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Elucidating structural rearrangements during glass relaxation and crystallization

Grant number: 19/26399-3
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Start date: November 01, 2020
End date: October 31, 2024
Field of knowledge:Engineering - Materials and Metallurgical Engineering
Principal Investigator:Edgar Dutra Zanotto
Grantee:Henrik Bradtmüller
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 - CeRTEV - Center for Research, Technology and Education in Vitreous Materials, AP.CEPID

Abstract

Glasses are a class of materials with fundamental importance for humankind stemming from numerous basic and high-technology applications. Due to the wide spectrum of attainable physical and mechanical properties glass research receives considerable attention from both private enterprises and academic research facilities worldwide. Despite all efforts, the characterization of these thermodynamically unstable materials remains inherently challenging. The lack of long-range structural order renders applications of the powerful X-ray diffraction futile. In pursuit of fully grasping glass structure, local ordering on the sub-nanometer length scale has to be probed, however, currently there are only few suitable methodological means to this end. Even though significant progress in the understanding of glass structure has been made in the last decades, dynamic processes and structural rearrangements occurring during the thermal relaxation or crystallization of glasses are especially poorly understood. Recent studies point out the special role of the intermediate-range order in glasses - i.e., structural order in dimensions between about 0.3 to 0.5 nm - to give potentially crucial insights into devitrification processes. In order to improve the fundamental understanding of this problem, we propose an interdisciplinary approach, combining Raman and advanced solid-state Nuclear Magnetic Resonance (NMR) spectroscopies with Molecular Dynamics (MD) simulations. Finally, the especially challenging elucidation of intermediate-range order for network-modifier species now moves into grasp, using NMR methods recently elaborated by the applicant. (AU)

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Scientific publications (19)
(The scientific publications listed on this page originate from the Web of Science or SciELO databases. Their authors have cited FAPESP grant or fellowship project numbers awarded to Principal Investigators or Fellowship Recipients, whether or not they are among the authors. This information is collected automatically and retrieved directly from those bibliometric databases.)
CICCONI, MARIA RITA; KIMURA, KOJI; BRADTMULLER, HENRIK; DENG, HONGYI; KOHARA, SHINJI; ONODERA, YOHEI; HAYAKAWA, TOMOKATSU; SHIMONO, SEIYA; HAYASHI, KOICHI; DE LIGNY, DOMINIQUE. Unraveling the structural complexity of niobate units in aluminosilicate glasses and glass-ceramics. MATERIALS ADVANCES, v. 6, n. 12, p. 12-pg., . (13/07793-6, 19/26399-3, 22/01286-4)
