| Item type |
学術雑誌論文 / Journal Article(1) |
| 公開日 |
2008-10-29 |
| タイトル |
|
|
タイトル |
原子間力第1及び第2微係数と弾性定数 |
|
言語 |
ja |
| タイトル |
|
|
タイトル |
First-and Second-Derivatives of Interatomic Potential and Elastic Constants |
|
言語 |
en |
| 言語 |
|
|
言語 |
jpn |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
interatomic force constants |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
elastic constants |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
long-wave phonon method |
| 資源タイプ |
|
|
資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
|
資源タイプ |
journal article |
| アクセス権 |
|
|
アクセス権 |
open access |
|
アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 作成者 |
高谷, 眞弓
加賀屋, 弘子
相馬, 俊信
|
| 内容記述 |
|
|
内容記述タイプ |
Abstract |
|
内容記述 |
Using the first- and second-derivatives of the effective interatomic potential III the microscopic electronic theory, the interatomic force constants are calculated for practical material Al with low density and for alkali metal K with high density. The interatomic force constants so obtained are in good agreement with those derived from fitting the experimental phonon spectra and give a set of important data for the binding forces of solids. Dynamical elastic constants are also calculated using the long-wave phonon method and are also compared with observed data from ultrasonic pulse method. The compressibility problem, proposed by Brovman and Kagan, is that the lattice dynamical method in terms of second-order perturbation based on the pseudopotential does not give the self-consistent results for calculation of the elastic constants accompanied by a volume change. This problem is studied quantitatively and is shown to be important for Al and K. Consecluently, the obtained data of the elastic constants Cil, C12 and bulk modulus B related to volume change are in good agreement with the observed data in spite of introducing no adjustable parameter. Then, in quasi-harmonic approximation considering temperatureand pressure-dependence of the lattice constant, the temperature and pressure effect on the elastic constants are calculated. The obtained data are consistent with the qualitative tendency of observed data and are useful in studying the mechanical and thermal properties of theses materials. |
|
言語 |
en |
| 出版タイプ |
|
|
出版タイプ |
VoR |
|
出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| 書誌情報 |
素材物性学雑誌
巻 12,
号 1/2,
p. 42-51,
発行日 1999-12-01
|
| 収録物識別子 |
|
|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
09199853 |
| 収録物識別子 |
|
|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AN10140273 |
| 出版者 |
|
|
出版者 |
日本素材物性学会 |
sozai12-5.pdf (648.5 kB)
