Temperature-dependent structural heterogeneity in calcium silicate liquids

C. J. Benmore; J. K. R. Weber; M. C. Wilding; J. Du; J. B. Parise

doi:10.1103/PhysRevB.82.224202

Temperature-dependent structural heterogeneity in calcium silicate liquids

C. J. Benmore^*, J. K. R. Weber, M. C. Wilding, J. Du, J. B. Parise

^*Corresponding author for this work

Department of Physics

Research output: Contribution to journal › Article › peer-review

54 Citations (Scopus)

145 Downloads (Pure)

Abstract

X-ray diffraction measurements performed on aerodynamically levitated CaSiO(3) droplets have been interpreted using a structurally heterogeneous liquid-state model. When cooled, the high-temperature liquid shows evidence of the polymerization of edge shared Ca octahedra. Diffraction isosbestic points are used to characterize the polymerization process in the pair-distribution function. This behavior is linear in the high-temperature melt but exhibits rapid growth just above the glass transition temperature around 1.2T(g). The heterogeneous liquid interpretation is supported by molecular-dynamics simulations which show the CaSiO(3) glass has more edge-shared polyhedra and fewer corner shared polyhedra than the liquid model.

Original language	English
Article number	ARTN 224202
Number of pages	6
Journal	Physical Review B
Volume	82
Issue number	22
DOIs	https://doi.org/10.1103/PhysRevB.82.224202
Publication status	Published - 07 Dec 2010

Keywords

MELTS
SCATTERING
DIFFRACTION
MOLECULAR-DYNAMICS SIMULATIONS
GLASS-TRANSITION

Access to Document

10.1103/PhysRevB.82.224202

Temperature-dependent structural heterogeneity in calcium silicate liquidsFinal published version, 374 KB

Permanent link

Persistent link

Cite this

@article{62cd4add78054d8bbc875b4bd6efc1ca,

title = "Temperature-dependent structural heterogeneity in calcium silicate liquids",

abstract = "X-ray diffraction measurements performed on aerodynamically levitated CaSiO(3) droplets have been interpreted using a structurally heterogeneous liquid-state model. When cooled, the high-temperature liquid shows evidence of the polymerization of edge shared Ca octahedra. Diffraction isosbestic points are used to characterize the polymerization process in the pair-distribution function. This behavior is linear in the high-temperature melt but exhibits rapid growth just above the glass transition temperature around 1.2T(g). The heterogeneous liquid interpretation is supported by molecular-dynamics simulations which show the CaSiO(3) glass has more edge-shared polyhedra and fewer corner shared polyhedra than the liquid model.",

keywords = "MELTS, SCATTERING, DIFFRACTION, MOLECULAR-DYNAMICS SIMULATIONS, GLASS-TRANSITION",

author = "Benmore, {C. J.} and Weber, {J. K. R.} and Wilding, {M. C.} and J. Du and Parise, {J. B.}",

note = "Benmore, C. J., Weber, J. K. R., Wilding, M. C., Du, J., Parise, J. B. (2010). Temperature-dependent structural heterogeneity in calcium silicate liquids. Phys. Rev. B, 82 (22). article no: 224202",

year = "2010",

month = dec,

day = "7",

doi = "10.1103/PhysRevB.82.224202",

language = "English",

volume = "82",

journal = "Physical Review B",

issn = "1098-0121",

publisher = "American Physical Society",

number = "22",

}

TY - JOUR

T1 - Temperature-dependent structural heterogeneity in calcium silicate liquids

AU - Benmore, C. J.

AU - Weber, J. K. R.

AU - Wilding, M. C.

AU - Du, J.

AU - Parise, J. B.

N1 - Benmore, C. J., Weber, J. K. R., Wilding, M. C., Du, J., Parise, J. B. (2010). Temperature-dependent structural heterogeneity in calcium silicate liquids. Phys. Rev. B, 82 (22). article no: 224202

PY - 2010/12/7

Y1 - 2010/12/7

N2 - X-ray diffraction measurements performed on aerodynamically levitated CaSiO(3) droplets have been interpreted using a structurally heterogeneous liquid-state model. When cooled, the high-temperature liquid shows evidence of the polymerization of edge shared Ca octahedra. Diffraction isosbestic points are used to characterize the polymerization process in the pair-distribution function. This behavior is linear in the high-temperature melt but exhibits rapid growth just above the glass transition temperature around 1.2T(g). The heterogeneous liquid interpretation is supported by molecular-dynamics simulations which show the CaSiO(3) glass has more edge-shared polyhedra and fewer corner shared polyhedra than the liquid model.

AB - X-ray diffraction measurements performed on aerodynamically levitated CaSiO(3) droplets have been interpreted using a structurally heterogeneous liquid-state model. When cooled, the high-temperature liquid shows evidence of the polymerization of edge shared Ca octahedra. Diffraction isosbestic points are used to characterize the polymerization process in the pair-distribution function. This behavior is linear in the high-temperature melt but exhibits rapid growth just above the glass transition temperature around 1.2T(g). The heterogeneous liquid interpretation is supported by molecular-dynamics simulations which show the CaSiO(3) glass has more edge-shared polyhedra and fewer corner shared polyhedra than the liquid model.

KW - MELTS

KW - SCATTERING

KW - DIFFRACTION

KW - MOLECULAR-DYNAMICS SIMULATIONS

KW - GLASS-TRANSITION

UR - http://hdl.handle.net/2160/8569

U2 - 10.1103/PhysRevB.82.224202

DO - 10.1103/PhysRevB.82.224202

M3 - Article

SN - 1098-0121

VL - 82

JO - Physical Review B

JF - Physical Review B

IS - 22

M1 - ARTN 224202

ER -

Temperature-dependent structural heterogeneity in calcium silicate liquids

Abstract

Keywords

Access to Document

Permanent link

Other files and links

Fingerprint

Cite this