COHN, NICOLAS; BRADTMUELLER, HENRIK; ZANOTTO, EDGAR; VON MARTTENS, ALFREDO; COVARRUBIAS, CRISTIAN. Novel Organic-Inorganic Nanocomposite Hybrids Based on Bioactive Glass Nanoparticles and Their Enhanced Osteoinductive Properties. BIOMOLECULES, v. 14, n. 4, p. 22-pg., . (19/26399-3, 13/07793-6)
SALMON, PHILIP S.; LANGE, ESTHER GIRON; ZEIDLER, ANITA; BRADTMUELLER, HENRIK; ENSUNCHO, LAUREANO; CUELLO, GABRIEL J.; ECKERT, HELLMUT. Transition from a phosphate to niobate network structure in vitreous Nb2O5-NaPO3. Journal of Chemical Physics, v. 163, n. 14, p. 17-pg., . (22/14232-0, 22/01937-5, 19/26399-3, 13/07793-6)
BRADTMULLER, HENRIK; ZHENG, QIUJU; ECKERT, HELLMUT; ZANOTTO, EDGAR D.. Quantitative structural characterization of LiNbO3-SiO2 glass-ceramics by multinuclear solid-state NMR. Journal of Non-Crystalline Solids, v. 641, p. 11-pg., . (19/26399-3, 13/07793-6)
PENA, RAFAELLA BARTZ; BRADTMULLER, HENRIK; ENSUNCHO, LAUREANO; DE OLIVEIRA JR, MARCOS; ECKERT, HELLMUT. Incorporation mechanisms of niobium into lithium borate glasses: Insights from solid state nuclear magnetic resonance and Raman spectroscopy. Journal of Non-Crystalline Solids, v. 674, p. 13-pg., . (19/26399-3, 22/01937-5, 19/12885-3, 23/17069-5, 13/07793-6)
MARCONDES, LIA MARA; BRADTMUELLER, HENRIK; DOS SANTOS, SABRINA NICOLETI CARVALHO; NOLASCO, LUCAS KONAKA; MENDONCA, CLEBER RENATO; SANTAGNELI, SILVIA HELENA; POIRIER, GAEL YVES; NALIN, MARCELO. Structural and luminescence characterization of europium-doped niobium germanate glasses and glass-ceramics: Novel insights from 93Nb solid-state NMR spectroscopy. CERAMICS INTERNATIONAL, v. 48, n. 14, p. 8-pg., . (13/07793-6, 19/26399-3, 20/01786-1)
TAGIARA, N. S.; CHATZIPANAGIS, I, K.; BRADTMUELLER, H.; RODRIGUES, A. C. M.; MONCKE, D.; KAMITSOS, I, E.. Network former mixing effects in alkali germanotellurite glasses: A vibrational spectroscopic study. Journal of Alloys and Compounds, v. 882, . (17/02953-6, 19/26399-3)
STONE-WEISS, NICHOLAS; BRADTMUELLER, HENRIK; ECKERT, HELLMUT; GOEL, ASHUTOSH. Composition-Structure-Solubility Relationships in Borosilicate Glasses: Toward a Rational Design of Bioactive Glasses with Controlled Dissolution Behavior. ACS APPLIED MATERIALS & INTERFACES, v. 13, n. 27, p. 31495-31513, . (13/07793-6, 19/26399-3)
DA SILVA, RITA MENDES; ZEIDLER, ANITA; BRADTMULLER, HENRIK; ECKERT, HELLMUT; FISCHER, HENRY E.; BENMORE, CHRIS J.; SALMON, PHILIP S.. Structure of amorphous materials in the NASICON system Na 1+x Ti2Si x P 3-x O-12. JOURNAL OF PHYSICS-CONDENSED MATTER, v. 35, n. 27, p. 9-pg., . (19/26399-3, 13/07793-6)
AKRAMI, NEGAR; GHANAD, MEHRNOOSH; KEIL, PHILIPP; BRADTMULLER, HENRIK; HANSEN, MICHAEL RYAN; KARGOZAR, SAEID; KHAKI, JALIL VAHDATI; BEIDOKHTI, SAHAR MOLLAZADEH. Microstructural Properties and in vitro Dissolution of Microporous Bioactive 13-93B3 Glass Powders Synthesized via Solution Combustion Synthesis. Journal of Non-Crystalline Solids, v. 615, p. 12-pg., . (19/26399-3)
