Kinetic processes in glass and formulation of new glasses using machine learning

• Grant number: 17/12491-0
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: October 01, 2017
• End date: June 30, 2021
• Field of knowledge: Engineering - Materials and Metallurgical Engineering - Nonmetallic Materials
• Principal Investigator: Edgar Dutra Zanotto
• Grantee: Daniel Roberto Cassar
• 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
• Associated scholarship(s): 19/26460-4 - Finding empirical equations to predict glass properties using genetic programming-based symbolic regression, BE.EP.PD

Abstract

Heated glasses undergo a variety of kinetic processes that are very important both scientifically and technologically, such as crystallization. When controlled, crystallization is the key to make glass-ceramics but it must be avoided in order to make a glass. In this research we will study some microscopic aspects of crystallization. For example, we want to investigate the eluding "diffusional entity" that controls this process. We are also interested in the initial stages of formation of a critical crystal nucleus, as well as in the average time to form the first critical nucleus. In addition, we seek to develop an artificial neural network (ANN) that is able to predict the glass forming ability (GPA) of complex, multi-component compositions. GPA is inversely related to the easiness to crystallize. With this ANN and forty years of our group's accumulated knowledge, we hope to accelerate the development of new and interesting glass composition which may display unusual properties.

Scientific publications

(18)

(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.)

JIUSTI, JEANINI; CASSAR, DANIEL R.; ZANOTTO, EDGAR D.. Which glass stability parameters can assess the glass-forming ability of oxide systems?. INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE, APR 2020. (17/12491-0, 13/07793-6)

RAMIREZ ACOSTA, MARIA HELENA; RODRIGUES, LORENA RAPHAEL; CASSAR, DANIEL ROBERTO; MONTAZERIAN, MAZIAR; PEITL FILHO, OSCAR; ZANOTTO, EDGAR DUTRA. Further evidence against the alleged failure of the classical nucleation theory below the glass transition range. Journal of the American Ceramic Society, MAY 2021. (13/07793-6, 17/12491-0)

WILKINSON, COLLIN J.; CASSAR, DANIEL R.; DECEANNE, V, ANTHONY; KIRCHNER, KATELYN A.; MCKENZIE, MATTHEW E.; ZANOTTO, EDGAR D.; MAURO, JOHN C.. Energy landscape modeling of crystal nucleation. ACTA MATERIALIA, v. 217, SEP 15 2021. (17/12491-0, 13/07793-6)

RAMIREZ ACOSTA, MARIA HELENA; RODRIGUES, LORENA RAPHAEL; CASSAR, DANIEL ROBERTO; MONTAZERIAN, MAZIAR; PEITL FILHO, OSCAR; ZANOTTO, EDGAR DUTRA. Further evidence against the alleged failure of the classical nucleation theory below the glass transition range. Journal of the American Ceramic Society, v. 104, n. 9, p. 4537-4549, SEP 2021. (13/07793-6, 17/12491-0)

CASSAR, R. DANIEL; MASTELINI, SAULO MARTIELLO; BOTARI, TIAGO; ALCOBACA, EDESIO; DE CARVALHO, C. P. L. F. ANDRE; ZANOTTO, D. EDGAR. Predicting and interpreting oxide glass properties by machine learning using large datasets. CERAMICS INTERNATIONAL, v. 47, n. 17, p. 23958-23972, SEP 1 2021. (18/14819-5, 13/07375-0, 17/12491-0, 13/07793-6, 18/07319-6)

LANCELOTTI, RICARDO FELIPE; CASSAR, DANIEL ROBERTO; NALIN, MARCELO; PEITL, OSCAR; ZANOTTO, EDGAR DUTRA. Is the structural relaxation of glasses controlled by equilibrium shear viscosity?. Journal of the American Ceramic Society, v. 104, n. 5, JAN 2021. (17/12491-0, 19/15108-8, 13/07793-6)

CASSAR, DANIEL R.; DE CARVALHO, ANDRE C. P. L. F.; ZANOTTO, EDGAR D.. Predicting glass transition temperatures using neural networks. ACTA MATERIALIA, v. 159, p. 249-256, OCT 15 2018. (13/07375-0, 17/12491-0, 13/07793-6)

