Quantum-mechanical Simulations of Interfaces in Advanced
Materials

C 2017

Quantum-mechanical Simulations of Interfaces in Advanced Materials

ŠOB, Mojmír

Základní údaje

Originální název

Quantum-mechanical Simulations of Interfaces in Advanced Materials

Autoři

ŠOB, Mojmír (203 Česká republika, garant, domácí)

Vydání

Ostrava, SUPERCOMPUTING IN SCIENCE AND ENGINEERING, od s. 174- 176, 3 s. 1st, 2017

Nakladatel

VŠB – Technical University of Ostrava

Další údaje

Jazyk

angličtina

Typ výsledku

Kapitola resp. kapitoly v odborné knize

Obor

10400 1.4 Chemical sciences

Stát vydavatele

Česká republika

Utajení

není předmětem státního či obchodního tajemství

Forma vydání

elektronická verze "online"

Odkazy

URL

Kód RIV

RIV/00216224:14740/17:00100288

Organizační jednotka

Středoevropský technologický institut

ISBN

978-80-248-4037-6

Klíčová slova anglicky

QUANTUM-MECHANICAL SIMULATIONS; ADVANCED MATERIALS

Štítky

rivok

Příznaky

Recenzováno

Změněno: 9. 3. 2018 15:31, Mgr. Pavla Foltynová, Ph.D.

Anotace

V originále

Our highly industrialised European society requires completely new types of materials with unprecedented properties. For example, materials that can operate at higher temperatures in energy conversion units (e.g. engine parts, turbine blades) would allow for their higher efficiency and, consequently, lower green-house-gas emissions and cleaner technologies. In order to meet a number of strict criteria and provide different properties, new materials will consist of a number of different phases coexisting in complex polycrystalline aggregates. When searching for and designing these new metallic alloys the key issue is their thermodynamic stability, which must be guaranteed even in the case of thermal and mechanical cycling loading. In order to properly address these conditions, the influence of internal interfaces between different grains as well as stresses and strains must be combined with traditional thermodynamic phenomenological modelling.

Návaznosti

LM2015085, projekt VaV

Název: CERIT Scientific Cloud (Akronym: CERIT-SC)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CERIT Scientific Cloud

LQ1601, projekt VaV

Název: CEITEC 2020 (Akronym: CEITEC2020)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CEITEC 2020

Citovat

ŠOB, Mojmír. Quantum-mechanical Simulations of Interfaces in Advanced Materials. Online. In Karina Pešatová, Barbora Poláková, John Cawley. SUPERCOMPUTING IN SCIENCE AND ENGINEERING. Ostrava: VŠB – Technical University of Ostrava, 2017, s. 174- 176. 1st. ISBN 978-80-248-4037-6.

@inbook{1410478,
   author = {Šob, Mojmír},
   address = {Ostrava},
   booktitle = {SUPERCOMPUTING IN SCIENCE AND ENGINEERING},
   editor = {Karina Pešatová, Barbora Poláková, John Cawley},
   keywords = {QUANTUM-MECHANICAL SIMULATIONS; ADVANCED MATERIALS},
   howpublished = {elektronická verze "online"},
   language = {eng},
   location = {Ostrava},
   isbn = {978-80-248-4037-6},
   pages = {174- 176},
   publisher = {VŠB – Technical University of Ostrava},
   title = {Quantum-mechanical Simulations of Interfaces in Advanced Materials},
   url = {https://www.it4i.cz/wp-content/uploads/2017/04/Supercomputing-in-Science-and-Engineering-reduce-preview.pdf},
   year = {2017}
}

TY  - CHAP
ID  - 1410478
AU  - Šob, Mojmír
PY  - 2017
TI  - Quantum-mechanical Simulations of Interfaces in Advanced Materials
VL  - 1st
PB  - VŠB – Technical University of Ostrava
CY  - Ostrava
SN  - 9788024840376
KW  - QUANTUM-MECHANICAL SIMULATIONS
KW  - ADVANCED MATERIALS
UR  - https://www.it4i.cz/wp-content/uploads/2017/04/Supercomputing-in-Science-and-Engineering-reduce-preview.pdf
L2  - https://www.it4i.cz/wp-content/uploads/2017/04/Supercomputing-in-Science-and-Engineering-reduce-preview.pdf
N2  - Our highly industrialised European society requires completely new types of materials with unprecedented properties. For example, materials that can operate at higher temperatures in energy conversion units (e.g. engine parts, turbine blades) would allow for their higher efficiency and, consequently, lower green-house-gas emissions and cleaner technologies. In order to meet a number of strict criteria and provide different properties, new materials will consist of a number of different phases coexisting in complex polycrystalline aggregates. When searching for and designing these new metallic alloys the key issue is their thermodynamic stability, which must be guaranteed even in the case of thermal and mechanical cycling loading. In order to properly address these conditions, the influence of internal interfaces between different grains as well as stresses and strains must be combined with traditional thermodynamic phenomenological modelling.
ER  -

ŠOB, Mojmír. Quantum-mechanical Simulations of Interfaces in Advanced Materials. Online. In Karina Pešatová, Barbora Poláková, John Cawley. \textit{SUPERCOMPUTING IN SCIENCE AND ENGINEERING}. Ostrava: VŠB – Technical University of Ostrava, 2017, s.~174- 176. 1st. ISBN~978-80-248-4037-6.

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