CGHAZs or toughening the CGHAZs.