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Article
Open AccessIntrinsic factors responsible for brittle versus ductile nature of refractory high-entropy alloys
Refractory high-entropy alloys (RHEAs) are of interest for ultrahigh-temperature applications. To overcome their drawbacks — low-temperature brittleness and poor creep strength at high temperatures — improved ...
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Article
Open AccessGrain refinement in titanium prevents low temperature oxygen embrittlement
Interstitial oxygen embrittles titanium, particularly at cryogenic temperatures, which necessitates a stringent control of oxygen content in fabricating titanium and its alloys. Here, we propose a structural s...
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Article
Open AccessCleavages along {110} in bcc iron emit dislocations from the curved crack fronts
Body-centered-cubic (bcc) transition metals, such as \(\alpha \) α -Fe and W...
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Article
Open AccessAtomistic weak interaction criterion for the specificity of liquid metal embrittlement
Liquid metal embrittlement (LME) occurs in some solid–liquid metal elements’ couples (e.g., Fe-Zn and Al-Ga), called specificity. Although some material parameters like solubility and bonding energy were sugge...
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Chapter
Descriptions of Dislocation via First Principles Calculations
Dislocation is one of the most representative plastons to determine the mechanical properties of crystalline materials. In this section, several computational approaches for of dislocations and dislocation-rel...
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Article
Open AccessHydrogen-accelerated spontaneous microcracking in high-strength aluminium alloys
Aluminium alloys are re-evaluated as most feasible way to satisfy the industrial needs of light-weight structural materials. However, unlike conventional structural metals such as iron and titanium, aluminium ...