| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
|
|
|
|
Efficient and Robust Design for Absorbing Boundary Conditions in Atomistic Computations |
| FANG Ming, TANG Shao-Qiang |
| Center for Applied Physics and Technology, and LTCS, Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 |
|
| Cite this article: |
|
FANG Ming, TANG Shao-Qiang 2009 Chin. Phys. Lett. 26 116201 |
|
|
|
|
Abstract We propose an efficient and robust way to design absorbing boundary conditions in atomistic computations. An optimal discrete boundary condition is obtained by minimizing a functional of a reflection coefficient integral over a range of wave numbers. The minimization is performed with respect to a set of wave numbers, at which transparent absorption is reached. Compared with the optimization with respect to the boundary condition coefficients suggested by E and Huang [Phys.Rev.Lett. 87(2001)133501], we reduce considerably the number of independent variables and the computing cost. We further demonstrate with numerical examples that both the optimization and the wave absorption are more robust in the proposed design.
|
| Keywords:
62.30.+d
43.20.+g
|
|
|
Received: 26 May 2009
Published: 30 October 2009
|
|
| PACS: |
62.30.+d
|
(Mechanical and elastic waves; vibrations)
|
| |
43.20.+g
|
(General linear acoustics)
|
|
|
|
|
|
[1] Liu W K, Karpov E and Park H S 2005 Nano Mechanic andMaterials (New York: Wiley)
[2] Chen H Y, Yang T, Luo X D and Ma H R 2008 Chin. Phys.Lett. 25 3696
[3] Engquist B and Majda A 1977 Math. Comput. 31629
[4] Higdon R L 1994 SIAM J. Numer. Anal. 31 64
[5] Keller J B and Givoli D 1989 J. Comput. Phys. 82 172
[6] Yang D, Wang S, Zhang Z and Teng J 2003 Bull. Seism.Soc. Am. 93 2389
[7] Adelman S A and Doll J D 1974 J. Chem. Phys. 61 4242
[8] Cai W, de Koning M, Bulayov V V and Yip S 2000 Phys. Rev. Lett. 85 3213
[9] Dreher M and Tang S Q 2008 Comput. Mech. 41683
[10] E W, Engquist B, Li X, Ren W and Vanden-Eijinden E 2007 Commun. Comput. Phys. 2 367
[11] E W and Huang Z 2001 Phys. Rev. Lett. 87135501
[12] Li X and E W 2006 Commun. Comput. Phys. 1 136
[13] Qian D, Wagner G J and Liu W K 2004 Comput. MethodsAppl. Mech. Engrg. 193 1603
[14] Tang S Q 2008 J. Comput. Phys. 227 4038
[15] Wagner G J, Karpov E G and Liu W K 2004 Comput.Methods Appl. Mech. Engrg. 193 1579
[16] Karpov E G, Wagner G J and Liu W K 2005 Int. J.Numer. Methods Engrg. 62 1250
[17] Park H, Karpov E G, Klein P and Liu W K 2005 J.Comput. Phys. 207 588 |
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
