9 Result(s)
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Article
Mitsuhiro Itakura
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Article
Open AccessMachine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses
The first sharp diffraction peak (FSDP) in the total structure factor has long been regarded as a characteristic feature of medium-range order (MRO) in amorphous materials with a polyhedron network, and its un...
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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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Open AccessMachine learning molecular dynamics simulations toward exploration of high-temperature properties of nuclear fuel materials: case study of thorium dioxide
Predicting materials properties of nuclear fuel compounds is a challenging task in materials science. Their thermodynamical behaviors around and above the operational temperature are essential for the design o...
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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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Screw dislocation–spherical void interactions in fcc metals and their dependence on stacking fault energy
We performed molecular dynamics simulations to evaluate the effects of stacking fault energy (SFE) on interactions between a screw dislocation and spherical voids in face-centered cubic (fcc) metals. It was ob...
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Atomistic simulations for the effects of stacking fault energy on defect formations by displacement cascades in FCC metals under Poisson’s deformation
We performed molecular dynamics simulations of displacement cascades in FCC metals under Poisson’s deformation using interatomic potentials differing in stacking fault energy (SFE), in order to investigate the...
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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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First-Principles Study on the Grain Boundary Embrittlement of Metals by Solute Segregation: Part II. Metal (Fe, Al, Cu)-Hydrogen (H) Systems
The microscopic mechanism of grain boundary (GB) embrittlement in metals by hydrogen segregation (trap**) has been not well understood for many years. From first-principles calculations, we show here that th...
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Modeling of Subgrain Growth Kinetics: 3D Monte-Carlo Simulation
We used a three-dimensional Monte Carlo method to investigate subgrain growth with different initial values for average grain-boundary misorientation, and found that abnormal grain growth emerges for relativel...
