12 papers
Exact mean-field phase diagram for self-avoiding active particles in a lattice
Felipe Hawthorne, Cristiano F. Woellner, José A. Freire
We investigate motility-induced phase separation in a lattice gas of self-propelled particles with hard-core exclusion, where an internal director biases particle hopping along the…
CARBON-2D Topological Descriptor (C2DTD): An Interpretable and Physics-Informed Representation for Two-Dimensional Carbon Networks
Felipe Hawthorne, Marcelo Lopes Pereira Junior, Fabiano Manoel de Andrade +2
Two-dimensional (2D) carbon networks, from pristine graphene to defect-rich and amorphous monolayers, exhibit a complex structure-energy landscape governed not only by local bondin…
Interpretable Machine Learning of Nanoparticle Stability through Topological Layer Embeddings
Felipe Hawthorne, Leandro Seixas, James M. Almeida +2
The stability of chemically complex nanoparticles is governed by an immense configurational space arising from heterogeneous local atomic environments across surface and interior r…
Three-Photon Saturable Absorption in Atomically Thin Phlogopite
Nabarun Mandal, Sagnik Chakraborty, Ranjeet Singh +10
Two-dimensional (2D) materials, due to their remarkable physical and chemical properties, hold significant potential for future optical and electrical applications. In this study,…
Hexa-Graphyne: A Transparent and Semimetallic 2D Carbon Allotrope with Distinct Optical Properties
Jhionathan de Lima, Cristiano Francisco Woellner
Herein, we conduct a comprehensive investigation of Hexa-graphyne (HXGY), a planar carbon allotrope formed by distorted hexagonal and rectangular rings incorporating sp and sp-…
Cyclo-Graphyne: A Highly Porous and Semimetallic 2D Carbon Allotrope with Dirac Cones
Jhionathan de Lima, Cristiano Francisco Woellner
We present a comprehensive characterization of Cyclo-graphyne (CGY), an emerging 2D carbon allotrope with a porous structure of sp/sp-hybridized carbon atoms. Using density fun…