Papers by Keyword: Grain Boundary Energy

Paper TitlePage

Authors: George Kaptay
Abstract: In solidification experiments of binary eutectic alloys, the eutectic spacing and undercooling are measured as function of the solidification rate. A new theoretical relationship is derived herewith between the Gibbs-Thomson coefficient and the above mentioned values for both lamellar and rod type eutectics. This new equation allows the estimation of the interfacial energy between eutectic solid phases. For the Sn/Pb eutectics the value of about 0.15 N/m is found in this paper using experimental literature data on eutectic solidification experiments. This is consistent with an earlier value obtained by a more complex experimental method of Gündüz and Hunt.
Authors: Ji Luo, Zhi Rui Wang
Abstract: Recently, the necessity to grade grain size to ultrafine and nano scale for understanding the mechanical behavior of these materials has been recognized. However, the nature of such classification has remained unclear. As an example, ultrafine (100 nm -1 μm) and nano (<100 nm) grained FCC metals, compared to their coarse grained counterparts, exhibit a grain size strengthening that may deviate from the Hall-Petch relationship. To explain the mechanism of such deviation, previous dislocation theories seem insufficient. To solve this problem, a critical grain size criterion governing the shift of deformation mechanism is proposed in this work. This model employs an energetic approach; it relates the grain boundary energy density to certain critical energy values; and it permits, for the first time, a quantitative grading of grain sizes. Predictions based on this model were evaluated. The prediction on copper polycrystals of various grain sizes showed a very good agreement with experimental results. It is thus wished that the grain size theory on plastic deformation mechanism could be unified with the dislocation theory. In this study, such unification is attempted by using a parameter defined as the defect energy density. The possibility of such generalization is further reasoned upon the fact that the defect energy approach should be a unique but common form applicable for both dislocations and grain boundaries.
Authors: Ye Chao Zhu, Jiong Hui Mao, Fa Tang Tan, Xue Liang Qiao
Abstract: Low energy grain boundaries were considered to be important in abnormal grain growth by theoretical deduction. The disorientation angles and coincidence site lattice grain boundaries distribution of more than 20 Goss grains and their neighboring matrix grains in primary recrystallized Fe-3%Si alloy were investigated using an electron backscatter diffraction method. It was found that the frequency of low energy grain boundaries of Goss grains which are more likely to abnormally grow are higher than their neighboring matrix grains, which indicated that low energy grain boundaries play a dominant role in the abnormal grain growth of Fe-3%Si alloy. The result meets well with the abnormal grain growth theory.
Authors: Alexander H. King, V. Singh
Authors: Moneesh Upmanyu, Zachary T. Trautt, Branden B. Kappes
Abstract: Anisotropy in grain boundary “thermo-kinetics” is central to our understanding of microstructural evolution during grain growth and recrystallization. This paper focusses on role of atomic-scale computer simulation techniques, in particular molecular dynamics (MD), in extracting fundamental grain boundary properties and elucidating the atomic-scale mechanisms that determine these properties. A brief overview of recent strides made in extraction of grain boundary mobility and energy is presented, with emphasis on plastic strain induced boundary motion (p-SIBM) during recrystallization and curvature driven boundary motion (CDBM) during grain growth. Simulations aimed at misorientation dependence of the grain boundary properties during p-SIBM and CDBM show that boundary mobility and energy exhibit extrema at high symmetry misorientations and boundary mobility is comparatively more anisotropic during CDBM. This suggests that boundary mobility is dependent on the driving force. Qualitative observations of the atomic-scale mechanisms in play during boundary motion corroborate the simulation data. p-SIBM is dominated by motion of dislocation-interaction induced stepped structure of the grain boundaries, while correlated shuffling of group of atoms preceded by rearrangement of grain boundary free volume due to single atomic-hops across the grain boundary is frequently observed during CDBM. Comparison of the simulation results with high-purity experimental data extracted in Al indicates that while there is excellent agreement in misorientation dependent anisotropic properties, there are significant differences in values of boundary mobility and migration activation enthalpy. This strongly suggests that minute concentration of impurities retard grain boundary kinetics via impurity drag. Finally, the paper briefly discusses current and future challenges facing the computer simulation community in studying grain boundary systems in real materials where extrinsic effects (vacancy, impurity, segregation and particle effects) significantly alter the microscopic structure-mechanism relations and play a decisive role in determining the boundary properties.
Authors: Sirish Namilae, C. Shet, Names Chandra, T.G. Nieh
Authors: Bo Bin Xing, Shao Hua Yan, Wu Gui Jiang, Qing Hua Qin
Abstract: In this study, an atomistic simulation was performed to investigate intrinsic resonance propensity of clamped-clamped copper nanowires with Σ5 (310)/[001] symmetric tilt grain boundary. Grain boundary energy γGB for bicrystal structure was calculated based on an iterative approach. The stable atomic configuration was then doubly clamped and excited via flexural oscillation under varied temperatures. From the result, the appearance of grain boundary significantly alters the resonance properties of Cu nanowires. Greater attenuation in kinetic energy can be observed with increased temperature. Quality factors attains Q ~ 1/T0.7144 and 1/T0.7249 with temperatures from kinetic energy and centroid root mean square spectrum, respectively, where the former seems more reliable to employ at elevated temperatures.
Authors: Zheng Chen, Feng Liu, Cheng Jin Shen, Yu Fan
Abstract: A detailed comparison between kinetic and thermodynamic effects on grain growth in nanocrystalline Gd doped ceria ceramics was given. From the thermodynamic standpoint, the evolution of grain size with annealing time can be described using an analytical model for grain boundary segregation upon isothermal grain growth. From the kinetic standpoint, the single isothermal grain growth can be understood in terms of a single, thermally-activated rate process with constant grain boundary energy, σb. The solute excess in grain boundaries increases with grain growth and tends to its saturated value, therefore, the inhibition of grain growth can be attributed to the reduction of grain boundary energy σb through solute segregation.
Showing 1 to 10 of 49 Paper Titles