Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Simak, Sergey"'
Autor:
Errandonea, Daniel, Burakovsky, Leonid, Preston, Dean L., MacLeod, Simon G., Santamaria-Perez, David, Chen, Shaoping, Cynn, Hyunchae, Simak, Sergey I., McMahon, Malcolm I., Proctor, John E., Mezouar, Mohamed
Publikováno v:
COMMUNICATIONS MATERIALS (2020) 1:60
Compared to other body-centered cubic (bcc) transition metals Nb has been the subject of fewer compression studies and there are still aspects of its phase diagram which are unclear. Here, we report a combined theoretical and experimental study of Nb
Externí odkaz:
http://arxiv.org/abs/2401.13818
Autor:
Spektor, Kristina, Crichton, Wilson A., Filippov, Stanislav, Klarbring, Johan, Simak, Sergey, Fischer, Andreas, Haussermann, Ulrich
The Na-Ni-H system was investigated by in situ synchrotron diffraction studies of reaction mixtures NaH-Ni-H-2 at around 5, 10, and 12 GPa. The existence of ternary hydrogen-rich hydrides with compositions Na3NiH5 and NaNiH3, where Ni attains the oxi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::7bdb1127154926406b9f0cc119cb321b
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-165956
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-165956
Autor:
Ekström, Erik, Le Febvrier, Arnaud, Bourgeois, F., Lundqvist, Björn, Palisaitis, Justinas, Persson, Per O A, Caballero-Calero, O., Martin-Gonzalez, M. S., Klarbring, Johan, Simak, Sergey, Eriksson, Fredrik, Paul, Biplab, Eklund, Per
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
CaMnNbO (x = 0, 0.5, 0.6, 0.7 and 0.10) thin films have been grown by a two-step sputtering/annealing method. First, rock-salt-structured (Ca,Mn,Nb)O thin films were deposited on 1100 sapphire using reactive RF magnetron co-sputtering from elemental
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::84c61e77a9ee519522cad1b361d789d0
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-165095
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-165095
Autor:
Skripnyak, Natalia, Tasnadi, Ferenc, Simak, Sergey, Ponomareva, A. V., Lofstrand, J., Berastegui, P., Jansson, U., Abrikosov, Igor
Body centered cubic (bcc) Ti-based alloys are of interest for multiple technological applications ranging from aerospace technology to biomedicine. However, these alloys are usually unstable at low temperatures. Indeed, the calculated elastic modulus
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::c24b176de7dc21692a7cbaad744f149c
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-425862
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-425862
Publikováno v:
Results in Physics, Vol 13, Iss, Pp-(2019)
ScMN2-type (M = V, Nb, Ta) phases are layered materials that have been experimentally reported for M = Ta and Nb, but their high-pressure properties have not been studied. Here, we have used first-principles calculations to study their thermodynamic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::dd4366f79f37bbb56de8b5056cabf2e4
http://www.sciencedirect.com/science/article/pii/S2211379719307557
http://www.sciencedirect.com/science/article/pii/S2211379719307557
Autor:
Eklof, Daniel, Fischer, Andreas, Ektarawong, Annop, Jaworski, Aleksander, Pell, Andrew J., Grins, Jekabs, Simak, Sergey, Alling, Björn, Wu, Yang, Widom, Michael, Scherer, Wolfgang, Haussermann, Ulrich
Binary silicon boride SiB3 has been reported to occur in two forms, as disordered and nonstoichiometric alpha-SiB3-x, which relates to the alpha-rhombohedral phase of boron, and as strictly ordered and stoichiometric beta-SiB3. Similar to other boron
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::09ce5777b342bec2897dcd8d55e06801
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-162525
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-162525
Lithium carbide, Li2C2, is a fascinating material that combines strong covalent and weak ionic bonding resulting in a wide range of unusual properties. The mechanism of its phase transition from the ground-state orthorhombic (Immm) to the high-temper
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::dd8e1fca0bd74d5bc40c90d6f1ef4efa
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-155002
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-155002
In this work, we discuss the mixing thermodynamics of cubic (B1) Ti1-xAlxN/TiN(001) multilayers. We show that interfacial effects suppress the mixing enthalpy compared to bulk Ti1-xAlxN. The strongest stabilization occurs for compositions in which th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::23d31ba03ab85a15cb404c445c6d7a16
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-129166
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-129166
We investigate the thermodynamic stability of carbon-rich icosahedral boron carbide at different compositions, ranging from B4C to B2C, using first-principles calculations. Apart fromB4C, generally addressed in the literature, B2.5C, represented by B
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______261::7c3a6b7b30969a4de13b7e9f67565212
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-131508
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-131508