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Strain fluctuations and elastic constants
Abstract
It is shown that the elastic strain fluctuations are a direct measure of elastic compliances in a general anisotropic medium; depending on the ensemble in which the fluctuation is measured either the isothermal or the adiabatic compliances are obtained. These fluctuations can now be calculated in a constant enthalpy and pressure, and hence, constant entropy, ensemble due to recent develpments in the molecular dynamics techniques. A calculation for a Ni single crystal under uniform uniaxial 100 tensile or compressive load is presented as an illustration of the relationships derived between various strain fluctuations and the elastic modulii. The Born stability criteria and the behavior of strain fluctuations are shown to be related.
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Cited by
Molecular dynamics with coupling to an external bath
Berendsen, H. J. C., Postma, J. P. M., van Gunsteren, W. F., DiNola, A., & Haak, J. R. (1984) · The Journal of Chemical Physics · doi:10.1063/1.448118 · Cited by 30,700
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Biological and synthetic membranes: What can be learned from a coarse-grained description?
MULLER, M., KATSOV, K., & SCHICK, M. (2006) · Physics Reports · doi:10.1016/j.physrep.2006.08.003 · Cited by 320
Jeong, N., Park, S., Mahajan, S., Zhou, J., Blotevogel, J., Li, Y., Tong, T., & Chen, Y. (2024) · Nature Communications · doi:10.1038/s41467-024-55320-9 · Cited by 98
Ion Distribution and Hydration Structure in the Stern Layer on Muscovite Surface
Kobayashi, K., Liang, Y., Murata, S., Matsuoka, T., Takahashi, S., Nishi, N., & Sakka, T. (2017) · Langmuir · doi:10.1021/acs.langmuir.7b00436 · Cited by 57
Metadata
- Authors
- Parrinello, M., & Rahman, A.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1982-03-01
- Volume
- 76
- Issue
- 5
- Pages
- 2662-2666
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2091432870
- Cited by
- 891
- References
- 0
- FWCI
- 9.34
- Type
- journal article
- Language
- en
- Open access
- closed
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