schliessen

Filtern

 

Bibliotheken

Temperature-dependent elastic stiffness constants of - and -al 2 o 3 from first-principles calculations

Temperature-dependent elastic stiffness constants ( c ij s), including both the isothermal and isoentropic ones, have been predicted for rhombohedral -Al 2 O 3 and monoclinic -Al 2 O 3 in terms of a quasistatic approach, i.e., a combination of volume-dependent c ij s determined by a first-principles... Full description

Journal Title: Journal of Physics: Condensed Matter 2010, Vol.22(37), p.375403 (8pp)
Main Author: Shang, Shun-Li
Other Authors: Zhang, Hui , Wang, Yi , Liu, Zi-Kui
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: ISSN: 0953-8984 ; E-ISSN: 1361-648X ; DOI: 10.1088/0953-8984/22/37/375403
Link: http://dx.doi.org/10.1088/0953-8984/22/37/375403
Zum Text:
SendSend as email Add to Book BagAdd to Book Bag
Staff View
recordid: iop10.1088/0953-8984/22/37/375403
title: Temperature-dependent elastic stiffness constants of - and -al 2 o 3 from first-principles calculations
format: Article
creator:
  • Shang, Shun-Li
  • Zhang, Hui
  • Wang, Yi
  • Liu, Zi-Kui
subjects:
  • Thermal Barrier Coatings
  • Stiffness
  • Constants
  • Condensed Matter
  • Strain
  • Elastic Constants
  • Gas Turbine Engines
  • Mathematical Analysis
  • General (Wc)
  • Condensed Matter Physics (General) (So)
  • Mechanical Properties (AI)
ispartof: Journal of Physics: Condensed Matter, 2010, Vol.22(37), p.375403 (8pp)
description: Temperature-dependent elastic stiffness constants ( c ij s), including both the isothermal and isoentropic ones, have been predicted for rhombohedral -Al 2 O 3 and monoclinic -Al 2 O 3 in terms of a quasistatic approach, i.e., a combination of volume-dependent c ij s determined by a first-principles strain versus stress method and direction-dependent thermal expansions obtained by first-principles phonon calculations. A good agreement is observed between the predictions and the available experiments for -Al 2 O 3 , especially for the off-diagonal elastic constants. In addition, the temperature-dependent c ij s predicted herein, in particular the ones for metastable -Al 2 O 3 , enable the stress analysis at elevated temperatures in thermally grown oxides containing - and -Al 2 O 3 , which are crucial to understand the failure of thermal barrier coatings in gas-turbine engines.
language: eng
source:
identifier: ISSN: 0953-8984 ; E-ISSN: 1361-648X ; DOI: 10.1088/0953-8984/22/37/375403
fulltext: fulltext
issn:
  • 0953-8984
  • 1361-648X
  • 09538984
  • 1361648X
url: Link


