Razumovskii Igor, Bokstein Boris, Logacheva Alla, Logachev Ivan, Razumovsky Mikhail
Joint Stock Company "Kompozit", Pionerskaya Street 4, 141070 Korolev, Russia.
Department of Physical Chemistry, National University of Science and Technology (MISiS), Leninsky Prospect 4, 119049 Moscow, Russia.
Materials (Basel). 2021 Dec 28;15(1):200. doi: 10.3390/ma15010200.
The influence of alloying elements on the cohesive strength of metal heat-resistant alloys (HRAs) is analyzed. Special parameters are introduced to characterize the individual contribution of each alloying element. These are the partial molar cohesion energy of the matrix (χ) and the cohesive strength of the grain boundaries () and can be calculated by computer modeling based on the density functional theory. The calculating results of the parameters χ and in nickel HRAs with mono- and polycrystalline structures alloyed with refractory metals are presented. The calculated data are used to select the chemical composition and develop new nickel (Ni) HRAs with superior creep-rupture properties. It is assumed that a similar approach can be used to search for alloying elements that will contribute to increasing the cohesive strength of additive objects. The resistance of coherent γ-γ' and lamellar (raft) structures in nickel HRAs to the process of diffusion coarsening during operation is analyzed.
分析了合金元素对金属耐热合金(HRAs)内聚强度的影响。引入了特殊参数来表征每种合金元素的单独贡献。这些参数是基体的偏摩尔内聚能(χ)和晶界的内聚强度(),可基于密度泛函理论通过计算机建模来计算。给出了含难熔金属的单晶和多晶结构镍基耐热合金中参数χ和的计算结果。计算数据用于选择化学成分并开发具有优异蠕变断裂性能的新型镍(Ni)基耐热合金。假定可以采用类似方法来寻找有助于提高添加剂物体内聚强度的合金元素。分析了镍基耐热合金中相干γ-γ'和层状(筏状)结构在运行过程中对扩散粗化过程的抗性。