Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Monika Všianská"'
Publikováno v:
Metals, Vol 12, Iss 8, p 1389 (2022)
There are two sources of quantitative data on grain boundary segregation: careful experimental results and calculated data. These values can be compared in various ways. Here we show a comparison of average concentrations of silicon, vanadium, and ti
Externí odkaz:
https://doaj.org/article/7d857fb20a51495db0574f01fb62eaf0
Publikováno v:
Science and Technology of Advanced Materials, Vol 18, Iss 1, Pp 273-282 (2017)
Grain boundaries (GBs) represent one of the most important types of defects in solids and their instability leads to catastrophic failures in materials. Grain boundaries are challenging for theoretical studies because of their distorted atomic struct
Externí odkaz:
https://doaj.org/article/029039f19c614881b5745775338c8f97
Publikováno v:
Nanomaterials, Vol 10, Iss 4, p 767 (2020)
We present a quantum-mechanical study of silver decahedral nanoclusters and nanoparticles containing from 1 to 181 atoms in their static atomic configurations corresponding to the minimum of the ab initio computed total energies. Our thermodynamic an
Externí odkaz:
https://doaj.org/article/0645567189b343ea9c4c2e0dee647091
Publikováno v:
Nanomaterials, Vol 10, Iss 4, p 691 (2020)
This work presents a comprehensive and detailed ab initio study of interactions between the tilt Σ5(210) grain boundary (GB), impurities X (X = Al, Si) and vacancies (Va) in ferromagnetic fcc nickel. To obtain reliable results, two methods of struct
Externí odkaz:
https://doaj.org/article/da8c34fcdab84ae6a0fb9180405ffc13
Autor:
Martin Friák, Vilma Buršíková, Naděžda Pizúrová, Jana Pavlů, Yvonna Jirásková, Vojtěch Homola, Ivana Miháliková, Anton Slávik, David Holec, Monika Všianská, Nikola Koutná, Jan Fikar, Dušan Janičkovič, Mojmír Šob, Jörg Neugebauer
Publikováno v:
Crystals, Vol 9, Iss 6, p 299 (2019)
We combine theoretical and experimental tools to study elastic properties of Fe-Al-Ti superalloys. Focusing on samples with chemical composition Fe71Al22Ti7, we use transmission electron microscopy (TEM) to detect their two-phase superalloy nano-stru
Externí odkaz:
https://doaj.org/article/4a6cb541c5cf400d9c9d58e4de36e13a
Publikováno v:
Nanomaterials, Vol 8, Iss 11, p 873 (2018)
We present an ab initio and atomistic study of the stress-strain response and elastic stability of the ordered Fe 3 Al compound with the D0 3 structure and a disordered Fe-Al solid solution with 18.75 at.% Al as well as of a nanocomposite consisting
Externí odkaz:
https://doaj.org/article/f96170a4cfd14325bedacbbc7bb49bd8
Publikováno v:
Computational Materials Science. 216:111858
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e2749e418ee807c0c5772af9d0550ca9
https://doi.org/10.1016/j.commatsci.2022.111858
https://doi.org/10.1016/j.commatsci.2022.111858
Publikováno v:
Journal of Magnetism and Magnetic Materials. 474:273-281
By means of the first-principles calculations we investigate the magnetic properties of four low-index surfaces in the bulk nonmagnetic Ni3Ge intermetallic compound with the L12 structure. We predict that the (1 1 1) surface of Ni3Ge is magnetically
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11b943e9a8b884aafba0b278611a659a
https://doi.org/10.1016/j.jmmm.2018.11.055
https://doi.org/10.1016/j.jmmm.2018.11.055
Autor:
Aleš Kroupa, Martin Friák, Adéla Zemanová, Jiří Kaštil, Martin Míšek, Zdeněk Arnold, Jana Pavlů, Ilja Turek, Monika Všianská, Martina Mazalová, Martin Zelený, J. Kamarád, Mojmír Šob, Oldřich Schneeweiss
Publikováno v:
Materials
Materials . 2021, vol. 14, issue 3, p. 523--.
Volume 14
Issue 3
Materials, Vol 14, Iss 523, p 523 (2021)
Materials . 2021, vol. 14, issue 3, p. 523--.
Volume 14
Issue 3
Materials, Vol 14, Iss 523, p 523 (2021)
We have performed a quantum-mechanical study of a series of stoichiometric Ni2MnSn structures focusing on pressure-induced changes in their magnetic properties. Motivated by the facts that (i) our calculations give the total magnetic moment of the de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee2aa7420ad2e0dbc89f55782682b6bd
http://europepmc.org/articles/PMC7865924
http://europepmc.org/articles/PMC7865924
Publikováno v:
Materials, Vol 13, Iss 4884, p 4884 (2020)
Materials
Volume 13
Issue 21
Materials . 2020, vol. 13, issue 21, p. 1-13.
Materials
Volume 13
Issue 21
Materials . 2020, vol. 13, issue 21, p. 1-13.
We performed a quantum-mechanical study of the effect of antiphase boundaries (APBs) on structural, magnetic and vibrational properties of Fe3Al compound. The studied APBs have the {001} crystallographic orientation of their sharp interfaces and they
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2d32bac6423867789d69b8205d1c469
https://www.mdpi.com/1996-1944/13/21/4884
https://www.mdpi.com/1996-1944/13/21/4884