Teori för oordnade material

Graf teori för oordnade material.

Publikationer

2026

Zhehao Chen, Aslak J. J. Fellman, Katarzyna Mulewska, Kenichiro Mizohata, Davide Gambino, Yanling Ge, Eryang Lu, Flyura Djurabekova, Andreas Delimitis, Lukasz Kurpaska, Filip Tuomisto, Kostas Sarakinos (2026) Formation of coherent nanocomposite structure in nickel-aluminum alloys synthesized far from equilibrium Acta Materialia, Vol. 302, Artikel 121674 (Artikel i tidskrift) Vidare till DOI

2025

Patcharaporn Khajondetchairit, Siriwimol Somdee, Tinnakorn Saelee, Annop Ektarawong, Björn Alling, Piyasan Praserthdam, Meena Rittiruam, Supareak Praserthdam (2025) Machine learning-accelerated density functional theory optimization of PtPd-based high-entropy alloys for hydrogen evolution catalysis International Journal of Minerals, Metallurgy and Materials, Vol. 32, s. 2777-2785 (Artikel i tidskrift) Vidare till DOI
Natthapong Jampaiboon, Chayanon Atthapak, Thiti Bovornratanaraks, Björn Alling, Annop Ektarawong (2025) Thermodynamic Consideration and Mechanical Behavior of Boride-Containing Solid Solutions of Hafnium-Yttrium-Boron System Revealed by a First-Principles Analysis Advanced Theory and Simulations (Artikel i tidskrift) Vidare till DOI
Annop Ektarawong, Chayanon Atthapak, Björn Alling (2025) Effect of titanium alloying and boron vacancies on thermodynamic stability and mechanical properties of tantalum diboride Physica Scripta, Vol. 100, Artikel 115904 (Artikel i tidskrift) Vidare till DOI
Umbertoluca Ranieri, Akun Liang, Charles Lamb, James Spender, Sarah Bolton, Andrey Aslandukov, Bernhard Massani, Ferenc Tasnadi, Pierre-Olivier Autran, James A. D. Ball, Angelika D. Rosa, Bihan Wang, Florian Trybel, Dominique Laniel (2025) High-Pressure Synthesis of Two Pb3(C3N6) Polymorphs Featuring Fully Deprotonated [C3N6]6- Melaminate Anions Journal of the American Chemical Society (Artikel i tidskrift) Vidare till DOI
Yuqing Yin, Leonid Dubrovinsky, Ferenc Tasnadi, Igor Abrikosov, Andrey Aslandukov, Alena Aslandukova, Fariia Iasmin Akbar, Wenju Zhou, Florian Knoop, Dominique Laniel, Anna Pakhomova, Timofey Fedotenko, Konstantin Glazyrin, Gaston Garbarino, Haixing Fang, Natalia Doubrovinckaia (2025) High-Pressure Mg3Cl7 Synthesized in a Diamond Anvil Cell as a Polar Metal with Second-Harmonic Generation Journal of the American Chemical Society, Vol. 147 (Artikel i tidskrift) Vidare till DOI
Marian Arale Brännvall (2025) Theoretical Modeling of Spin Dynamics, Magnetic Phase Transitions, and Spin-Lattice Coupling
Marian Arale Brännvall, Rickard Armiento, Björn Alling (2025) Predicting the Curie temperature in substitutionally disordered alloys using a first-principles based model Journal of Magnetism and Magnetic Materials, Vol. 630, Artikel 173361 (Artikel i tidskrift) Vidare till DOI
Tinnakorn Saelee, Sorawee Setasuban, Jakapob Noppakhun, Meena Rittiruam, Patcharaporn Khajondetchairit, Annop Ektarawong, Björn Alling, Rathawat Daengngern, Piyasan Praserthdam, Supareak Praserthdam (2025) Theoretical investigation on the role of external oxygen facilitating oxidative dehydrogenation of hydrogen sulfide on Fe-based oxide catalysts Fuel, Vol. 400, Artikel 135641 (Artikel i tidskrift) Vidare till DOI
Davide Sangiovanni, Adrian Kjellén, Florian Trybel, L. J. S. Johnson, Magnus Odén, Ferenc Tasnadi, Igor Abrikosov (2025) Controlled polymorphic competition - A path to tough and hard ceramics Acta Materialia, Vol. 294, Artikel 121121 (Artikel i tidskrift) Vidare till DOI

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