Multiscale Modeling Methods
作者： Teruaki Motooka , Tsuyoshi Uda
DOI: 10.1016/B978-0-323-29965-7.00008-7
关键词:
摘要: This chapter describes the multiscale modeling methods. Multiscale consists of calculation material properties on one level using information or models from different levels. It throws some light macroscopic and microscopic equations. Macroscopic equations are better to analyze characteristics MEMS device this provides details this. In order theoretically obtain I–V characteristic, it is necessary solve appropriate in both scales. The popular methods for solving PDEs like finite-difference method finite element explained extent. also includes first principles electronic-structure calculations Si-based NEMS.
sci-hub.se 参考文章(30)
Photoemission in Solids I Photoemission in Solids I: General Principles. ,vol. 26, ,(1978) , 10.1007/3-540-08685-4
Takahiro Yamasaki, Takahisa Ohno, Takenori Yamamoto, Tsuyoshi Uda, First-principles supercell calculations for simulating a shallow donor state in Si Physics Letters A. ,vol. 373, pp. 3989- 3993 ,(2009) , 10.1016/J.PHYSLETA.2009.08.057
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, J. G. Ángyán, Screened hybrid density functionals applied to solids Journal of Chemical Physics. ,vol. 124, pp. 154709- ,(2006) , 10.1063/1.2187006
Cees Dekker, Solid-state nanopores Nature Nanotechnology. ,vol. 2, pp. 209- 215 ,(2007) , 10.1038/NNANO.2007.27
Teruaki Motooka, Shinji Munetoh, Molecular-dynamics simulations of nucleation and crystallization in supercooled liquid silicon: Temperature-gradient effects Physical Review B. ,vol. 69, pp. 073307- ,(2004) , 10.1103/PHYSREVB.69.073307
P. O. Gartland, S. Berge, B. J. Slagsvold, Photoelectric Work Function of a Copper Single Crystal for the (100), (110), (111), and (112) Faces Physical Review Letters. ,vol. 28, pp. 738- 739 ,(1972) , 10.1103/PHYSREVLETT.28.738
J.K. Grepstad, P.O. Gartland, B.J. Slagsvold, Anisotropic work function of clean and smooth low-index faces of aluminium Surface Science. ,vol. 57, pp. 348- 362 ,(1976) , 10.1016/0039-6028(76)90187-4
Kerstin Hummer, Judith Harl, Georg Kresse, Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors Physical Review B. ,vol. 80, pp. 115205- ,(2009) , 10.1103/PHYSREVB.80.115205
P. Hohenberg, W. Kohn, Inhomogeneous Electron Gas Physical Review. ,vol. 136, pp. 864- 871 ,(1964) , 10.1103/PHYSREV.136.B864