TY - JOUR
T1 - The Critical Role of Long-Range Strain-Induced Interactions in Stabilizing Zener Ordering
AU - Qin, Weijia
AU - Liu, Xinyi
AU - Li, Jinshan
AU - Lai, Minjie
AU - Zhang, Xie
N1 - Publisher Copyright:
© 2024 Chinese Physical Society and IOP Publishing Ltd.
PY - 2025/1/1
Y1 - 2025/1/1
N2 - As a fundamental theory of structural transformations, the Zener ordering of interstitials in a body-centered cubic host lattice, which was established more than half a century ago, has been challenged by recent first-principles investigations. In this Letter, we rigorously prove the existence of Zener ordering via Monte Carlo simulations with complete interstitial interactions and demonstrate the critical role of long-range indirect strain-induced interactions in stabilizing Zener ordering. These insights improve our understanding of the self-induced collective ordering of point defects in a host lattice and elucidate the fundamental physics of order-disorder phase transitions in alloys.
AB - As a fundamental theory of structural transformations, the Zener ordering of interstitials in a body-centered cubic host lattice, which was established more than half a century ago, has been challenged by recent first-principles investigations. In this Letter, we rigorously prove the existence of Zener ordering via Monte Carlo simulations with complete interstitial interactions and demonstrate the critical role of long-range indirect strain-induced interactions in stabilizing Zener ordering. These insights improve our understanding of the self-induced collective ordering of point defects in a host lattice and elucidate the fundamental physics of order-disorder phase transitions in alloys.
UR - http://www.scopus.com/inward/record.url?scp=85214673852&partnerID=8YFLogxK
U2 - 10.1088/0256-307X/41/12/126101
DO - 10.1088/0256-307X/41/12/126101
M3 - 文章
AN - SCOPUS:85214673852
SN - 0256-307X
VL - 41
JO - Chinese Physics Letters
JF - Chinese Physics Letters
IS - 12
M1 - 126101
ER -