Computational modeling of grain boundary segregation: A review
Nearly all metals, alloys, ceramics, and their associated composites are polycrystalline in
nature, with grain boundaries that separate well-defined crystalline regions that influence …
nature, with grain boundaries that separate well-defined crystalline regions that influence …
[HTML][HTML] Grain boundary segregation in Ni-base alloys: A combined atom probe tomography and first principles study
Grain boundary engineering (GBE) plays an important role in the design of new
polycrystalline materials with enhanced mechanical properties. This approach has been …
polycrystalline materials with enhanced mechanical properties. This approach has been …
Phosphorus and transition metal co-segregation in ferritic iron grain boundaries and its effects on cohesion
The phenomenological interplay in the segregation of phosphorus (P) and transition metal
(TM) elements at grain boundaries (GBs) in steels has long been suspected to be the main …
(TM) elements at grain boundaries (GBs) in steels has long been suspected to be the main …
Hydrogen-enhanced decohesion mechanism of the Ni-Ni3X interfaces in precipitation-hardened Ni-based alloys
Q Tan, S He, X Chen, Y Liu, OI Gorbatov… - Journal of Alloys and …, 2023 - Elsevier
Ni and its alloys are susceptible to hydrogen embrittlement. In this study, we investigate the
phenomenon of hydrogen-enhanced decohesion at inter-phase interfaces in precipitation …
phenomenon of hydrogen-enhanced decohesion at inter-phase interfaces in precipitation …
The influence of alloying on Zn liquid metal embrittlement in steels
In this study we investigate Zn liquid metal embrittlement at Fe grain boundaries (GBs) by
employing ab initio density functional theory (DFT) simulations. We consider three different …
employing ab initio density functional theory (DFT) simulations. We consider three different …
[HTML][HTML] Hydrogen assisted intergranular cracking of alloy 725: The effect of boron and copper alloying
To overcome the Hydrogen embrittlement (HE) susceptibility of the standard Alloy 725 (Mod
A), two alloys with minor alloying modifications with B (Mod B) and B+ Cu (Mod C) were …
A), two alloys with minor alloying modifications with B (Mod B) and B+ Cu (Mod C) were …
Aluminum depletion induced by co-segregation of carbon and boron in a bcc-iron grain boundary
The local variation of grain boundary atomic structure and chemistry caused by segregation
of impurities influences the macroscopic properties of polycrystalline materials. Here, the …
of impurities influences the macroscopic properties of polycrystalline materials. Here, the …
Hydrogen-enhanced intergranular failure of sulfur-doped nickel grain boundary: In situ electrochemical micro-cantilever bending vs. DFT
Intergranular failure of nickel (Ni) single grain boundaries (GBs) owing to the segregation of
sulfur (S), hydrogen (H), and their co-segregation has been investigated by employing micro …
sulfur (S), hydrogen (H), and their co-segregation has been investigated by employing micro …
Hydrogen-enhanced decohesion mechanism of the special Σ5 (0 1 2)[1 0 0] grain boundary in Ni with Mo and C solutes
Ni and its alloys are susceptible to hydrogen embrittlement (HE). In this work, we perform a
systematic density functional theory (DFT)-based investigation on the hydrogen-enhanced …
systematic density functional theory (DFT)-based investigation on the hydrogen-enhanced …
The effect of solute atoms on the bulk and grain boundary cohesion in Ni: Implications for hydrogen embrittlement
Solute atoms dissolved in the Ni matrix can segregate to grain boundaries and have a
pronounced effect on the performance of Ni-base alloys. Some elements, like, hydrogen …
pronounced effect on the performance of Ni-base alloys. Some elements, like, hydrogen …