Interatomic potential and structural stability: Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992
Gespeichert in:
| Weitere Verfasser: | , |
|---|---|
| Format: | Elektronisch Tagungsbericht E-Book |
| Sprache: | English |
| Veröffentlicht: |
Berlin, Heidelberg
Springer Berlin Heidelberg
1993
|
| Schriftenreihe: | Springer Series in Solid-State Sciences
114 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | Structural stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects of phase stability of materials is contained in this volume. Most of the first-principles calculations are based on the local-density approximation (LDA). In contrast, this volume contains very recent results of "going beyond LDA", such as the density gradient expansion and the quantum Monte-Carlomethod. Following the recently introduced theoretical methods for the calculation of interatomic potentials, forces acting on atoms and total energies such as the Car-Parrinello, the effective-medium and the bond-ordermethod, attempts have been made to develop even more sophisticated methods such as the order-N method in electronic-structure calculations. The present status of these methods and their application to real systems are described. In addition, in order to study the phase stability atfinite temperatures, the microscopic calculations have to be combined with statistical treatment of the systems to describe, e.g. order-disorder transitions on the Si(001) surface or alloy phase diagrams. This book contains examples for this type of calculations |
| Beschreibung: | 1 Online-Ressource (X, 223p. 92 illus) |
| ISBN: | 9783642849688 9783642849701 |
| DOI: | 10.1007/978-3-642-84968-8 |
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Datensatz im Suchindex
| _version_ | 1804153078946988032 |
|---|---|
| any_adam_object | |
| author2 | Terakura, Kiyoyuki Akai, Hisazumi |
| author2_role | edt edt |
| author2_variant | k t kt h a ha |
| author_facet | Terakura, Kiyoyuki Akai, Hisazumi |
| building | Verbundindex |
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| classification_tum | PHY 000 |
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| ctrlnum | (OCoLC)863818313 (DE-599)BVBBV042413940 |
| dewey-full | 620.44 |
| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 620 - Engineering and allied operations |
| dewey-raw | 620.44 |
| dewey-search | 620.44 |
| dewey-sort | 3620.44 |
| dewey-tens | 620 - Engineering and allied operations |
| discipline | Physik |
| doi_str_mv | 10.1007/978-3-642-84968-8 |
| format | Electronic Conference Proceeding eBook |
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| record_format | marc |
| series2 | Springer Series in Solid-State Sciences |
| spelling | Terakura, Kiyoyuki edt Interatomic potential and structural stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 K. Terakura, H. Akai (Eds.) Berlin, Heidelberg Springer Berlin Heidelberg 1993 1 Online-Ressource (X, 223p. 92 illus) txt rdacontent c rdamedia cr rdacarrier Springer Series in Solid-State Sciences 114 Structural stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects of phase stability of materials is contained in this volume. Most of the first-principles calculations are based on the local-density approximation (LDA). In contrast, this volume contains very recent results of "going beyond LDA", such as the density gradient expansion and the quantum Monte-Carlomethod. Following the recently introduced theoretical methods for the calculation of interatomic potentials, forces acting on atoms and total energies such as the Car-Parrinello, the effective-medium and the bond-ordermethod, attempts have been made to develop even more sophisticated methods such as the order-N method in electronic-structure calculations. The present status of these methods and their application to real systems are described. In addition, in order to study the phase stability atfinite temperatures, the microscopic calculations have to be combined with statistical treatment of the systems to describe, e.g. order-disorder transitions on the Si(001) surface or alloy phase diagrams. This book contains examples for this type of calculations Chemistry, Physical organic Mathematical physics Crystallography Surfaces (Physics) Materials Science Surfaces and Interfaces, Thin Films