Mesoscopic architecture of lignocellulosic fibers

• Grant number: 19/19662-0
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: February 01, 2020
• End date: January 31, 2022
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Munir Salomao Skaf
• Grantee: Daniel Lucas Zago Caetano
• Host Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated research grant: 13/08293-7 - CCES - Center for Computational Engineering and Sciences, AP.CEPID

Abstract

In this project, we will apply structural topology optimization techniques based on finite element methods (FEM) and atomistic or particulate descriptions (Molecular Dynamics - MD or Discrete Element Method - DEM) of the different polymeric constituents to study thermal and mechanical properties of lignocellulosic fibers. The main challenge is to propose new evolutionary strategies to identify structural models and to estimate the topology of lignocellulosic materials based on predefined thermal and mechanical properties.

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)

CAJAHUARINGA, SAMUEL; ZANOTTO, LEANDRO N.; CAETANO, DANIEL L. Z.; RIGO, SANDRO; YVIQUEL, HERVE; SKAF, MUNIR S.; ARAUJO, GUIDO; IEEE COMP SOC. Ion-Molecule Collision Cross-Section Simulation using Linked-cell and Trajectory Parallelization. 2022 IEEE 34TH INTERNATIONAL SYMPOSIUM ON COMPUTER ARCHITECTURE AND HIGH PERFORMANCE COMPUTING (SBAC-PAD 2022), v. N/A, p. 10-pg., 2022-01-01. (12/24750-6, 16/04963-6, 13/08293-7, 21/03224-3, 19/19662-0)

CAETANO, DANIEL L. Z.; CARVALHO, SIDNEY J. DE; V. BOSSA, GUILHERME; MAY, SYLVIO. Monte Carlo simulations and mean-field modeling of electric double layers at weakly and moderately charged spherical macroions. Physical Review E, v. 104, n. 3, SEP 23 2021. (18/01841-2, 19/19662-0, 13/08293-7, 17/21772-2)

CAETANO, DANIEL L. Z.; METZLER, RALF; CHERSTVY, ANDREY G.; DE CARVALHO, SIDNEY J.. Adsorption of lysozyme into a charged confining pore. Physical Chemistry Chemical Physics, v. 23, n. 48, NOV 2021. (13/08293-7, 18/01841-2, 19/19662-0)

CAJAHUARINGA, SAMUEL; CAETANO, DANIEL L. Z.; ZANOTTO, LEANDRO N. N.; ARAUJO, GUIDO; SKAF, MUNIR S. S.. MassCCS: A High-Performance Collision Cross-Section Software for Large Macromolecular Assemblies. JOURNAL OF CHEMICAL INFORMATION AND MODELING, v. 63, n. 11, p. 10-pg., 2023-05-15. (13/08293-7, 19/19662-0, 21/03224-3)