Atomic-scale finite element method in multiscale computation with applications to carbon nanotubes Export

@article{citeulike:5386623, abstract = {We have developed an accurate atomic-scale finite element method (AFEM) that has exactly the same formal structure as continuum finite element methods; and therefore can seamlessly be combined with them in multiscale computations. The AFEM uses both first and second derivatives of system energy in the energy minimization computation. It is faster than the standard conjugate gradient method which uses only the first order derivative of system energy; and can thus significantly save computation time especially in studying large scale problems. Woven nanostructures of carbon nanotubes are proposed and studied via this new method; and strong defect insensitivity in such nanostructures is revealed. The AFEM is also readily applicable for solving many physics related optimization problems.}, author = {Liu, B. and Jiang, H. and Huang, Y. and Qu, S. and Yu, M. F. and Hwang, K. C.}, citeulike-article-id = {5386623}, citeulike-linkout-0 = {http://dx.doi.org/10.1103/PhysRevB.72.035435}, citeulike-linkout-1 = {http://link.aps.org/abstract/PRB/v72/i3/e035435}, citeulike-linkout-2 = {http://link.aps.org/pdf/PRB/v72/i3/e035435}, doi = {10.1103/PhysRevB.72.035435}, journal = {Physical Review B}, keywords = {cnt, simulation, simulation-method}, month = {Jul}, number = {3}, pages = {035435+}, posted-at = {2009-08-06 22:26:08}, priority = {2}, publisher = {American Physical Society}, title = {Atomic-scale finite element method in multiscale computation with applications to carbon nanotubes}, url = {http://dx.doi.org/10.1103/PhysRevB.72.035435}, volume = {72}, year = {2005} }

TY - JOUR ID - citeulike:5386623 L3 - citeulike-article-id:5386623 N2 - We have developed an accurate atomic-scale finite element method (AFEM) that has exactly the same formal structure as continuum finite element methods; and therefore can seamlessly be combined with them in multiscale computations. The AFEM uses both first and second derivatives of system energy in the energy minimization computation. It is faster than the standard conjugate gradient method which uses only the first order derivative of system energy; and can thus significantly save computation time especially in studying large scale problems. Woven nanostructures of carbon nanotubes are proposed and studied via this new method; and strong defect insensitivity in such nanostructures is revealed. The AFEM is also readily applicable for solving many physics related optimization problems. IS - 3 JF - Physical Review B TI - Atomic-scale finite element method in multiscale computation with applications to carbon nanotubes PB - American Physical Society VL - 72 SP - 035435 KW - cnt KW - simulation KW - simulation-method AU - Liu, B AU - Jiang, H AU - Huang, Y AU - Qu, S AU - Yu, MF AU - Hwang, KC PY - 2005/Jul// UR - http://dx.doi.org/10.1103/PhysRevB.72.035435 ER -