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Elucidating structural rearrangements during glass relaxation and crystallization

Grant number: 19/26399-3
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Effective date (Start): November 01, 2020
Effective date (End): 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 - CEPIV - Center for Teaching, Research and Innovation in Glass, AP.CEPID


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 (11)
(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)
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)
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)
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)
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)
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)

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