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01998nam a2200373 c 4500 |
| 001 |
22-105-qucosa2-315017 |
| 007 |
cr |
| 008 |
2018 eng |
| 037 |
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|a urn:nbn:de:bsz:105-qucosa2-315017
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| 041 |
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|a eng
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| 082 |
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|a 540
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| 100 |
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|a Amirkhanyan, Lilit
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| 245 |
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|a Thermodynamic properties of intermetallics
|b Surfaces and interfaces
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| 336 |
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|b txt
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| 338 |
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|b nc
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| 533 |
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|a Online-Ausg.
|d 2018
|e Online-Ressource (Text)
|f Technische Universität Bergakademie Freiberg
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| 502 |
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|b Dissertation
|c TU Bergakademie Freiberg
|d 2017
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| 520 |
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|a In this dissertation, intermetallic phases Fe2Al5, Fe5Al8, Al3FeSi2 have been studied using density functional theory (DFT). The theoretical methods allow for parameter-free predictions without any experimental input of thermodynamical data like specific heat or phase stabilities. Such information is of great interest to thermodynamical modelling. Another strength of DFT is the possibility to investigate chemical reactions as demonstrated in case of the formation of hercynite (Fe2AlO4) in a solid-state reaction of corundum (α - Al2O3) and iron. Further, the Al2O3 surface energies of various planes were investigated. In addition, interfaces, which are of experimental interest within CRC 920, were modelled: α - Al2O3 (0001) || Al(111), TiO2 (rutile) || MgTiO3 (geikielite) and α - Al2O3 (corundum).
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| 650 |
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|a Intermetallics
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| 650 |
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|a Specific Heat
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| 650 |
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|a Surface And Interface Energies
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| 650 |
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|a Intermetallische Verbindungen
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| 650 |
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|a Eisen
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| 650 |
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|a Aluminium
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| 650 |
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|a Silicium
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| 650 |
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|a Dichtefunktionalformalismus
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| 650 |
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|a Oberflächenspannung
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| 655 |
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|a Hochschulschrift
|2 gnd-content
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| 700 |
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|a Kortus, Jens
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| 700 |
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|a Kortus, Jens
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| 700 |
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|a Leineweber, Andreas
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| 856 |
4 |
0 |
|q text/html
|u https://nbn-resolving.org/urn:nbn:de:bsz:105-qucosa2-315017
|z Online-Zugriff
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| 935 |
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|c hs
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| 980 |
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|a 105-qucosa2-315017
|b 22
|c sid-22-col-qucosa
|
SOLR
| _version_ |
1797365273093734400 |
| author |
Amirkhanyan, Lilit |
| author2 |
Kortus, Jens, Kortus, Jens, Leineweber, Andreas |
| author2_role |
, , |
| author2_variant |
j k jk, j k jk, a l al |
| author_facet |
Amirkhanyan, Lilit, Kortus, Jens, Kortus, Jens, Leineweber, Andreas |
| author_role |
|
| author_sort |
Amirkhanyan, Lilit |
| author_variant |
l a la |
| building |
Library A |
| collection |
sid-22-col-qucosa |
| contents |
In this dissertation, intermetallic phases Fe2Al5, Fe5Al8, Al3FeSi2 have been studied using density functional theory (DFT). The theoretical methods allow for parameter-free predictions without any experimental input of thermodynamical data like specific heat or phase stabilities. Such information is of great interest to thermodynamical modelling. Another strength of DFT is the possibility to investigate chemical reactions as demonstrated in case of the formation of hercynite (Fe2AlO4) in a solid-state reaction of corundum (α - Al2O3) and iron. Further, the Al2O3 surface energies of various planes were investigated. In addition, interfaces, which are of experimental interest within CRC 920, were modelled: α - Al2O3 (0001) || Al(111), TiO2 (rutile) || MgTiO3 (geikielite) and α - Al2O3 (corundum). |
| dewey-full |
540 |
| dewey-hundreds |
500 - Natural sciences and mathematics |
| dewey-ones |
540 - Chemistry and allied sciences |
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540 |
| dewey-search |
540 |
| dewey-sort |
3540 |
| dewey-tens |
540 - Chemistry and allied sciences |
