Zobrazeno 1 - 10
of 69 714
pro vyhledávání: '"short–range order"'
Autor:
Niu, Caimei, Liu, Lifeng
High-Entropy Alloys (HEAs) exhibit complex atomic interactions, with short-range order (SRO) playing a critical role in determining their properties. Traditional methods, such as Monte Carlo (MC) and hybrid MC-Molecular Dynamics (MC-MD), are often co
Externí odkaz:
http://arxiv.org/abs/2411.18906
Long-timescale processes pose significant challenges in atomistic simulations, particularly for phenomena such as diffusion and phase transitions. We present a deep reinforcement learning (DRL)-based computational framework, combined with a temporal
Externí odkaz:
http://arxiv.org/abs/2411.17839
Metallic alloys are routinely subjected to nonequilibrium processes during manufacturing, such as rapid solidification and thermomechanical processing. It has been suggested in the high-entropy alloy literature that chemical short-range order (SRO) c
Externí odkaz:
http://arxiv.org/abs/2409.15474
Autor:
Liu, Shang, Liang, Yunfan, Zhao, Haochen, Eldose, Nirosh M., Bae, Jin-Hee, Concepcion, Omar, Jin, Xiaochen, Chen, Shunda, Bikmukhametov, Ilias, Akey, Austin, Cline, Cory T., Covian, Alejandra Cuervo, Wang, Xiaoxin, Li, Tianshu, Zeng, Yuping, Buca, Dan, Yu, Shui-Qing, Salamo, Gregory J., Zhang, Shengbai, Liu, Jifeng
Atomic short-range order (SRO) in direct-bandgap GeSn for infrared photonics has recently attracted attention due to its notable impact on band structures. However, the SRO in GeSn thin films grown by different methods have hardly been compared. This
Externí odkaz:
http://arxiv.org/abs/2407.02767
Publikováno v:
Journal of Materials Research and Technology, Vol 33, Iss , Pp 7147-7156 (2024)
Short-range order (SRO) structure has been considered a potential strengthening method to improve the mechanical properties of high-entropy alloys (HEAs). However, the reinforcement mechanism of SRO structure on the HEA is still unclear. Here, the ef
Externí odkaz:
https://doaj.org/article/ed464b877ba7408eac9b027db129f392
Autor:
Li, Zhi, Scandolo, Sandro
The phase diagram and sound velocities of the Fe-Si binary alloy, crucial for understanding the Earth's core, are determined at inner core boundary pressure with \textit{ab-initio} accuracy through deep-learning-aided hybrid Monte Carlo simulations.
Externí odkaz:
http://arxiv.org/abs/2409.08008
Autor:
Mora-Barzaga, Geraudys1, Urbassek, Herbert M.2 urbassek@rhrk.uni-kl.de, Deluigi, Orlando R.1, Pasinetti, P. Marcelo3, Bringa, Eduardo M.1,4
Publikováno v:
Scientific Reports. 9/4/2024, Vol. 14 Issue 1, p1-17. 17p.
Autor:
Aamlid, Solveig S., Mugiraneza, Sam, González-Rivas, Mario U., King, Graham, Hallas, Alannah M., Rottler, Jörg
Publikováno v:
Chemistry of Materials 36, 19, 9636-9645 (2024)
An idealized high entropy oxide is characterized by perfect chemical disorder and perfect positional order. In this work, we investigate the extent to which short-range order (SRO) and local structural distortions impede that idealized scenario. Work
Externí odkaz:
http://arxiv.org/abs/2406.01841
Crystalline materials have atomic-scale fluctuations in their chemical composition that modulate various mesoscale properties. Establishing chemistry-microstructure relationships in such materials requires proper characterization of these chemical fl
Externí odkaz:
http://arxiv.org/abs/2405.08628
Short-range order (SRO) alters the mechanical properties of technologically relevant structural materials such as medium/high entropy alloys and austenitic stainless steels. In this study, we present a generalized spin cluster expansion (CE) model an
Externí odkaz:
http://arxiv.org/abs/2405.04423