Nuclei entrapment: the pre-nucleation structural ordering of homogeneous nucleating BaO-2SiO2 and CaO-SiO2 glasses

• Grant number: 16/18567-5
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: March 01, 2017
• End date: February 28, 2021
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Agreement: Coordination of Improvement of Higher Education Personnel (CAPES)
• Principal Investigator: Paulo Sergio Pizani
• Grantee: Benjamin John Albert Moulton
• Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil
• Associated research grant: 13/07793-6 - CEPIV - Center for Teaching, Research and Innovation in Glass, AP.CEPID

Abstract

Understanding the structure of glass is critical to creating predictive models for crystal nucleation and growth within glasses. BaO-2SiO2 (BS2) and CaO-SiO2 (CS) glasses are congruently crystallizing glasses that display homogeneous nucleation and have well characterized thermodynamic and kinetic properties. However, their structures have seen limited research. The study will focus on using Raman and X-ray absorption near-edge structure (XANES) spectroscopies to evaluate the role of the modifier cation and silicate network in the homogeneous nucleation processes. Both in situ high temperature analyses will be done to resolve structural changes associated with nucleation in real time. High temperature XANES measurements of the Ba L3-and Ca K -edges will constrain the local environment and behavior of these modifier cations in their respective compositions. High temperature Raman measurements will also constrain the behavior of the modifier cations as well as provide insight intothe Qn species behavior associated with the nucleation process. In addition, ex situ quenched experiments of BS2 and CS glasses will be evaluated to refine the results of the high temperature experiments. These measurements should allow us to interpret the structural evolution of these alkaline earth-bearing silicate glasses in response to the nucleation process. (AU)

Scientific publications

(17)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

MOULTON, BENJAMIN J. A.; RODRIGUES, ALISSON M.; SAMPAIO, DAVID V.; SILVA, LAIS D.; CUNHA, THIAGO R.; ZANOTTO, EDGAR D.; PIZANI, PAULO S.. The origin of the unusual DSC peaks of supercooled barium disilicate liquid. CrystEngComm, v. 21, n. 17, p. 2768-2778, MAY 7 2019. (16/15962-0, 16/18567-5)

HORA, DANIELA A.; SILVA, ARIOSVALDO J. S.; NASCIMENTO, PATRESIO A. M.; SAMPAIO, DAVID V.; MOULTON, BENJAMIN J. A.; SILVA, RONALDO S.; REZENDE, MARCOS V. DOS S.. Effect of the amounts of Li+ additive on the luminescence properties of LiBaPO4:Eu phosphor. Optical Materials, v. 89, p. 329-333, MAR 2019. (16/18567-5, 16/15962-0, 13/07793-6)

EVARISTO, L. L.; MOULTON, B. J. A.; PIZANI, P. S.; BUCHNER, S.. Effect of high pressure on the structure of barium disilicate glass-ceramics. Journal of Non-Crystalline Solids, v. 550, DEC 15 2020. (16/18567-5, 13/07793-6)

SILVA, D. C.; SAMPAIO, V, D.; SILVA, J. H. L.; RODRIGUES, A. M.; PENA, R. B.; MOULTON, B. J. A.; PIZANI, P. S.; RINO, J. P.; SILVA, R. S.. Synthesis of PbO center dot SiO2 glass by CO2 laser melting method. Journal of Non-Crystalline Solids, v. 522, OCT 15 2019. (16/15962-0, 13/07793-6, 16/18567-5, 17/11868-2)

SAMPAIO, V, DAVID; PENA, RAFAELLA B.; MOULTON, BENJAMIN J. A.; REZENDE, V, MARCOS; SILVA, DEYVID DO C.; SILVA, RONALDO S.; DA CUNHA, THIAGO R.; MASTELARO, VALMOR R.; ZANOTTO, EDGAR D.; PIZANI, PAULO S.. Chromium in lead metasilicate glass: Solubility, valence, and local environment via multiple spectroscopy. CERAMICS INTERNATIONAL, v. 48, n. 1, p. 173-178, JAN 1 2022. (16/18567-5, 16/15962-0, 17/11868-2, 13/07793-6, 19/12383-8)

MOULTON, BENJAMIN J. A.; RODRIGUES, ALISSON MENDES; PIZANI, PAULO SERGIO; SAMPAIO, DAVID VIEIRA; ZANOTTO, EDGAR DUTRA. A Raman investigation of the structural evolution of supercooled liquid barium disilicate during crystallization. INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE, v. 9, n. 4, p. 510-517, OCT 2018. (16/18567-5, 16/15962-0, 13/07793-6)

SAMPAIO, V, D.; PICININ, A.; MOULTON, BENJAMIN J. A.; RINO, J. P.; PIZANI, P. S.; ZANOTTO, E. D.. Raman scattering and molecular dynamics investigation of lead metasilicate glass and supercooled liquid structures. Journal of Non-Crystalline Solids, v. 499, p. 300-308, NOV 1 2018. (16/18567-5, 16/15962-0, 13/07793-6)

