LMSSMat Mécanique des Sols, Structures et Matériaux - IM2NP
LMSSMat Mécanique des Sols, Structures et Matériaux - IM2NP
LMSSMat Mécanique des Sols, Structures et Matériaux - IM2NP
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Forces d’interaction de VdW entre deux CNTs<br />
Energie potentielle <strong>des</strong> interactions entre deux SWCNT (modèle LJ)<br />
%° 1 ⎡⎛ 3.41 ⎞ ⎛ 3.41 ⎞<br />
φ( R) =− ⎢⎜ 0.4<br />
0.6 3.15R° ⎟ − ⎜<br />
0.28 3.15R°<br />
⎟<br />
⎢⎣⎝ + ⎠ ⎝ + 0.28 ⎠<br />
Reduced potential energy<br />
and reduced distance<br />
%° φ( R)<br />
φ( R)<br />
=<br />
| φ( R ) |<br />
Girifalco LA, <strong>et</strong> al. Phys Rev B. 2000;62(19):13104<br />
Sun C-H, <strong>et</strong> al. Chem Phys L<strong>et</strong>t. 2005;403(4-6):343-6<br />
Sun C-H, <strong>et</strong> al. Phys Rev B. 2006;73(19):195414-5<br />
0<br />
° ( R − ρ)<br />
R =<br />
( R - ρ)<br />
Forces de VdW entre deux MWCNTs<br />
0<br />
4 10<br />
van der Waals force (N/m)<br />
2<br />
0<br />
-2<br />
-4<br />
⎤<br />
⎥<br />
⎥⎦<br />
Énergie potentielle d‘interactions par unite de longueur<br />
equilibrium vdW gap<br />
( )<br />
vdW force b<strong>et</strong>ween CNTs (25, 8)<br />
vdW force b<strong>et</strong>ween CNTs (40, 32)<br />
-6<br />
2 4 6 8 10 12<br />
Gap b<strong>et</strong>ween two CNTs (Å)<br />
11 5<br />
⎛<br />
−12 ⎛ 3.41 ⎞ ⎛ 3.41 ⎞ ⎞<br />
f R = 1.602× 10 × 705.22× −<br />
⎜⎜ ⎟ ⎜ ⎟<br />
⎝R− 50+ 0.28⎠ ⎝R− 50+<br />
0.28⎠<br />
⎟<br />
⎝<br />
⎠<br />
( )<br />
11 5<br />
⎛<br />
−12 ⎛ 3.41 ⎞ ⎛ 3.41 ⎞ ⎞<br />
f R = 1.602× 10 × 1229.17 × −<br />
⎜⎜ ⎟ ⎜ ⎟<br />
⎝R− 297+ 0.28 ⎠ ⎝R− 297+<br />
0.28⎠<br />
⎟<br />
⎝<br />
⎠