The influence of molecular shape on glass-forming behavior in a minimalist trimer model
MVU Wassermann, ER Soulé, C Balbuena - Soft Matter, 2023 - pubs.rsc.org
In this study, we employed molecular dynamics simulations to probe the influence of
molecular morphological changes on the dynamic behavior of a model consisting of trimer …
molecular morphological changes on the dynamic behavior of a model consisting of trimer …
From disorder to order: A dynamic approach to mesophase formation in soft sphere model
MV Uranga Wassermann, ER Soulé… - The Journal of Chemical …, 2024 - pubs.aip.org
This study explores the dynamics of self-assembly and mesophase formation through
molecular dynamics simulations of hexagonal and lamellar systems using a simplified …
molecular dynamics simulations of hexagonal and lamellar systems using a simplified …
A structural study and its relation to dynamic heterogeneity in a polymer glass former
C Balbuena, MM Gianetti, ER Soulé - Soft Matter, 2021 - pubs.rsc.org
The relationship between structure and dynamical behavior (super-Arrhenius temperature
dependence of relaxation time accompanied by heterogeneous dynamics) in glassy …
dependence of relaxation time accompanied by heterogeneous dynamics) in glassy …
Neural networks reveal the impact of the vibrational dynamics in the prediction of the long-time mobility of molecular glassformers
Two neural networks (NN) are designed to predict the particle mobility of a molecular
glassformer in a wide time window ranging from vibrational dynamics to structural relaxation …
glassformer in a wide time window ranging from vibrational dynamics to structural relaxation …
An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
C Balbuena, ER Soulé - Journal of Physics: Condensed Matter, 2019 - iopscience.iop.org
Dynamic slowdown of liquids, leading to a breakdown of Arrhenius behavior of relaxation
and Stokes–Einstein relationship (SER), as the glass transition is approached, is still not …
and Stokes–Einstein relationship (SER), as the glass transition is approached, is still not …
Static and dynamic correlation lengths in supercooled polymers
C Balbuena, MM Gianetti, ER Soulé - The Journal of Chemical Physics, 2019 - pubs.aip.org
A key point to understand the glass transition is the relationship between structural and
dynamic behavior experienced by a glass former when it approaches T g. In this work, the …
dynamic behavior experienced by a glass former when it approaches T g. In this work, the …
Structural (dis) order and dynamic propensity in a mildly undercooled glass-forming liquid: Spatial correlations and the role of crystalline environments
MSG Razul, GS Matharoo, B Viswanathan - Physica A: Statistical …, 2021 - Elsevier
We use the isoconfigurational (IC) ensemble to show the connection between emerging
heterogeneities in the tetrahedral order parameter and the dynamic propensity in a mildly …
heterogeneities in the tetrahedral order parameter and the dynamic propensity in a mildly …
Mutual information, vibrational scaling, short-time dynamical heterogeneity and secondary relaxation in coarse-grained polymer systems
A Tripodo - 2021 - tesidottorato.depositolegale.it
Understanding the extraordinary viscous slow-down that accompanies glass formation is
one of the major open challenges in condensed matter physics. On approaching the glass …
one of the major open challenges in condensed matter physics. On approaching the glass …