CARVALHO, IURE DA S.; SILVA, ARIOSVALDO J. S.; NASCIMENTO, PATRESIO A. M.; MOULTON, BENJAMIM J. A.; REZENDE, MARCOS V. DOS S.. The effect of different chelating agent on the lattice stabilization, structural and luminescent properties of Gd3Al5O12:Eu3+ phosphors. Optical Materials, v. 98, DEC 2019. (16/18567-5)

NASCIMENTO, PATRESIO A. M.; SILVA, ARIOVALDO J. S.; CARVALHO, IURE S.; SILVA, RONALDO S.; PASCHOAL, CARLOS WILLIAM A.; MOULTON, BENJAMIN J. A.; SAMPAIO, DAVID V.; FREIRE, R. S.; REZENDE, MARCOS V. DOS S.. Effects of Li addition on the luminescent properties of LiSrPO4:Eu3+ excited with X-ray and ultraviolet radiation. Journal of Alloys and Compounds, v. 836, SEP 25 2020. (16/15962-0, 16/18567-5)

GOMES, EDUARDO O.; MOULTON, BENJAMIN J. A.; CUNHA, THIAGO R.; GRACIA, LOURDES; PIZANI, PAULO S.; ANDRES, JUAN. Identifying and explaining vibrational modes of sanbornite (low-BaSi2O5) and Ba5Si8O21: A joint experimental and theoretical study. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 248, MAR 5 2021. (19/12383-8, 16/18567-5, 13/07793-6)

CUNHA, T. R.; RODRIGUES, A. D.; RODRIGUES, J. E.; SAMPAIO, V, D.; MOULTON, B. J. A.; DA COSTA, R. C.; PIZANI, P. S.. Thermal expansion, compressibility and bulk modulus of ilmenite-type CoTiO3: X-ray diffraction at high pressures and temperatures. SOLID STATE SCIENCES, v. 88, p. 1-5, FEB 2019. (16/15962-0, 13/07793-6, 16/18567-5)

MOULTON, BENJAMIN J. A.; SILVA, LAIS D.; DOERENKAMP, CARSTEN; LOZANO, HAROLD; ZANOTTO, EDGAR D.; ECKERT, HELLMUT; PIZANI, PAULO S.. Speciation and polymerization in a barium silicate glass: Evidence from Si-29 NMR and Raman spectroscopies. CHEMICAL GEOLOGY, v. 586, DEC 30 2021. (13/07793-6, 17/06649-0, 16/18567-5)

EVARISTO, LEONARDO; SILVEIRA, RAFAEL; TISSOT, MATHEUS; HIPPLER, GISELE; MOULTON, BENJAMIN; BUCHNER, SILVIO. Effect of high pressure in barium disilicate glass investigated by DTA and Raman spectroscopy. INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE, v. N/A, p. 7-pg., 2022-08-22. (16/18567-5, 13/07793-6)

MOULTON, BENJAMIN J. A.; SILVA, LAIS D.; SABINO, SIMONE R. F.; EVARISTO, LEONARDO L.; V. SAMPAIO, DAVID; BUCHNER, SILVIO; SERBENA, FRANCISCO C.; PIZANI, PAULO S.; ZANOTTO, EDGAR D.. Unusual crystallization pathways revealed in six barium disilicate (BaSi2O5) glasses. CERAMICS INTERNATIONAL, v. 49, n. 7, p. 12-pg., 2023-02-21. (16/18567-5, 13/07793-6)

CUNHA, T. R.; SAMPAIO, D. V.; PENA, R. B.; MOULTON, B. J. A.; LANCELOTTI, R. F.; ALABARSE, F. G.; RODRIGUES, A. D.; PIZANI, P. S.. Thermal expansion and compressibility of alamosite (PbSiO3) determined by in-situ synchrotron X-ray diffraction. CERAMICS INTERNATIONAL, v. 48, n. 23, p. 5-pg., 2022-11-07. (16/18567-5, 17/11025-5, 17/11868-2, 19/12383-8)

MOULTON, BENJAMIN J. A.; GOMES, EDUARDO O.; CUNHA, THIAGO R.; DOERENKAMP, CARSTEN; GRACIA, LOURDES; ECKERT, HELLMUT; ANDRES, JUAN; PIZANI, PAULO S.. A theoretical and experimental investigation of hetero- vs. homo-connectivity in barium silicates. AMERICAN MINERALOGIST, v. 107, n. 4, p. 13-pg., 2022-04-26. (16/18567-5, 17/06649-0, 13/07793-6, 19/12383-8)

PICININ, BENJAMIN J. A.; PICININ, ADALBERTO; SILVA, LAIS D.; DOERENKAMP, CARSTEN; LOZANO, HAROLD D.; SAMPAIO, DAVID; ZANOTTO, EDGAR D.; DU, JINCHENG S.; ECKERT, HELLMUT; PIZANI, PAULO S.. A critical evaluation of barium silicate glass network polymerization. Journal of Non-Crystalline Solids, v. 583, p. 19-pg., 2022-02-14. (16/18567-5, 17/06649-0, 13/07793-6, 16/15962-0)