Work conjugate pair of stress and strain in molecular dynamics
| Autor: | Leyu Wang, James D. Lee, Cing-Dao Kan |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2016 |
| Předmět: |
Thermodynamic conjugacy
logarithmic strain atomistic stress deformation gradient strain energy interatomic potential Tersoff potential atomistic first-order Piola–Kirchhoff stress atomistic second-order Piola–Kirchhoff stress atomistic Kirchhoff stress virial stress Materials of engineering and construction. Mechanics of materials TA401-492 |
| Zdroj: | International Journal of Smart and Nano Materials, Vol 7, Iss 3, Pp 144-178 (2016) |
| Druh dokumentu: | article |
| ISSN: | 1947-5411 1947-542X 19475411 |
| DOI: | 10.1080/19475411.2016.1233141 |
| Popis: | Certain stress and strain form a thermodynamic conjugate pair such that their strain energy equals to a scalar-valued potential energy. Different atomistic stresses and strains are analytically derived based on the work conjugate relation. It is numerically verified with both two-body and three-body potentials that the atomistic Kirchhoff stress, first-order Piola–Kirchhoff stress and second-order Piola–Kirchhoff stress are conjugates to atomistic logarithmic strain, deformation gradient and Lagrangian strain, respectively. Virial stress at 0 K based on original volume is the special form of atomistic Kirchhoff stress for pair potential. It is numerically verified that Hencky strain is not conjugate to any stress. |
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