@Article{icces.2024.012935,
AUTHOR = {Hideki Mori},
TITLE = {Effects of Spin Excitation on the Dislocation Dynamics in Body-Centered Cubic Iron},
JOURNAL = {The International Conference on Computational \& Experimental Engineering and Sciences},
VOLUME = {32},
YEAR = {2024},
NUMBER = {1},
PAGES = {1--1},
URL = {http://www.techscience.com/icces/v32n1/58869},
ISSN = {1933-2815},
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. <br/>
This implies that the resistance force from discrete atomic columns has a direct bearing on dislocation mobility. <br/>
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 DFT calculations and experimental results regarding screw dislocation mobility. <br/>
In this investigation, we're crafting an inter-atomic potential that integrates spin degrees of freedom. With this constructed potential, we aim to explore the impact of Spin Excitation on the dislocation dynamics in BCC iron.},
DOI = {10.32604/icces.2024.012935}
}