@attributes
ID285805273
RANK0.07
NO1
SEARCH_ENGINEprimo_central_multiple_fe
SEARCH_ENGINE_TYPEPrimo Central Search Engine
LOCALfalse
PrimoNMBib
record
control
sourcerecordid10.1088/0953-8984/22/37/375403
sourceidiop
recordidTN_iop10.1088/0953-8984/22/37/375403
sourcesystemPC
pqid1671280372
display
typearticle
titleTemperature-dependent elastic stiffness constants of - and -al 2 o 3 from first-principles calculations
creatorShang, Shun-Li ; Zhang, Hui ; Wang, Yi ; Liu, Zi-Kui
ispartofJournal of Physics: Condensed Matter, 2010, Vol.22(37), p.375403 (8pp)
identifier
descriptionTemperature-dependent elastic stiffness constants ( c ij s), including both the isothermal and isoentropic ones, have been predicted for rhombohedral -Al 2 O 3 and monoclinic -Al 2 O 3 in terms of a quasistatic approach, i.e., a combination of volume-dependent c ij s determined by a first-principles strain versus stress method and direction-dependent thermal expansions obtained by first-principles phonon calculations. A good agreement is observed between the predictions and the available experiments for -Al 2 O 3 , especially for the off-diagonal elastic constants. In addition, the temperature-dependent c ij s predicted herein, in particular the ones for metastable -Al 2 O 3 , enable the stress analysis at elevated temperatures in thermally grown oxides containing - and -Al 2 O 3 , which are crucial to understand the failure of thermal barrier coatings in gas-turbine engines.
languageeng
source
subjectThermal Barrier Coatings ; Stiffness ; Constants ; Condensed Matter ; Strain ; Elastic Constants ; Gas Turbine Engines ; Mathematical Analysis ; General (Wc) ; Condensed Matter Physics (General) (So) ; Mechanical Properties (AI);
version5
lds50peer_reviewed
links
openurl$$Topenurl_article
backlink$$Uhttp://dx.doi.org/10.1088/0953-8984/22/37/375403$$EView_record_in_IOPscience
openurlfulltext$$Topenurlfull_article
search
creatorcontrib
0Shang, Shun-Li
1Zhang, Hui
2Wang, Yi
3Liu, Zi-Kui
title
0Temperature-dependent elastic stiffness constants of - and -Al 2 O 3 from first-principles calculations
1Temperature-dependent elastic stiffness constants of alpha-and theta-Al2O3 from first-principles calculations
descriptionTemperature-dependent elastic stiffness constants ( c ij s), including both the isothermal and isoentropic ones, have been predicted for rhombohedral -Al 2 O 3 and monoclinic -Al 2 O 3 in terms of a quasistatic approach, i.e., a combination of volume-dependent c ij s determined by a first-principles strain versus stress method and direction-dependent thermal expansions obtained by first-principles phonon calculations. A good agreement is observed between the predictions and the available experiments for -Al 2 O 3 , especially for the off-diagonal elastic constants. In addition, the temperature-dependent c ij s predicted herein, in particular the ones for metastable -Al 2 O 3 , enable the stress analysis at elevated temperatures in thermally grown oxides containing - and -Al 2 O 3 , which are crucial to understand the failure of thermal barrier coatings in gas-turbine engines.
general
010.1088/0953-8984/22/37/375403
1English
2IOPscience (IOP Publishing)
3Journal Of Physics: Condensed Matter
sourceidiop
recordidiop10.1088/0953-8984/22/37/375403
issn
00953-8984
11361-648X
209538984
31361648X
rsrctypearticle
creationdate2010
recordtypearticle
addtitleJournal of Physics: Condensed Matter
searchscope
0iop_rs
1iop
scope
0iop_rs
1iop
lsr30VSR-Enriched:[pqid, subject, pages]
sort
titleTemperature-dependent elastic stiffness constants of - and -al 2 o 3 from first-principles calculations
creationdate20100922
authorShang, Shun-Li ; Zhang, Hui ; Wang, Yi ; Liu, Zi-Kui
facets
frbrgroupid8836753822256306349
frbrtype5
languageeng
creationdate2010
collectionIOPscience (Institute of Physics)
prefilterarticles
rsrctypearticles
creatorcontrib
0Shang, Shun-Li
1Zhang, Hui
2Wang, Yi
3Liu, Zi-Kui
jtitleJournal Of Physics: Condensed Matter
toplevelpeer_reviewed
delivery
delcategoryRemote Search Resource
fulltextfulltext
addata
aulast
0Shang
1Zhang
2Wang
3Liu
aufirst
0Shun-Li
1Hui
2Yi
3Zi-Kui
au
0Shang, Shun-Li
1Zhang, Hui
2Wang, Yi
3Liu, Zi-Kui
atitleTemperature-dependent elastic stiffness constants of - and -Al 2 O 3 from first-principles calculations
jtitleJournal of Physics: Condensed Matter
stitleTemperature-dependent elastic stiffness constants of alpha-and theta-Al2O3 from first-principles calculations
risdate20100922
volume22
issue37
spage375403
pages375403
issn0953-8984
eissn1361-648X
formatjournal
genrearticle
ristypeJOUR
abstractTemperature-dependent elastic stiffness constants ( c ij s), including both the isothermal and isoentropic ones, have been predicted for rhombohedral -Al 2 O 3 and monoclinic -Al 2 O 3 in terms of a quasistatic approach, i.e., a combination of volume-dependent c ij s determined by a first-principles strain versus stress method and direction-dependent thermal expansions obtained by first-principles phonon calculations. A good agreement is observed between the predictions and the available experiments for -Al 2 O 3 , especially for the off-diagonal elastic constants. In addition, the temperature-dependent c ij s predicted herein, in particular the ones for metastable -Al 2 O 3 , enable the stress analysis at elevated temperatures in thermally grown oxides containing - and -Al 2 O 3 , which are crucial to understand the failure of thermal barrier coatings in gas-turbine engines.
doi10.1088/0953-8984/22/37/375403
date2010-09-22