Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Anton S. Bochkarev"'
Autor:
Suzanne K. Wallace, Ambroise van Roekeghem, Anton S. Bochkarev, Javier Carrasco, Alexander Shapeev, Natalio Mingo
Publikováno v:
Physical Review Research, Vol 3, Iss 1, p 013139 (2021)
Accurate knowledge of phase coexistence regions, i.e., solubility gaps (SGs), is key to the development of mixed transition metal oxides for various applications, such as thermochemical energy storage, or catalysis. However, predicting a SG from firs
Externí odkaz:
https://doaj.org/article/cc148de05c5242dd98708766e0d17703
Autor:
Michel Bosman, Alexander L. Shluger, Maxim N. Popov, Emilia Olsson, Jürgen Spitaler, Kamal Patel, Jonathon Cottom, M Munde, Anton S. Bochkarev
Publikováno v:
ACS Applied Materials & Interfaces. 11:36232-36243
Silica-based resistive random access memory devices have become an active research area due to complementary metal–oxide–semiconductor compatibility and recent dramatic increases in their performan...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::16d4aad1b8e30e85bbb5a4dd5a5365d9
https://doi.org/10.1021/acsami.9b10705
https://doi.org/10.1021/acsami.9b10705
Autor:
Alexander V. Shapeev, Natalio Mingo, Anton S. Bochkarev, Ambroise van Roekeghem, Javier Carrasco, Suzanne K. Wallace
Publikováno v:
Physical Review Materials. 5
(CoxMn1-x)3O4 is a promising candidate material for solar thermochemical energy storage. A high-temperature model for this system would provide a valuable tool for evaluating its potential. However, predicting phase diagrams of complex systems with a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a71f417a0b68437d7448a3b5bc493845
https://doi.org/10.1103/physrevmaterials.5.035402
https://doi.org/10.1103/physrevmaterials.5.035402
Publikováno v:
Acta Materialia. 144:496-504
Diffusion of impurities along grain boundaries of compound materials is of high relevance for multiple practical applications. In this work, we perform a case study of Cu-impurity diffusion along the special coincident site lattice model Σ 5 (012)[1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f47420355f462b4eb5078c0c729baeb4
https://doi.org/10.1016/j.actamat.2017.11.005
https://doi.org/10.1016/j.actamat.2017.11.005
Publikováno v:
Physical Review Materials
Physical Review Materials, American Physical Society, 2019, 3 (9), ⟨10.1103/PhysRevMaterials.3.093803⟩
Physical Review Materials, 2019, 3 (9), ⟨10.1103/PhysRevMaterials.3.093803⟩
Physical Review Materials, American Physical Society, 2019, 3 (9), ⟨10.1103/PhysRevMaterials.3.093803⟩
Physical Review Materials, 2019, 3 (9), ⟨10.1103/PhysRevMaterials.3.093803⟩
Lattice anharmonicity is thought to strongly affect vacancy concentrations in metals at high temperatures. It is however non-trivial to account for this effect directly using density functional theory (DFT). Here we develop a deep neural network pote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e334cb6ab49c5713d913a78d160abf10
https://doi.org/10.1103/physrevmaterials.3.093803
https://doi.org/10.1103/physrevmaterials.3.093803
Autor:
Xavier Cartoixà, Miquel López-Suárez, Martí Raya-Moreno, Jesús Carrete, Georg K. H. Madsen, Miquel Royo, Natalio Mingo, Riccardo Rurali, Anton S. Bochkarev
Publikováno v:
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
Digital.CSIC. Repositorio Institucional del CSIC
instname
Universitat Autònoma de Barcelona
Digital.CSIC. Repositorio Institucional del CSIC
instname
We combine state-of-the-art Green's-function methods and nonequilibrium molecular dynamics calculations to study phonon transport across the unconventional interfaces that make up crystal-phase and twinning superlattices in nanowires. We focus on two
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75317343d4eb2451ac10593a97368ad8
https://ddd.uab.cat/record/223852
https://ddd.uab.cat/record/223852
Autor:
Sergiy Zamulko, Peter Puschnig, Andrei V. Ruban, Sergey I. Sidorenko, Anton S. Bochkarev, Oleg I. Gorbatov
Publikováno v:
EPL (Europhysics Letters). 116:16001
The vacancy formation Gibbs free energy, enthalpy and entropy in fcc Al, Ag, Pd, Cu, and bcc Mo are determined by first-principles calculations using the quasi-harmonic approximation to account for vibrational contributions. We show that the Gibbs fr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b449640394e8dee1c805183d590fd709
https://doi.org/10.1209/0295-5075/116/16001
https://doi.org/10.1209/0295-5075/116/16001
Autor:
Hong Ding, Peter Puschnig, Nina Schalk, Livia Chitu, Maxim N. Popov, Francisca Mendez-Martin, Marlene Mühlbacher, Christian Mitterer, Jürgen Spitaler, Jun Lu, Bernhard Sartory, Anton S. Bochkarev, Lars Hultman
Publikováno v:
Journal of Applied Physics. 118:085307
Dense single-crystal and polycrystalline TiN/Cu stacks were prepared by unbalanced DC magnetron sputter deposition at a substrate temperature of 700 °C and a pulsed bias potential of −100 V. The microstructural variation was achieved by using two
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df2bfbc517d3a4d58d7ca2176bc8ed2b
https://doi.org/10.1063/1.4929446
https://doi.org/10.1063/1.4929446