Bridging the Gap

updated on September 12, 2023


WS.I BRIDGING THE GAP BETWEEN ATOMISTIC MODELING AND CONTINUUM MECHANICS September 20
*Co-organized with:*

WORKSHOP COMMITTEE: Patrizia TROVALUSCI, Sapienza University of Rome Nicholas FANTUZZI, University of Bologna Razieh IZADI, Sapienza University of Rome Marco PINGARO, Sapienza University of Rome
The workshop "Bridging the Gap between Atomistic Modeling and Continuum Mechanics" aims at exploring the challenges and opportunities in connecting two fundamental approaches in materials science and engineering. Atomistic and continuum modeling are both widely used to study the behavior of materials at different length and time scales. Atomistic modeling offers a detailed understanding of the material behavior at the atomic level, while continuum mechanics provides an efficient macroscopic view of the material properties and behavior. Despite their differences, these two approaches can be complementary in providing a comprehensive and efficient understanding of materials behavior. By combination of atomistic and continuum descriptions, one can benefit from the efficiency of continuum description while preserving the accuracy of detailed atomistic modeling. However, bridging the gap between atomistic simulation and continuum modeling requires overcoming several challenges, such as the lack of direct communication between the two approaches, and the difficulty of reconciling the different scales and assumptions used in each method. This dichotomy can be by-passed by resorting to multiscale procedures allowing to preserve memory at the continuum macroscopic scale of the material internal structure (at the micro/nano scale). Particular attention will be devoted to non-standard/non-local continuous ormulations, in order to account for the material internal lengths and to deal with scale effects. The minisymposium will bring together researchers and practitioners from different fields to present their recent work, discuss the latest developments, and share their experiences in bridging the gap between atomistic simulation and continuum modeling. The general aim is to foster a better understanding of the strengths and limitations of both atomistic simulation and continuum modeling and to explore new ways to integrate the two approaches to advance our knowledge of materials behavior. The symposium will also provide a platform for networking and collaboration among researchers, practitioners, and industry professionalsinterested in this exciting and rapidly evolving field.

September 20
09:00 - 10:30 Computational methods in the presence of nanoscopic structures and phenomena WS.I.1 - TT.I.G
Chair: Patrizia TROVALUSCI, University of Rome
WS.I.1.1 TT.I.E.1	George STEFANOU University of Thessaloniki, Greece A stochastic multiscale framework for modeling graphene nanoplatelets
WS.I.1.2 TT.I.E.2	Mahmood JABAREEN Technion - Israel of Technology, Israel Computational homogenization of nearly incompressible composites
WS.I.1.3 TT.I.E.3	Aram CORNAGGIA University of Bergamo Computational elastoplastic structural analysis of carbon nanotubes
WS.I.1.4 TT.I.E.4	Milan GAFF Mendel University in Brno, Czech Republic Enhancing Fire Resistance Properties of Thermally Modified Robinia Pseudoacacia Wood Using Natural and Synthetic Fire-Retardants, modified by nanoparticels: Chemical Characterization and Burning Behavior
10:50 - 11:30 Parallel Lecture
Chair: Reuven SEGEV, Ben-Gurion University of the Negev, Israel
PL.I.C	Raffaele BARRETTA University of Naples "Federico II" Challenges and achievements in nonlocal mechanics of nanostructures

11:30 - 13:00 The use of nonclassical/non-local continuua for describing heterogeneous media from nano to macro scales WS.I.2 - TT.II.G
Reuven SEGEV, Ben-Gurion University of the Negev, Israel
WS.I.2.1 TT.II.G.1	Meral TUNA Sapienza University of Rome Size-Dependent Mechanical Behaviour of Carbon Nanotubes: Non-Classical Micropolar Continuum and Molecular Dynamics Simulations
WS.I.2.2 TT.II.G.2	Emanuele RECCIA University of Cagliari Cosserat-point approach for material with internal structure
WS.I.2.3 TT.II.G.3	Avraam KONSTANTINIDIS (on line) Aristotle University of Thessaloniki, Greece On combined gradient – stochastic models
WS.I.2.4 TT.II.G.4	Abdol Majid REZAEL Sapienza University of Rome Molecular dynamics simulation and multiscale micropolar modelling for 3D printed biodegradable polymers
WS.I.2.5 TT.II.G.5	Ugo GALVANETTO (online) University of Padova New trends in applied computational peridynamics

14:00 - 15:30 Discrete to continuum modelling of heterogenous materials and continuous media WS.I.3 - TT.III.G
Chair: Mahmood JABAREEN, Technion - Israel of Technology, Haifa, Israel
WS.I.3.1 TT.III.G.1	Reuven SEGEV Ben-Gurion University of the Negev, Israel Material Defects: From Discrete Modelling to Continuous Distributions to Singular Distributions
WS.I.3.2 TT.III.G.2	Marco COLATOSTI Sapienza University of Rome On the mechanical behaviour of microstructured materials with different symmetry class modelled as discrete and continuous systems
WS.I.3.3 TT.III.G.3	Razie IZADI Sapienza University of Rome A Hierarchical Molecular Dynamics and Peridynamics Approach to study Fracture of Green Nano Fibrous Network
WS.I.3.4 TT.III.G.4	Greta ONGARO Sapienza University of Rome Multiscale procedure for modelling mechanical properties of epoxy-based nanocomposites. Comparison between different computational approaches and experimental results

16:00 - 17:30 Multiphisics modelling for complex materials and structures WS.I.4 - TT.IV.G
Chair: Raffaele BARRETTA, University of Naples Federico II
WS.I.4.1 TT.IV.G.1	Martin OSTOJA-STARZEWSKI University of Illinois at Urbana-Champaign, USA Violations of the dissipation inequality in molecular fluids and granular media
WS.I.4.2 TT.IV.G.2	Alessio Ciro RAPISARDA University Federico II of Naple From swarm to material deformations
WS.I.4.3 TT.IV.G.3	Iman MORADI Sapienza University of Rome The influence of tube layout on heat transfer and tortuosity, a Lattice Boltzmann Method simulation
WS.I.4.4 TT.IV.G.4	Tahereh IZADI Kermanshah University of Technology, IRAN The study of micro-particle concentration inside the subway station with a comparison of continuum and discrete description