Hideki Mori^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.32, No.1, pp. 1-1, 2024, DOI:10.32604/icces.2024.012935

Abstract To design the mechanical strength of iron, it is very important to clarify the detail of dislocation dynamics in Body-Centered Cubic (BCC) Iron. The dislocation core structures are typically confined to the nanometer scale.
This implies that the resistance force from discrete atomic columns has a direct bearing on dislocation mobility.
Recently, we've developed a high-fidelity inter-atomic potential leveraging neural networks built upon density functional theory (DFT) data. By conducting dislocation dynamics simulations, we've addressed shortcomings inherent in classical inter-atomic potential approaches. Nonetheless, a significant challenge persists: a three- to four-fold deviation exists between More >

Shihao Zhu¹, Fanshun Meng¹, Shihao Zhang¹, Shigenobu Ogata^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.31, No.4, pp. 1-1, 2024, DOI:10.32604/icces.2024.012058

Abstract Hydrogen dissolves in most metallic materials and causes hydrogen embrittlement (HE). This is particularly relevant to iron, a widely used material in engineering applications, which can degrade when exposed to high-pressure hydrogen gas under high temperature. As the hydrogen concentration is a primary factor controls defects properties in metals [1], it is crucial to understand the hydrogen solubility under high H2 pressure, but this aspect remains unclear. At low H2 pressures, the solubility of hydrogen can be predicted using Sieverts’ law [2], which states that the solubility increases proportionally to the square root of H2… More >