Investigation of the Kauzmann paradox in glass forming liquids

• Grant number: 19/09499-4
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: September 01, 2019
• End date: August 31, 2023
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Edgar Dutra Zanotto
• Grantee: Leila Separdar
• 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

An important open fundamental issue in Condensed Matter Physics and Materials Science is the Kauzmann paradox. Is it possible to supercool a liquid (SCL) down to very low temperatures without vitrification or crystallization? In the positive case, the excess entropy of the SCL would become equal or less than the entropy of the equivalent, isochemical crystal. The proposed project - in collaboration with Prof. José Pedro Rino - intends to shed light on this issue using molecular dynamics simulation by the seeding method. (AU)

Scientific publications

(4)

(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)

SEPARDAR, LEILA; RINO, JOSE PEDRO; ZANOTTO, EDGAR DUTRA. Unveiling nucleation dynamics by seeded and spontaneous crystallization in supercooled liquids. COMPUTATIONAL MATERIALS SCIENCE, v. 199, NOV 2021. (19/09499-4)

SEPARDAR, LEILA; RINO, JOSE PEDRO; ZANOTTO, EDGAR DUTRA. Relaxation, crystal nucleation, kinetic spinodal and Kauzmann temperature in supercooled zinc selenide. COMPUTATIONAL MATERIALS SCIENCE, v. 193, p. 8-pg., 2021-03-18. (19/09499-4)

SEPARDAR, LEILA; RINO, JOSE PEDRO; ZANOTTO, EDGAR DUTRA. Molecular dynamics simulations of spontaneous and seeded nucleation and theoretical calculations for zinc selenide. COMPUTATIONAL MATERIALS SCIENCE, v. 187, FEB 1 2021. (19/09499-4)

SEPARDAR, LEILA; RINO, JOSE PEDRO; ZANOTTO, EDGAR DUTRA. Decoding crystal growth kinetics and structural evolution in supercooled ZnSe by molecular dynamics simulation. COMPUTATIONAL MATERIALS SCIENCE, v. 212, p. 8-pg., 2022-09-01. (19/09499-4)