TY - GEN
T1 - Advanced continuum-atomistic model of materials based on coupled boundary element and molecular approaches
AU - Burczýnski, Tadeusz
AU - Kús, Wacław
AU - Mrozek, Adam
AU - Górski, Radosław
AU - Dziatkiewicz, Grzegorz
PY - 2009
Y1 - 2009
N2 - The paper contains a description of a multiscale algorithm based on the boundary element method (BEM), coupled with a discrete atomistic model. The discrete model uses empirical pair-wise potentials and the Embedded AtomMethod (EAM) to compute interaction forces between atoms. The Newton-Raphson method with the backtracking algorithm is applied to solve a nonlinear system of equations of the nanoscale model. The continuum domain is modeled using BEM with subregions. Some numerical results of simulations at the nanoscale are shown to examine the presented technique.
AB - The paper contains a description of a multiscale algorithm based on the boundary element method (BEM), coupled with a discrete atomistic model. The discrete model uses empirical pair-wise potentials and the Embedded AtomMethod (EAM) to compute interaction forces between atoms. The Newton-Raphson method with the backtracking algorithm is applied to solve a nonlinear system of equations of the nanoscale model. The continuum domain is modeled using BEM with subregions. Some numerical results of simulations at the nanoscale are shown to examine the presented technique.
UR - https://www.scopus.com/pages/publications/84862298795
U2 - 10.1007/978-1-4020-9557-3_24
DO - 10.1007/978-1-4020-9557-3_24
M3 - Conference contribution
AN - SCOPUS:84862298795
SN - 9781402095566
T3 - IUTAM Bookseries
SP - 231
EP - 240
BT - IUTAM Symposium on Modelling Nanomaterials and Nanosystems - Proceedings of the IUTAM Symposium
T2 - IUTAM Symposium on Modelling Nanomaterials and Nanosystems
Y2 - 19 May 2008 through 22 May 2008
ER -