Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Molten barium titanate: a high-pressure liquid silicate analogue

Journal Article · · Journal of Physics. Condensed Matter
 [1];  [2];  [3];  [1];  [4]
  1. Materials Development, Inc., Arlington Heights, IL (United States)
  2. Argonne National Lab. (ANL), Lemont, IL (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Materials Development, Inc., Arlington Heights, IL (United States); Argonne National Lab. (ANL), Lemont, IL (United States)
The structure of molten BaTiO3 has been calculated using laser heating, aerodynamic levitation and a combination of neutron diffraction with Ti isotope substitution, x-ray diffraction and spectroscopy. All measurements indicate a Ti-O coordination of nTiO = 4.4(2), far lower than the perovskite or hexagonal crystalline forms. Yet, nTiO > 4 suggests structural analogy with molten silicates at high pressures. We introduce methodology for ascertaining such analogies and demonstrate similarity with molten CaSiO3 at upper mantle pressures circa 5 GPa. While some topological differences exist, we postulate that planetary melt analogues provide rich insight into important processes relevant to hot exoplanets and Earth's early history.
Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division
Grant/Contract Number:
AC02-06CH11357; SC0015241; SC0018601
OSTI ID:
1558227
Alternate ID(s):
OSTI ID: 23008986
Journal Information:
Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 20 Vol. 31; ISSN 0953-8984
Publisher:
IOP PublishingCopyright Statement
Country of Publication:
United States
Language:
English

References (38)

Giant Dielectric Constant of Hexagonal BaTiO3 Crystal Grown by Containerless Processing. journal December 2004
Assignment of pre-edge peaks in K-edge x-ray absorption spectra of 3d transition metal compounds: electric dipole or quadrupole? journal November 2008
Structure of Na2O�2TiO2 glass journal January 1991
Interaction of slow neutrons with nuclides of scandium, titanium, vanadium and manganese journal June 1993
First-principles simulations of CaO and CaSiO3 liquids: structure, thermodynamics and diffusion journal January 2015
Study on the structure of K2O·2TiO2 glass by X-ray radial distribution analysis journal January 1989
Structure of binary K2OTiO2 and Cs2OTiO2 glasses journal October 1989
Elasticity of aluminate, titanate, stannate and germanate compounds with the perovskite structure journal April 1977
High-temperature creep in fine-grained polycrystalline CaTiO 3 , an analogue material of (Mg, Fe)SiO 3 perovskite journal May 1996
The boundary phase and the melting of CaSiO 3 and MgSiO 3 perovskites journal November 2000
Solidification and thermophysical property studies of barium titanate using electrostatic levitation furnace journal July 2006
Bonding and structure in network glasses journal November 2016
Elasticity of CaSiO3 perovskite at high pressure and high temperature journal May 2006
Elastic and anelastic anomalies in (Ca,Sr)TiO3 perovskites: Analogue behaviour for silicate perovskites journal March 2008
Continuous Structural Transition in Glass-Forming Molten Titanate BaTi 2 O 5 journal November 2016
The Germanate Anomaly in Alkaline Earth Germanate Glasses journal April 2017
Giant Dielectric Constant of Hexagonal BaTiO 3 Crystal Grown by Containerless Processing journal October 2004
Comprehensive Structural Study of Glassy and Metastable Crystalline BaTi 2 O 5 journal January 2009
Exploratory studies of silicate melt structure at high pressures and temperatures by in situ X-ray diffraction journal January 2004
Melting of CaSiO 3 perovskite to 430 kbar and first in-situ measurements of lower mantle eutectic temperatures journal April 1997
Carbon-bearing silicate melt at deep mantle conditions journal April 2017
Local structure of molten AuGa2 under pressure: Evidence for coordination change and planetary implications journal May 2018
Optical super-resolution by high-index liquid-immersed microspheres journal October 2012
Ti K -edge XANES studies of Ti coordination and disorder in oxide compounds: Comparison between theory and experiment journal July 1997
Partial structure factors from disordered materials diffraction data: An approach using empirical potential structure refinement journal September 2005
First-principles simulations of liquid silica: Structural and dynamical behavior at high pressure journal September 2007
Effect of atomic vibrations on the x-ray absorption spectra at the K edge of Al in α -Al 2 O 3 and of Ti in TiO 2 rutile journal March 2010
Structure of molten titanium dioxide journal September 2014
Structural Transformations on Vitrification in the Fragile Glass-Forming System CaAl 2 O 4 journal December 2012
Low Cation Coordination in Oxide Melts journal April 2014
Liquid Alumina: Detailed Atomic Coordination Determined from Neutron Diffraction Data Using Empirical Potential Structure Refinement journal May 2001
Melting Curve of MgO from First-Principles Simulations journal June 2005
Amorphous tantala and its relationship with the molten state journal April 2018
Bond-valence parameters for solids journal April 1991
Discovery of bridgmanite, the most abundant mineral in Earth, in a shocked meteorite journal November 2014
Molten uranium dioxide structure and dynamics journal November 2014
2成分TiO2系ガラスの生成領域とTi`4+´の酸素配位数 journal January 1984
The melting curve of MgO from first principles simulations text January 2005

Cited By (2)

Temperature dependence on phase evolution in the BaTiO 3 polytypes studied using ab initio calculations journal October 2019
Rare‐earth titanate melt structure and glass formation journal May 2019

Similar Records

Continuous Structural Transition in Glass-Forming Molten Titanate BaTi 2 O 5
Journal Article · Wed Nov 30 19:00:00 EST 2016 · Journal of Physical Chemistry. C · OSTI ID:1372300

Rare-earth titanate melt structure and glass formation
Journal Article · Tue Jul 02 20:00:00 EDT 2019 · International Journal of Applied Glass Science · OSTI ID:1574297