Torabi Rad M, Boussinot G, Apel M
Access e.V., Intzestr. 5, 52072, Aachen, Germany.
Sci Rep. 2020 Dec 3;10(1):21074. doi: 10.1038/s41598-020-77863-9.
The mechanical strength of a polycrystalline material can be drastically weakened by a phenomenon known as grain boundary (GB) premelting that takes place, owing to the so-called disjoining potential, when the dry GB free energy [Formula: see text] exceeds twice the free energy of the solid-liquid interface [Formula: see text]. While previous studies of GB premelting are all limited to equilibrium conditions, we use a multi-phase field model to analyze premelting dynamics by simulating the steady-state growth of a liquid layer along a dry GB in an insulated channel and the evolution of a pre-melted polycrystalline microstructure. In both cases, our results reveal the crucial influence of the disjoining potential. A dry GB transforms into a pre-melted state for a grain-size-dependent temperature interval around [Formula: see text], such that a critical overheating of the dry GBs over [Formula: see text] should be exceeded for the classical melting process to take place, the liquid layer to achieve a macroscopic width, and the disjoining potential to vanish. Our simulations suggest a steady-state velocity for this transformation proportional to [Formula: see text]. Concerning the poly-crystalline evolution, we find unusual grain morphologies and dynamics, deriving from the existence of a pre-melted polycrystalline equilibrium that we evidence. We are then able to identify the regime in which, due to the separation of the involved length scales, the dynamics corresponds to the same curvature-driven dynamics as for dry GBs, but with enhanced mobility.
多晶材料的机械强度会因一种称为晶界(GB)预熔化的现象而大幅削弱,这种现象会在所谓的分离势作用下发生,即当干燥晶界自由能[公式:见原文]超过固液界面自由能[公式:见原文]的两倍时。虽然之前对晶界预熔化的研究都局限于平衡条件,但我们使用多相场模型,通过模拟绝缘通道中沿干燥晶界的液层稳态生长以及预熔多晶微观结构的演化来分析预熔化动力学。在这两种情况下,我们的结果都揭示了分离势的关键影响。对于粒度相关的温度区间[公式:见原文]左右,干燥晶界会转变为预熔状态,以至于要发生经典熔化过程、液层达到宏观宽度以及分离势消失,干燥晶界必须超过[公式:见原文]的临界过热。我们的模拟表明这种转变的稳态速度与[公式:见原文]成正比。关于多晶演化,我们发现了不寻常的晶粒形态和动力学,这源于我们所证明的预熔多晶平衡的存在。然后我们能够确定这样一种状态,由于所涉及长度尺度的分离,动力学与干燥晶界的情况相同,都是由曲率驱动的动力学,但迁移率更高。