| facet_avail |
Online, Free |
| finc_class_facet |
Chemie und Pharmazie |
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science-chemistry |
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eBook, Thesis |
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Thesis |
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Thesis, Book, E-Book |
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Thesis, Book, E-Book |
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Buch, Buch |
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text-online-monograph-independent-thesis |
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e-Book |
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Book, E-Book, Thesis |
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Thesis, Book |
| format_legacy_nrw |
Thesis, Book, E-Book |
| format_nrw |
Thesis, Book, E-Book |
| format_strict_txtF_mv |
E-Thesis |
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Hochschulschrift gnd-content |
| genre_facet |
Hochschulschrift |
| geogr_code |
not assigned |
| geogr_code_person |
not assigned |
| id |
22-105-qucosa2-315017 |
| illustrated |
Not Illustrated |
| imprint |
Online-Ausg., 2018 |
| imprint_str_mv |
Online-Ausg.: 2018 |
| institution |
DE-105, DE-Gla1, DE-Brt1, DE-D161, DE-540, DE-Pl11, DE-Rs1, DE-Bn3, DE-Zi4, DE-Zwi2, DE-D117, DE-Mh31, DE-D275, DE-Ch1, DE-15, DE-D13, DE-L242, DE-L229, DE-L328 |
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| is_hierarchy_title |
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| language |
English |
| last_indexed |
2024-04-26T03:11:37.572Z |
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amirkhanyan2018thermodynamicpropertiesofintermetallicssurfacesandinterfaces |
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Qucosa |
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2018 |
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marcfinc |
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105-qucosa2-315017 |
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marcfinc |
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22 |
| spelling |
Amirkhanyan, Lilit, Thermodynamic properties of intermetallics Surfaces and interfaces, txt, nc, Online-Ausg. 2018 Online-Ressource (Text) Technische Universität Bergakademie Freiberg, Dissertation TU Bergakademie Freiberg 2017, In this dissertation, intermetallic phases Fe2Al5, Fe5Al8, Al3FeSi2 have been studied using density functional theory (DFT). The theoretical methods allow for parameter-free predictions without any experimental input of thermodynamical data like specific heat or phase stabilities. Such information is of great interest to thermodynamical modelling. Another strength of DFT is the possibility to investigate chemical reactions as demonstrated in case of the formation of hercynite (Fe2AlO4) in a solid-state reaction of corundum (α - Al2O3) and iron. Further, the Al2O3 surface energies of various planes were investigated. In addition, interfaces, which are of experimental interest within CRC 920, were modelled: α - Al2O3 (0001) || Al(111), TiO2 (rutile) || MgTiO3 (geikielite) and α - Al2O3 (corundum)., Intermetallics, Specific Heat, Surface And Interface Energies, Intermetallische Verbindungen, Eisen, Aluminium, Silicium, Dichtefunktionalformalismus, Oberflächenspannung, Hochschulschrift gnd-content, Kortus, Jens, Leineweber, Andreas, text/html https://nbn-resolving.org/urn:nbn:de:bsz:105-qucosa2-315017 Online-Zugriff |
| spellingShingle |
Amirkhanyan, Lilit, Thermodynamic properties of intermetallics: Surfaces and interfaces, In this dissertation, intermetallic phases Fe2Al5, Fe5Al8, Al3FeSi2 have been studied using density functional theory (DFT). The theoretical methods allow for parameter-free predictions without any experimental input of thermodynamical data like specific heat or phase stabilities. Such information is of great interest to thermodynamical modelling. Another strength of DFT is the possibility to investigate chemical reactions as demonstrated in case of the formation of hercynite (Fe2AlO4) in a solid-state reaction of corundum (α - Al2O3) and iron. Further, the Al2O3 surface energies of various planes were investigated. In addition, interfaces, which are of experimental interest within CRC 920, were modelled: α - Al2O3 (0001) || Al(111), TiO2 (rutile) || MgTiO3 (geikielite) and α - Al2O3 (corundum)., Intermetallics, Specific Heat, Surface And Interface Energies, Intermetallische Verbindungen, Eisen, Aluminium, Silicium, Dichtefunktionalformalismus, Oberflächenspannung, Hochschulschrift |
| title |
Thermodynamic properties of intermetallics: Surfaces and interfaces |
| title_auth |
Thermodynamic properties of intermetallics Surfaces and interfaces |
| title_full |
Thermodynamic properties of intermetallics Surfaces and interfaces |
| title_fullStr |
Thermodynamic properties of intermetallics Surfaces and interfaces |
| title_full_unstemmed |
Thermodynamic properties of intermetallics Surfaces and interfaces |
| title_short |
Thermodynamic properties of intermetallics |
| title_sort |
thermodynamic properties of intermetallics surfaces and interfaces |
| title_sub |
Surfaces and interfaces |
| title_unstemmed |
Thermodynamic properties of intermetallics: Surfaces and interfaces |
| topic |
Intermetallics, Specific Heat, Surface And Interface Energies, Intermetallische Verbindungen, Eisen, Aluminium, Silicium, Dichtefunktionalformalismus, Oberflächenspannung, Hochschulschrift |
| topic_facet |
Intermetallics, Specific Heat, Surface And Interface Energies, Intermetallische Verbindungen, Eisen, Aluminium, Silicium, Dichtefunktionalformalismus, Oberflächenspannung, Hochschulschrift |
| url |
https://nbn-resolving.org/urn:nbn:de:bsz:105-qucosa2-315017 |
| urn |
urn:nbn:de:bsz:105-qucosa2-315017 |
| work_keys_str_mv |
AT amirkhanyanlilit thermodynamicpropertiesofintermetallicssurfacesandinterfaces, AT kortusjens thermodynamicpropertiesofintermetallicssurfacesandinterfaces, AT leineweberandreas thermodynamicpropertiesofintermetallicssurfacesandinterfaces |