BRADTMUELLER, HENRIK; ZHENG, QIUJU; GADDAM, ANURAAG; ECKERT, HELLMUT; ZANOTTO, EDGAR D.. Structural impact of niobium oxide on lithium silicate glasses: Results from advanced interaction-selective solid-state nuclear magnetic resonance and Raman spectroscopy. ACTA MATERIALIA, v. 255, p. 15-pg., . (19/26399-3, 13/07793-6, 21/06370-0)
WUEBKER, ANNA-LENA; KOPPE, JONAS; BRADTMUELLER, HENRIK; KEWELOH, LUKAS; PLESCHKA, DAMIAN; UHL, WERNER; HANSEN, MICHAEL RYAN; ECKERT, HELLMUT. Solid-State Nuclear Magnetic Resonance Techniques for the Structural Characterization of Geminal Alane-Phosphane Frustrated Lewis Pairs and Secondary Adducts. CHEMISTRY-A EUROPEAN JOURNAL, v. 27, n. 52, . (13/07793-6, 19/26399-3)
CAMPOS, JOAO, V; LAVAGNINI, ISABELA R.; DE SOUZA, THALIA D.; SILVA, LAIS D.; JESUS, LILIAN M.; BRADTMUELLER, HENRIK; ZANOTTO, EDGAR D.; RODRIGUES, ANA C. M.. Power ramp flash crystallization of a lithium silicate-based glass for dental applications: Structural insights and mechanical properties. ACTA MATERIALIA, v. 284, p. 13-pg., . (23/18168-7, 22/13532-0, 13/07793-6, 21/06509-9, 19/26399-3, 23/18171-8)
FALEIRO, JOSE HENRIQUE; DANTAS, NOELIO O.; SILVA, ANIELLE C. A.; BARBOSA, HELLIOMAR P.; SILVA, BRUNO H. S. T. DA; LIMA, KARMEL DE O.; SILVA, GUILHERME DE FREITAS; GONSALVES, ROGERIA ROCHA; FALCI, RODRIGO; MESSADEQ, YOUNES; et al. Niobium incorporation into rare-earth doped aluminophosphate glasses: Structural characterization, optical properties, and luminescence. Journal of Non-Crystalline Solids, v. 605, p. 11-pg., . (20/05319-9, 13/07793-6, 19/26399-3, 18/18213-4)
GHANAD, MEHRNOOSH; AKRAMI, NEGAR; KEIL, PHILIPP; BRADTMUELLER, HENRIK; HANSEN, MICHAEL RYAN; KHAKI, JALIL VAHDATI; BEIDOKHTI, SAHAR MOLLAZADEH. Single-step solution combustion synthesis of porous 1393-B3 glass powders and structural characterization via solid-state NMR spectroscopy. CERAMICS INTERNATIONAL, v. 49, n. 9, p. 13-pg., . (19/26399-3)
BRADTMUELLER, HENRIK; GADDAM, ANURAAG; ECKERT, HELLMUT; ZANOTTO, EDGAR D.. Structural rearrangements during sub- T g relaxation and nucleation in lithium disilicate glass revealed by a solid-state NMR and MD strategy. ACTA MATERIALIA, v. 240, p. 13-pg., . (13/07793-6, 19/26399-3, 21/06370-0)
COSTA, MARIA J. F.; GONCALVES, ALEXANDRE A. S.; RINALDI, ROBERTO; BRADTMUELLER, HENRIK; ECKERT, HELLMUT; FERREIRA, EDUARDO B.. Highly porous niobium-containing silica glasses applied to the microwave-assisted conversion of fructose into HMF. Catalysis Communications, v. 174, p. 10-pg., . (16/14165-0, 19/26399-3, 13/07793-6, 19/12884-7)
ZIELASKO, WIEBKE; DE OLIVEIRA, RAFAEL BONACIN; ZANOTTO, EDGAR DUTRA; HANSEN, MICHAEL RYAN; ECKERT, HELLMUT; BRADTMULLER, HENRIK. Contrasting structural roles of Nb2O5 vs. La2O3 in silicate glasses: a quantitative solid-state NMR study. ACTA MATERIALIA, v. 297, p. 11-pg., . (19/26399-3, 13/07793-6)
ENSUNCHO, LAUREANO; BRADTMUELLER, HENRIK; SALMON, PHILIP S.; ECKERT, HELLMUT. Structural Role of Nb2O5 in Phosphate Glasses: An Advanced Solid-State NMR Protocol for the Glass System xNb2O5-(100-x)NaPO3. Journal of the American Chemical Society, v. 147, n. 34, p. 18-pg., . (22/14232-0, 19/26399-3, 13/07793-6, 22/01937-5)