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J-GLOBAL ID：201302281257966902   Reference number：13A0611968

Temperature and pressure dependent geometry optimization and elastic constant calculations for arbitrary symmetry crystals: Applications to MgSiO3 perovskites

任意の対称性をもつ結晶の温度および圧力依存形状最適化と弾性係数の計算 MgSiO3ペロブスカイトへの応用
Author (5)：
WEN Bin

About WEN Bin

(State Key Lab. of Metastable Materials Sci. and Technol., Yanshan Univ., Qinhuangdao 066004, CHN)

About State Key Lab. of Metastable Materials Sci. and Technol., Yanshan Univ., Qinhuangdao 066004, CHN

, 
SHAO Tianjiao

About SHAO Tianjiao

(School of Materials Sci. and Engineering, Dalian Univ. of Technol., Dalian 116023, CHN)

About School of Materials Sci. and Engineering, Dalian Univ. of Technol., Dalian 116023, CHN

, 
MELNIK Roderick

About MELNIK Roderick

(M2NeT Lab, Wilfrid Laurier Univ., Waterloo, 75 Univ. Ave. West, Ontario N2L 3C5, CAN)

About M2NeT Lab, Wilfrid Laurier Univ., Waterloo, 75 Univ. Ave. West, Ontario N2L 3C5, CAN

, 
KAWAZOE Yoshiyuki

About KAWAZOE Yoshiyuki

(Inst. for Materials Res., Tohoku Univ., 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, JPN)

About Inst. for Materials Res., Tohoku Univ., 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, JPN

, 
TIAN Yongjun

About TIAN Yongjun

(State Key Lab. of Metastable Materials Sci. and Technol., Yanshan Univ., Qinhuangdao 066004, CHN)

About State Key Lab. of Metastable Materials Sci. and Technol., Yanshan Univ., Qinhuangdao 066004, CHN


Material：
Journal of Applied Physics  (Journal of General Physics and its Application to Other Sciences and to Industry)

About Journal of Applied Physics


Volume： 113  Issue： 10  Page： 103501-103501-12  Publication year： Mar. 14, 2013 
JST Material Number： C0266A  ISSN： 0021-8979  CODEN： JAPIAU  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)
Thesaurus term：
Thesaurus term/Semi thesaurus term
Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
crystal

About crystal

, 
crystal system

About crystal system

, 
*lattice constant

About lattice constant

, 
*elastic modulus

About elastic modulus

, 
phonon dispersion

About phonon dispersion

, 
state density

About state density

, 
thermal expansion coefficient

About thermal expansion coefficient

, 
temperature dependence

About temperature dependence

, 
pressure effect

About pressure effect

, 
*magnesium silicate

About magnesium silicate

, 
density functional method

About density functional method

, 
numerical calculation

About numerical calculation

, 
deformation potential

About deformation potential

, 
Gibbs free energy

About Gibbs free energy


Semi thesaurus term：
Thesaurus term/Semi thesaurus term
Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
phonon density of state

About phonon density of state


JST classification (3)：
JST classification
Category name(code) classified by JST.
Mechanical properties of solids in general 
(BL01021C)

About Mechanical properties of solids in general

,  Phonons and lattice vibrations in crystals 
(BL03020Z)

About Phonons and lattice vibrations in crystals

,  Other thermal properties of non-metals 
(BL05040J)

About Other thermal properties of non-metals

Terms in the title (9)：
Terms in the title
Keywords automatically extracted from the title.
対称性

About 対称性

, 
結晶

About 結晶

, 
圧力依存

About 圧力依存

, 
形状最適化

About 形状最適化

, 
弾性係数

About 弾性係数

, 
計算

About 計算

, 
MgSiO3

About MgSiO3

, 
ペロブスカイト

About ペロブスカイト

, 
応用

About 応用


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