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Gangopadhyay AK, Blodgett ME, Johnson ML, et al. Anomalous thermal contraction of the first coordination shell in metallic alloy liquids. J Chem Phys. 2014;140(4):044505doi: 10.1063/1.4861666.
Gangopadhyay, A. K., Blodgett, M. E., Johnson, M. L., McKnight, J., Wessels, V., Vogt, A. J., Mauro, N. A., Bendert, J. C., Soklaski, R., Yang, L., & Kelton, K. F. (2014). Anomalous thermal contraction of the first coordination shell in metallic alloy liquids. The Journal of chemical physics, 140(4), 044505. https://doi.org/10.1063/1.4861666
Gangopadhyay, A K, et al. "Anomalous thermal contraction of the first coordination shell in metallic alloy liquids." The Journal of chemical physics vol. 140,4 (2014): 044505. doi: https://doi.org/10.1063/1.4861666
Gangopadhyay AK, Blodgett ME, Johnson ML, McKnight J, Wessels V, Vogt AJ, Mauro NA, Bendert JC, Soklaski R, Yang L, Kelton KF. Anomalous thermal contraction of the first coordination shell in metallic alloy liquids. J Chem Phys. 2014 Jan 28;140(4):044505. doi: 10.1063/1.4861666. PMID: 25669553.
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J Chem Phys. 2014 Jan 28;140(4):044505. doi: 10.1063/1.4861666.

Anomalous thermal contraction of the first coordination shell in metallic alloy liquids.

The Journal of chemical physics

A K Gangopadhyay, M E Blodgett, M L Johnson, J McKnight, V Wessels, A J Vogt, N A Mauro, J C Bendert, R Soklaski, L Yang, K F Kelton

Affiliations

  1. Department of Physics, Washington University in St. Louis, Missouri 63130, USA.

PMID: 25669553 DOI: 10.1063/1.4861666

Abstract

Except for a few anomalous solids and liquids, materials expand upon heating. For liquids, this should be reflected as a shift in the peak positions in the pair correlation function, g(r), to higher r. Here, we present the results of a detailed study of the volume thermal expansion coefficients and the temperature dependences of g(r) for a large number of binary, ternary, and quaternary liquids in the equilibrium and supercooled (metastable liquid below the liquidus temperature) states. The data were obtained from x-ray scattering and volume measurements on levitated liquids using the electrostatic levitation technique. Although the volumes of all liquids expand with increasing temperature, the peak positions in g(r) for the first coordination shells contract for the majority of alloy liquids studied. The second and third peaks in g(r) expand, but at rates different from those expected from the volume expansion. This behavior is explained qualitatively in terms of changes in the coordination numbers and bond-lengths as clusters in liquids break up with increasing temperature.

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