Experimental and computational physics of fullerenes and their nanocomposites: Synthesis, thermo-mechanical characteristics and nanomedicine applications
It is an established paradigm in the emerging fields of nanoscience, nanotechnology and
molecular engineering that a very important domain of fundamental research is associated …
molecular engineering that a very important domain of fundamental research is associated …
Thermal and mechanical properties of nano-carbon-reinforced polymeric nanocomposites: A review
Carbon nanomaterials are an emerging class of nano-reinforcements to substitute for metal-
based nanomaterials in polymer matrices. These metal-free nano-reinforcement materials …
based nanomaterials in polymer matrices. These metal-free nano-reinforcement materials …
A Hierarchical Nano to Micro Scale Modelling of 3D Printed Nano-Reinforced Polylactic Acid: Micropolar Modelling and Molecular Dynamics Simulation
Fused deposition modelling (FDM) is an additive manufacturing technique widely used for
rapid prototy**. This method facilitates the creation of parts with intricate geometries …
rapid prototy**. This method facilitates the creation of parts with intricate geometries …
[HTML][HTML] Fracture properties of green nano fibrous network with random and aligned fiber distribution: A hierarchical molecular dynamics and peridynamics approach
Polylactic acid (PLA) nanofibrous networks have gained substantial interest across various
engineering and scientific disciplines, such as tissue engineering, drug delivery, and …
engineering and scientific disciplines, such as tissue engineering, drug delivery, and …
[HTML][HTML] Thermomechanical characteristics of green nanofibers made from polylactic acid: An insight into tensile behavior via molecular dynamics simulation
All-atom molecular dynamics simulations are conducted to elucidate the thermomechanical
characteristics of polylactic acid nanofibers with a diameter range of 1.93 nm–5.4 nm …
characteristics of polylactic acid nanofibers with a diameter range of 1.93 nm–5.4 nm …
Bending characteristics of carbon nanotubes: Micropolar elasticity models and molecular dynamics simulations
The present paper aims at evaluating non-classical continuum parameters for each class of
armchair and zigzag single-walled CNTs focusing on the scale effect in their flexural …
armchair and zigzag single-walled CNTs focusing on the scale effect in their flexural …
A finite element approach for addressing the interphase modulus and size interdependency and its integration into micromechanical elastic modulus prediction in …
The perturbed transitional area between the nanoparticle and matrix shapes the properties
of polymer nanocomposites. Due to the stochastic nature of these interphase regions, their …
of polymer nanocomposites. Due to the stochastic nature of these interphase regions, their …
The deep-learning-based evolutionary framework trained by high-throughput molecular dynamics simulations for composite microstructure design
S Chen, N Xu - Composite Structures, 2023 - Elsevier
The interfacial shear behavior, including the elastic deformation stage, the debonding stage
and the sliding stage, is of critical importance in determining the overall performance of a …
and the sliding stage, is of critical importance in determining the overall performance of a …
Unified micromechanics of magnetoelectric fibrous, particulate, and laminated composite materials
C Lin - International Journal of Mechanical Sciences, 2025 - Elsevier
This work presents a unified unit-cell micromechanics model, a novel approach for
effectively predicting the fully coupled thermo-magneto-electro-elastic properties of …
effectively predicting the fully coupled thermo-magneto-electro-elastic properties of …
Study of the Unstable Rotational Dynamics of a Tor-Fullerene Molecular System
V Borodin, M Bubenchikov, A Bubenchikov… - Crystals, 2023 - mdpi.com
This work is devoted to modeling the dynamics of large molecules. The key issue in
modeling the dynamics of real molecular systems is to correctly represent the temperature of …
modeling the dynamics of real molecular systems is to correctly represent the temperature of …