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Semi-empirical calculation of solid surface tensions in body-centred cubic transition metals
Open accessAbstract
We present calculations of surface tension (surface stress γ)for the body-centred cubic (b.c.c.) metals V, Nb, Ta, Mo and W made using simple empirical N-body potentials obtained by Finnis and Sinclair (1984). Results for several crystal faces are evaluated and compared with the corresponding surface energies σ. Although there is a broad correlation between the calculated tensions and energies for different metals, and the two quantities are of a similar order of magnitude, they differ from one another by a factor of up to 2. Variant potentials for molybdenum were constructed to test the sensitivity of the results; negative surface tensions were found in some cases and shown to be a symptom of metastability of the b.c.c. structure.
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Citations
Cited by
Modified embedded-atom potentials for cubic materials and impurities
Baskes, M. I. (1992) · Physical Review B · doi:10.1103/physrevb.46.2727 · Cited by 2,093
Trends of the surface relaxations, surface energies, and work functions of the 4 d transition metals
Methfessel, M., Hennig, D., & Scheffler, M. (1992) · Physical Review B · doi:10.1103/physrevb.46.4816 · Cited by 572
Embedded-atom-method tantalum potential developed by the force-matching method
Li, Y., Siegel, D. J., Adams, J. B., & Liu, X.-Y. (2003) · Physical Review B · doi:10.1103/physrevb.67.125101 · Cited by 118
Metadata
- Authors
- Ackland, G. J., & Finnis, M. W.
- Venue
- Philosophical Magazine A
- Publisher
- Informa UK Limited
- Published
- 1986-08
- Volume
- 54
- Issue
- 2
- Pages
- 301-315
- ISSN
- 0141-8610 (ISSN-L)
- 1460-6992
- OpenAlex
- W2041359024
- Cited by
- 183
- References
- 0
- FWCI
- 30.68
- Type
- journal article
- Language
- en
- Open access
- green
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- CoChat. (2026). Citation check: Semi-empirical calculation of solid surface tensions in body-centred cubic transition metals. https://app.cochat.ai/papers/10.1080/01418618608242900
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- Ackland, G. J., & Finnis, M. W. (1986). Semi-empirical calculation of solid surface tensions in body-centred cubic transition metals. Philosophical Magazine A. https://doi.org/10.1080/01418618608242900
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