CASSAR, DANIEL R.. Solving the classical nucleation theory with respect to the surface energy. Journal of Non-Crystalline Solids, v. 511, p. 183-185, MAY 1 2019. (17/12491-0)

ZANOTTO, EDGAR D.; CASSAR, DANIEL R.. The race within supercooled liquids-Relaxation versus crystallization. Journal of Chemical Physics, v. 149, n. 2, JUL 14 2018. (13/07793-6, 17/12491-0)

JIUSTI, JEANINI; ZANOTTO, EDGAR D.; CASSAR, DANIEL R.; ANDREETA, MARCELLO R. B.. Viscosity and liquidus-based predictor of glass-forming ability of oxide glasses. Journal of the American Ceramic Society, v. 103, n. 2, SEP 2019. (17/12491-0, 13/07793-6)

CASSAR, DANIEL R.. ViscNet: Neural network for predicting the fragility index and the temperature-dependency of viscosity. ACTA MATERIALIA, v. 206, MAR 2021. (17/12491-0)

JIUSTI, JEANINI; CASSAR, DANIEL R.; ZANOTTO, EDGAR D.. Which glass stability parameters can assess the glass-forming ability of oxide systems?. INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE, v. 11, n. 4, p. 10-pg., 2020-04-03. (13/07793-6, 17/12491-0)

KIRCHNER, KATELYN A.; CASSAR, DANIEL R.; ZANOTTO, EDGAR D.; ONO, MADOKA; KIM, SEONG H.; DOSS, KARAN; BEDKER, MIKKEL L.; SMEDSKJAER, MORTEN M.; KOHARA, SHINJI; TANG, LONGWEN; et al. Beyond the Average: Spatial and Temporal Fluctuations in Oxide Glass-Forming Systems. CHEMICAL REVIEWS, v. N/A, p. 67-pg., 2022-05-05. (13/07793-6, 15/13314-9, 17/12491-0)

ALCOBACA, EDESIO; MASTELINI, SAULO MARTIELLO; BOTARI, TIAGO; PIMENTEL, BRUNO ALMEIDA; CASSAR, DANIEL ROBERTO; DE LEON FERREIRA DE CARVALHO, ANDRE CARLOS PONCE; ZANOTTO, EDGAR DUTRA. Explainable Machine Learning Algorithms For Predicting Glass Transition Temperatures. ACTA MATERIALIA, v. 188, p. 92-100, APR 15 2020. (17/12491-0, 13/07375-0, 18/07319-6, 17/06161-7, 17/20265-0, 13/07793-6, 18/14819-5)

CASSAR, DANIEL R.; SANTOS, GISELE G.; ZANOTTO, EDGAR D.. Designing optical glasses by machine learning coupled with a genetic algorithm. CERAMICS INTERNATIONAL, v. 47, n. 8, p. 10555-10564, APR 15 2021. (13/07793-6, 17/12491-0)

MASTELINI, SAULO MARTIELLO; CASSAR, DANIEL R.; ALCOBACA, EDESIO; BOTARI, TIAGO; DE CARVALHO, ANDRE C. P. L. F.; ZANOTTO, EDGAR D.. Machine learning unveils composition-property relationships in chalcogenide glasses. ACTA MATERIALIA, v. 240, p. 13-pg., 2022-09-09. (18/14819-5, 13/07793-6, 17/12491-0, 18/07319-6, 17/06161-7, 13/07375-0)

DOS PASSOS, RODRIGO CARDOSO; CASSAR, DANIEL ROBERTO; ZANOTTO, EDGAR DUTRA. Crystallization and relaxation dynamics of glass-forming liquids at the Kauzmann temperature. CERAMICS INTERNATIONAL, v. 48, n. 10, p. 12-pg., 2022-04-06. (13/07793-6, 19/20978-1, 17/12491-0)

CASSAR, DANIEL R.; SERRA, ANDRE H.; PEITL, OSCAR; ZANOTTO, EDGAR D.. Critical assessment of the alleged failure of the Classical Nucleation Theory at low temperatures. Journal of Non-Crystalline Solids, v. 547, p. 10-pg., 2020-11-01. (13/07793-6, 17/12491-0)