Open AccessAUGMENTED SPHERICAL WAVE FIRST-PRINCIPLE CALCULATION ON THE STACKING-FAULT ENERGY OF ALUMINIUM
Author(s) -
JIN QING-HUA,
WANG PING-JI,
DING DA-TONG,
Dingsheng Wang
Publication year - 1992
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.41.1632
Subject(s) - supercell , stacking , stacking fault energy , spherical wave , aluminium , stacking fault , energy (signal processing) , materials science , fault (geology) , physics , optics , quantum mechanics , geology , composite material , dislocation , thunderstorm , nuclear magnetic resonance , seismology , meteorology
The stacking-faults are placed in a supercell which is repeated periodically. By choosing the supercell large enough, so that faults in neighboring cells do not interact much, the energy of one stacking fault may then be calculated. A first principle method (Augmented Spherical Wave Method) is used to calculate the energies of the intrinsic and extrinsic stacking faults in aluminium. The values found are ΓISF=154erg/cm2 and ΓESF=138erg/cm2 respectively. The results are quite reasonable as compared with experimental data.