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Electron theory study of the mechanism of hydrogen embrittlement in alpha-Fe

机译：α-Fe氢脆机理的电子理论研究

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The mechanism of hydrogen embrittlement in a-Fe has been extensively studied, which is generally considered to be associated with the characteristics of atomic bonds. Some investigations revealed that the mechanism of hydrogen embrittlement in a-Fe isthat solute hydrogen decreases the strength of the atomic bonds at the crack tip and therefore reduces the cleavage stress of {100} planes. However, some investigations have clarified that hydrogen does not decrease the cohesive forces between iron atoms. In this note, the effect of hydrogen atoms on the bond characteristics and on the electron distributions in a-Fe is analysed in the light of calculation of bond energy for a-Fe containing hydrogen, It was found that solute hydrogen changes the statesof iron atoms and results in formation of severely anisotropic cleavage strength and remarkable reduction of lattice electrons in the crystal, which may be thought as the foundamental mechanism of hydrogen embrittlement introducing easier cleavage fracture in alpha-Fe.
机译：已经广泛研究了α-Fe中氢脆的机理，这通常被认为与原子键的特性有关。一些研究表明，a-Fe中氢脆的机制是固溶氢降低了裂纹尖端处原子键的强度，从而降低了{100}面的分裂应力。但是，一些研究表明，氢不会降低铁原子之间的内聚力。在此说明中，根据含氢的a-Fe的键能的计算，分析了氢原子对a-Fe的键特性和电子分布的影响，发现溶质氢会改变铁原子的状态并导致形成严重的各向异性分裂强度并显着降低晶体中的晶格电子，这可能被认为是氢脆导致α-Fe易于分裂断裂的基本机理。

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