Zobrazeno 1 - 10
of 43
pro vyhledávání: '"Fortunato, Nuno M."'
Autor:
Fortunato, Nuno M., Li, Xiaoqing, Schönecker, Stephan, Xie, Ruiwen, Taubel, Andreas, Scheibel, Franziska, Opahle, Ingo, Gutfleisch, Oliver, Zhang, Hongbin
Due to their versatile composition and customizable properties, A$_2$BC Heusler alloys have found applications in magnetic refrigeration, magnetic shape memory effects, permanent magnets, and spintronic devices. The discovery of all-$d$-metal Heusler
Externí odkaz:
http://arxiv.org/abs/2306.17092
We developed an inverse design framework enabling automated generation of stable multi-component crystal structures by optimizing the formation energies in the latent space based on reversible crystal graphs with continuous representation. It is demo
Externí odkaz:
http://arxiv.org/abs/2104.08040
Autor:
Shen, Chen, Gao, Qiang, Fortunato, Nuno M., Singh, Harish K., Opahle, Ingo, Gutfleisch, Oliver, Zhang, Hongbin
Based on high-throughput density functional theory calculations, we performed screening for stable magnetic MAB compounds and predicted potential strong magnets for permanent magnet and magnetocaloric applications. The thermodynamical, mechanical, an
Externí odkaz:
http://arxiv.org/abs/2009.14543
Autor:
Singh, Harish K., Samathrakis, Ilias, Fortunato, Nuno M., Zemen, Jan, Shen, Chen, Gutfleisch, Oliver, Zhang, Hongbin
Based on density functional theory calculations, we elucidated the origin of multifunctional properties for cubic antiperovskites with noncollinear magnetic ground states, which can be attributed to strong isotropic and anisotropic magnetostructural
Externí odkaz:
http://arxiv.org/abs/2009.06440
Autor:
Long, Teng, Fortunato, Nuno M., Opahle, Ingo, Zhang, Yixuan, Samathrakis, Ilias, Shen, Chen, Gutfleisch, Oliver, Zhang, Hongbin
Publikováno v:
npj Comput Mater 7, 66 (2021)
Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and forward mode
Externí odkaz:
http://arxiv.org/abs/2007.11228
Akademický článek
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Publikováno v:
In Acta Materialia 1 June 2022 231
Autor:
Costa, Rui M., Belo, João H., Barbosa, Marcelo B., Algarabel, Pedro A., Magén, César, Morellon, Luis, Ibarra, Manuel R., Gonçalves, João N., Fortunato, Nuno M., Amaral, João S., Araújo, João P., Pereira, André M.
In this report, a successful thermodynamical model was employed to understand the structural transition in Er$_5$Si$_4$, able to explain the decoupling of the magnetic and structural transition. This was achieved by the DFT calculations which were us
Externí odkaz:
http://arxiv.org/abs/1703.10802
Autor:
Fortunato, Nuno M.1 (AUTHOR) fortunato@tmm.tu-darmstadt.de, Taubel, Andreas2 (AUTHOR), Marmodoro, Alberto3 (AUTHOR), Pfeuffer, Lukas2 (AUTHOR), Ophale, Ingo1 (AUTHOR), Ebert, Hebert4 (AUTHOR), Gutfleisch, Oliver2 (AUTHOR), Zhang, Hongbin1 (AUTHOR) hzhang@tmm.tu-darmstadt.de
Publikováno v:
Advanced Science. 6/13/2023, Vol. 10 Issue 17, p1-11. 11p.
Autor:
Fortunato, Nuno M., Li, Xiaoqing, Schönecker, Stephan, Xie, Ruiwen, Taubel, Andreas, Scheibel, Franziska, Opahle, Ingo, Gutfleisch, Oliver, Zhang, Hongbin
Publikováno v:
Chemistry of Materials; 7/23/2024, Vol. 36 Issue 14, p6765-6776, 12p