Temperature-dependent structural heterogeneity in calcium silicate liquids

被引：50

作者：

Benmore, C. J. ^{[1
]}

Weber, J. K. R. ^{[1
,2
]}

Wilding, M. C. ^{[3
]}

Du, J. ^{[4
]}

Parise, J. B. ^{[5
,6
]}

机构：

[1] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA

[2] Mat Dev Inc, Arlington Hts, IL 60004 USA

[3] Abersytwyth Univ, Inst Math & Phys Sci, Aberystwyth SY23 3BZ, Cerdigion, Wales

[4] Univ N Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA

[5] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA

[6] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA

来源：

PHYSICAL REVIEW B | 2010年 / 82卷 / 22期

基金：

美国国家科学基金会;

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; GLASS-TRANSITION; DIFFRACTION; SCATTERING; MELTS;

D O I：

10.1103/PhysRevB.82.224202

中图分类号：

T [工业技术];

学科分类号：

120111 [工业工程];

摘要：

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.

引用

页数：6

共 33 条

[1]

VISCOSITY AND THE STRUCTURE OF MOLTEN SILICATES [J].

BOCKRIS, JO ;

LOWE, DC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1954, 226 (1167) :423-435

[2]

Molecular dynamics simulations of soda-lime-silicate glasses [J].

Cormack, AN ;

Du, JC .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 2001, 293 :283-289

[3]

The medium range structure of sodium silicate glasses: a molecular dynamics simulation [J].

Du, J ;

Cormack, AN .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 2004, 349 :66-79

[4]

First sharp diffraction peak in silicate glasses: Structure and scattering length dependence [J].

Du, JC ;

Corrales, R .

PHYSICAL REVIEW B, 2005, 72 (09)

[5]

Molecular dynamics simulation of the structure and hydroxylation of silica glass surfaces [J].

Du, JC ;

Cormack, AN .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2005, 88 (09) :2532-2539

[6]

The structure of erbium doped sodium silicate glasses [J].

Du, JC ;

Cormack, AN .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 2005, 351 (27-29) :2263-2276

[7]

Compositional dependence of the first sharp diffraction peaks in alkali silicate glasses: A molecular dynamics study [J].

Du, Jincheng ;

Corrales, L. Rene .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 2006, 352 (30-31) :3255-3269

[8]

A molecular dynamics simulation interpretation of neutron and x-ray diffraction measurements on single phase Y2O3-Al2O3 glasses [J].

Du, Jincheng ;

Benmore, Chris J. ;

Corrales, Rene ;

Hart, Robert T. ;

Weber, J. K. Richard .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (20)

[9]

Molecular Dynamics Simulations of the Structure and Properties of Low Silica Yttrium Aluminosilicate Glasses [J].

Du, Jincheng .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2009, 92 (01) :87-95

[10]

Spatially heterogeneous dynamics in supercooled liquids [J].

Ediger, MD .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2000, 51 :99-128

← 1 2 3 4 →