Mathematical Methods in Physics Numerical and Computational Physics Physical Chemistry Characterization and Evaluation of Materials Mathematische Physik Strukturelle Phasenumwandlung (DE-588)4183794-0 gnd rswk-swf Zwischenatomare Kraft (DE-588)4253455-0 gnd rswk-swf Zwischenmolekulare Kraft (DE-588)4191346-2 gnd rswk-swf Elektronenstruktur (DE-588)4129531-6 gnd rswk-swf Festkörpertheorie (DE-588)4154189-3 gnd rswk-swf Dichtefunktionalformalismus (DE-588)4258514-4 gnd rswk-swf 1\p (DE-588)1071861417 Konferenzschrift 1992 Kashikojima gnd-content Zwischenatomare Kraft (DE-588)4253455-0 s Elektronenstruktur (DE-588)4129531-6 s Festkörpertheorie (DE-588)4154189-3 s 2\p DE-604 Dichtefunktionalformalismus (DE-588)4258514-4 s 3\p DE-604 Strukturelle Phasenumwandlung (DE-588)4183794-0 s 4\p DE-604 Zwischenmolekulare Kraft (DE-588)4191346-2 s 5\p DE-604 Akai, Hisazumi edt Taniguchi International Symposium 15 1992 Kashikojima Sonstige (DE-588)2130728-3 oth Erscheint auch als Druck-Ausgabe 3-540-56806-9 Erscheint auch als Druck-Ausgabe 0-387-56806-9 https://doi.org/10.1007/978-3-642-84968-8 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 3\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 4\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 5\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Interatomic potential and structural stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 Chemistry, Physical organic Mathematical physics Crystallography Surfaces (Physics) Materials Science Surfaces and Interfaces, Thin Films Mathematical Methods in Physics Numerical and Computational Physics Physical Chemistry Characterization and Evaluation of Materials Mathematische Physik Strukturelle Phasenumwandlung (DE-588)4183794-0 gnd Zwischenatomare Kraft (DE-588)4253455-0 gnd Zwischenmolekulare Kraft (DE-588)4191346-2 gnd Elektronenstruktur (DE-588)4129531-6 gnd Festkörpertheorie (DE-588)4154189-3 gnd Dichtefunktionalformalismus (DE-588)4258514-4 gnd |
| subject_GND | (DE-588)4183794-0 (DE-588)4253455-0 (DE-588)4191346-2 (DE-588)4129531-6 (DE-588)4154189-3 (DE-588)4258514-4 (DE-588)1071861417 |
| title | Interatomic potential and structural stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 |
| title_auth | Interatomic potential and structural stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 |
| title_exact_search | Interatomic potential and structural stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 |
| title_full | Interatomic potential and structural stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 K. Terakura, H. Akai (Eds.) |
| title_fullStr | Interatomic potential and structural stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 K. Terakura, H. Akai (Eds.) |
| title_full_unstemmed | Interatomic potential and structural stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 K. Terakura, H. Akai (Eds.) |
| title_short | Interatomic potential and structural stability |
| title_sort | interatomic potential and structural stability proceedings of the 15th taniguchi symposium kashikojima japan october 19 23 1992 |
| title_sub | Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992 |
| topic | Chemistry, Physical organic Mathematical physics Crystallography Surfaces (Physics) Materials Science Surfaces and Interfaces, Thin Films Mathematical Methods in Physics Numerical and Computational Physics Physical Chemistry Characterization and Evaluation of Materials Mathematische Physik Strukturelle Phasenumwandlung (DE-588)4183794-0 gnd Zwischenatomare Kraft (DE-588)4253455-0 gnd Zwischenmolekulare Kraft (DE-588)4191346-2 gnd Elektronenstruktur (DE-588)4129531-6 gnd Festkörpertheorie (DE-588)4154189-3 gnd Dichtefunktionalformalismus (DE-588)4258514-4 gnd |
| topic_facet | Chemistry, Physical organic Mathematical physics Crystallography Surfaces (Physics) Materials Science Surfaces and Interfaces, Thin Films Mathematical Methods in Physics Numerical and Computational Physics Physical Chemistry Characterization and Evaluation of Materials Mathematische Physik Strukturelle Phasenumwandlung Zwischenatomare Kraft Zwischenmolekulare Kraft Elektronenstruktur Festkörpertheorie Dichtefunktionalformalismus Konferenzschrift 1992 Kashikojima |
| url | https://doi.org/10.1007/978-3-642-84968-8 |
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