Green’s function-based multiscale modeling of defects in a semi-infinite silicon substrate

2005 ◽  
Vol 42 (16-17) ◽  
pp. 4722-4737 ◽  
Author(s):  
B. Yang ◽  
V.K. Tewary
Keyword(s):  
Green’S Function ◽  
Multiscale Modeling ◽  
Green's Function ◽  
Silicon Substrate

Lattice Green's Function for Multiscale Modeling of Strain Field Due to a Vacancy or Other Point Defects in Graphene

MRS Advances ◽  
2020 ◽  
Vol 5 (52-53) ◽  
pp. 2717-2725
Author(s):  
V.K. Tewary ◽  
E.J. Garboczi
Keyword(s):  
Green’S Function ◽  
Point Defect ◽  
Multiscale Modeling ◽  
Green's Function ◽  
Point Defects ◽  
Strain Field ◽  
Function Method ◽  
2D Materials ◽  
Dyson Equation ◽  
Other Point Defects

AbstractA multiscale Green's function method, based upon a solution of the Dyson equation, is described for modeling the strain field due to a vacancy or any other point defect in graphene and other 2D materials. Numerical results are presented using a fourth-neighbor force-constant model for the purpose of illustration.

Multiscale Modeling of Point Defects and Free Surfaces in Semi-infinite Solids

2002 ◽  
Vol 731 ◽  
Author(s):  
V.K. Tewary
Keyword(s):  
Green’S Function ◽  
Multiscale Modeling ◽  
Green's Function ◽  
Point Defects ◽  
Extended Defects ◽  
Free Surfaces ◽  
Lattice Statics ◽  
Surfaces And Interfaces ◽  
Macroscopic Continuum ◽  
The Continuum

AbstractA Green's function method is described for multiscale modeling of point defects such as vacancies and interstitials at the atomistic level and extended defects such as free surfaces and interfaces at the macroscopic continuum level in a solid. The point defects are represented in terms of Kanzaki forces using the lattice-statics Green's function, which can model a large crystallite containing a million atoms without excessive CPU effort. The lattice-statics Green's function reduces to the continuum Green's function in the asymptotic limit which is used to model the extended defects by imposing continuum- model boundary conditions. Numerical results are presented for the displacement field on the free surface due to a vacancy in semi-infinite fcc copper.

Multiscale Modeling of Mechanical Response of Quantum Nanostructures

2003 ◽  
Vol 778 ◽  
Author(s):  
Vinod K. Tewary ◽  
Bo Yang
Keyword(s):  
Green’S Function ◽  
Multiscale Modeling ◽  
Green's Function ◽  
Displacement Field ◽  
Mechanical Response ◽  
Extended Defects ◽  
Free Surfaces ◽  
Quantum Nanostructures ◽  
Ge Quantum Dot ◽  
The Continuum

AbstractA multiscale Green's function method is described for modeling the mechanical response of quantum nanostructures in semiconductors. The method accounts for the discreteness of the lattice in and around the nanostructure, and uses the continuum Green's function to model extended defects such as free surfaces in the host solid. The method is applied to calculate the displacement field due to a Ge quantum dot in a semi-infinite Si lattice. Corresponding continuum values of the displacement field are also reported.

GREEN'S FUNCTION MATCHING METHOD FOR REALISTIC CALCULATIONS OF INTERFACES

1985 ◽  
Vol 46 (C4) ◽  
pp. C4-321-C4-329 ◽  
Author(s):  
E. Molinari ◽  
G. B. Bachelet ◽  
M. Altarelli
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Matching Method

THE ATOMISTIC GREEN'S FUNCTION METHOD FOR INTERFACIAL PHONON TRANSPORT

2014 ◽  
Vol 17 (N/A) ◽  
pp. 89-145 ◽  
Author(s):  
Sridhar Sadasivam ◽  
Yuhang Che ◽  
Zhen Huang ◽  
Liang Chen ◽  
Satish Kumar ◽  
...  
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Function Method ◽  
Phonon Transport ◽  
Green’S Function Method
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