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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
Identification of Hydrogen Trap** in Aluminum Alloys Via Muon Spin Relaxation Method and First-Principles Calculations
Although hydrogen embrittlement susceptibility of high-strength Al alloys is recognized as a critical issue in the practical use of Al alloys, identifying the hydrogen trap** or distribution has been challen...
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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 ...
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Article
Atomic scale HAADF-STEM study of η′ and η 1 phases in peak-aged Al–Zn–Mg alloys
The microstructures of precipitates in Al–Zn–Mg alloys in peak-aged condition have been studied using scanning transmission electron microscope. The same thermo-mechanical treatment was applied in all alloys. ...
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Article
Effect of Carbon Impurity Content on Microstructural Evolution in Neutron-Irradiated Alpha Iron: Cluster Dynamics Modeling
Cluster dynamics (CD) modeling has been used to estimate the long-term evolution of point defect (PD) clusters. However, previous studies have often simplified the governing equations by assuming the maximum s...
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Article
Hierarchical computational approaches of the effects of interstitial and vacancy loops on plastic deformation
Hierarchical modeling based on atomistic and continuum simulations were established to describe the fundamental characteristics of plastic deformation in irradiated materials. Typical irradiation defects of a ...
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Article
Grain Boundary Characteristics Evaluation by Atomistic Investigation Methods
The grain boundary has been recognized for one of the major defect structures in determining the material strength. It is increasingly important to understand the individual characteristics of various types of...
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Chapter and Conference Paper
Collective Dislocation Behavior in Single Crystalline Aluminum Under Indentation
Recent mesoscale experiments resulting in scale-dependency on the mechanical deformation have yielded the strain-gradient plasticity [1] and furthermore motivated the linkage between the discrete defects dynam...
