TY - JOUR
T1 - Thermodynamics of yield in boron nitride nanotubes
AU - Dumitrică, Traian
AU - Bettinger, Holger F.
AU - Scuseria, Gustavo E.
AU - Yakobson, Boris I.
PY - 2003
Y1 - 2003
N2 - We investigate the atomistic mechanism of yield to mechanical tension in boron nitride nanotubes. The formation energy of the first emerging defect is computed by accurate ab initio calculations. Its susceptibilities to mechanical tension is further evaluated in an economical fashion, when only load-free clusters need to be considered. The obtained thermodynamic threshold is above that of the homologuous carbon system, whose exceptional resistance to mechanical yield is already recognized.
AB - We investigate the atomistic mechanism of yield to mechanical tension in boron nitride nanotubes. The formation energy of the first emerging defect is computed by accurate ab initio calculations. Its susceptibilities to mechanical tension is further evaluated in an economical fashion, when only load-free clusters need to be considered. The obtained thermodynamic threshold is above that of the homologuous carbon system, whose exceptional resistance to mechanical yield is already recognized.
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U2 - 10.1103/PhysRevB.68.085412
DO - 10.1103/PhysRevB.68.085412
M3 - Article
AN - SCOPUS:0141676313
SN - 1098-0121
VL - 68
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 8
ER -