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Calculation of the Lennard-Jonesn–m potential energy parameters for metals

✍ Scribed by Zhen, Shu ;Davies, G. J.

Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
493 KB
Volume
78
Category
Article
ISSN
0031-8965

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📜 SIMILAR VOLUMES

On the validity of Lennard-Jones potenti
On the validity of Lennard-Jones potentials for the calculation of elastic properties of a graphite crystal
✍ B.T. Kelly; M.J. Duff 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 431 KB

Calculations are made of Cs3, &, 8Cs~/&zzt and the A-A stacking fault energy of a graphite crystal using Lennard-Jones potentials between atoms in different layer planes. An estimate is made of aC,,/ae,,. The values of Cs3 and the A-A stacking fault energy are in fair agreement with experiment, but