Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Quantum Monte Carlo Study of Artificial Triangular Graphene Quantum Dots(Amer Physical Soc, 2025) Kul, E. Bulut; Habibzadeh, Alireza; Cinar, M. N.; Guclu, A. D.We investigate the magnetic phases of semiconductor-based artificial triangular graphene quantum dots (TGQDs) with zigzag edges using variational and diffusion Monte Carlo methods. These systems serve as quantum simulators for bipartite lattices with broken sublattice symmetry, providing a platform to study the extended Hubbard model's emergent magnetic phenomena, including Lieb's magnetism at half filling, edge depolarization upon single-electron addition, and Nagaoka ferromagnetism. Our nonperturbative quantum Monte Carlo simulations, performed for finite-sized TGQDs modeled as nanopatterned GaAs quantum wells, with system sizes up to Ns = 61 lattice sites, reveal a transition from metallic to insulating regimes as a function of the quantum well radius rho, while preserving edge-polarized ground states at half filling. Notably, edge depolarization occurs upon single-electron doping in both metallic and insulating phases, in contrast to the Nagaoka ferromagnetism observed in hexagonal armchair geometries.Article A Critical Analysis of Pulverization Mechanism During Hydrogen Decrepitation of End-Of Ndfeb Magnets(Elsevier Science Sa, 2025) Habibzadeh, Alireza; Gokelma, MertolGiven the increasing demand and limited availability of rare earth elements (REEs), innovative solutions are critical to managing supply risks. Recycling is a key strategy in mitigating these risks, particularly for NdFeB magnets, which consume a large portion of REEs. Among the various recycling processes, hydrogen decrepitation (HD) has gained popularity due to its efficiency in producing fine powders for magnet-to-magnet recycling. While the HD mechanism is commonly attributed to hydride formation in the Nd-rich grain boundary phase, this study presents new findings that challenge this assumption. Through the hydrogenation of End-of-Life (EoL) NdFeB magnets at temperatures ranging from 25 to 400 & ring;C, the results indicate that the primary mechanism of pulverization arises from hydride formation in the Nd2Fe14B matrix rather than in the Nd-rich phase, especially at low temperatures where NdH2 formation is kinetically unfavorable. This revised mechanism was supported by evidence from X-ray diffraction, BSE and SE-SEM imaging, particle size analysis, diffusion modeling, and stress analysis.
