S08 Nanomaterials and nanocomposites, their properties and applications [download abstracts]

List of abstracts

ID 185: A new concept of epoxy resin composite doped with carbon-based nanoparticles: manufacturing, experiment and modeling – S. Wilczewski, Z. Nowak, R. Pęcherski, M. Giersig

ID 225: Critical thickness evolutution during the subsequent epitaxial layers growthP. Dłużewski

ID 268: Design of nanostructures based on molybdenumT. Burczyński, W. Kuś, M. Maździarz, A. Mrozek

ID 282: Development of constitutive relations of viscoplasticity accounting for shear bandingR. Pęcherski, Z. Nowak

ID 306: Specific properties of nanomaterials and their potential in technical applications (keynote) – M. Giersig


ID 185

A new concept of epoxy resin composite doped with carbon-based nanoparticles: manufacturing, experiment and modeling

Sławomir Wilczewski1, Zdzisław Nowak1, Ryszard Pęcherski1, Michał Giersig1

1 Department of Theory of Continuous Media and Nanostructures, IPPT PAN, Poland


Our studies investigated the elastic-plastic properties and strength of epoxy resin matrices promoted with different concentrations of carbon-based nanomaterials.
Multiwall carbon nanotubes (MWCNT) and graphene nanopowder xGNP-M-5 (XG Science), in the manufacture of epoxy L20/graphene composites, specific amounts of resin were mixed with hardener and graphene and oxidized graphene in 0.1, 0.5, 1, 2.4% by weight, prepared. The resulting mixtures were degassed under vacuum (-1 bar) and poured into silicone molds. The composites were left in the fume hood to cure for 24 hours and then heated at 120℃ for 96 hours. A similar procedure was used for the fabrication of MWCNT/Resin composite.
The mechanical response of epoxy networks was investigated under uniaxial tension and compression at low strain rates, using the MTS 858 testing machine and the DIC (Digital Image Correlation) technique. In the quasi-static uniaxial compression tests, cylindrical specimens with the dimension ratio of 1.5: 1 (height: diameter) were used. In the axial tensile tests, flat samples cut from lamellas with a thickness of 1 mm were used. The actual stresses and actual strains were determined, assuming the incompressibility of the material. The tests were carried out on at least three samples for each type of epoxy graphene composites. Young's modulus was determined for the linear part of the stress-strain relationship for strains ranging from 0.1 to 0.3%. The resin's deterioration process results from developing a multiscale micro-shear bands system leading to inelastic strains terminated by cracking in samples with deformation of 4% resulting in a sharp drop in stress. Based on these observations, a model describing the inelastic behavior of nanocomposite was proposed, modifying the viscoplastic flow equation by introducing the shear banding contribution function.

ID 225

Critical thickness evolutution during the subsequent epitaxial layers growth

Paweł Dłużewski1

1 Institute of Fundamental Technological Research, Poland


The effect of bending of threading dislocations as well as the effect of the nucleation of dislocation half-loops at the surface of growing layer are discussed. A brief overview of several papers [1,2,3,4] which in the speaker opinion had a significant impact on the mathematical prediction of critical thickness of thin layers is presented.

The analysis concerns the critical thickness of (i) the first layer deposited directly on bulk crystal as well as the critical thicknesses of (ii) a layer grown on the previously deposited layers. The critical thicknesses of subsequently deposited layers can differ significantly from each other. Moreover, the capping of open layer changes its critical thickness too. In result, the misfit dislocations already formed at the bottom of uncapped layer can stand again up to the threading position during the capping. The consequences of such a mode of crystal growth on the resultant quality of thin layers are discussed.

Another question discussed is the prediction of various critical thicknesses below which the given layer must be grown to save its good quality. In some specific cases, the layer quality can be damaged by: (i) phase transition, (ii) fracture and/or (iii) misfit dislocations formation. Each of phenomena mentioned results its own critical layer thickness, and in order to obtain a good quality superlattice none of critical thicknesses should be overcome during the growth.

[1] J. Matthews and A. Blakeslee, J. Cryst. Growth 27, 118-125 (1974).
[2] L. B. Freund, J. Appl. Mech. 54, 553-557 (1987).
[3] W. D. Nix, Metall. Trans. A 20, 2217-2245 (1989).
[4] S. M. Hu, J. Appl.Phys. 69, 7901-7903 (1991).
[5] A. Braun, K. M. Briggs, and P. Böni, J. Cryst. Growth 241, 231-234 (2002).
[6] P. Dłużewski, J. Z. Domagala, S. Kret, D. Jarosz, M. Kryśko, and H. Teisseyre, J. Chem. Phys. 154, 154701 (2021).

ID 268

Design of nanostructures based on molybdenum

Tadeusz Burczyński1, Wacław Kuś2, Marcin Maździarz1, Adam Mrozek3

1 Department of Information and Computational Science, Institute of Fundamental Technological Research, Polish Academy of Sciences, Poland
2 Silesian University of Technology, Poland
3 AGH University of Sciences and Technology, Poland


2D materials play important role in modern material science. Apart from graphene [2] based on carbon there is possible to create new 2D materials based on molybdenum. One of the most prominent 2D material is the Molybdenum Disulfide (MoS2), which reveals polymorphism at the nanolevel. The 2H phase has semiconducting properties and approx. Young's modulus equals to 130 N/m, while the 1T polymorph reveals metallic or ferroelectric properties and two times lower stiffness [3]. Both phases of MoS2 can exist simultaneously [4]. This paper presents an optimization approach enabling to obtain MoS2 heterostructures with desired mechanical properties. The proposed memetic approach combines the global optimization, based on the bio-inspired algorithms (e.g. evolutionary algorithm) with the local conjugated-gradient minimization of the potential energy of the nanostructure [2]. The behavior and energy of the atoms is determined by the REAX-FF potential [1,3].
Memetic optimization of MoS2 with presence of defects in the form of missing S atoms or the substitution of Mo atoms in place of S is also considered. The MoS2 structure is modelled with the use of LAMMPS software and the Stillinger-Weber interatomic potential is used

[1] M. Maździarz M., Transferability of Molecular Potentials for 2D Molybdenum Disulphide. Materials 2021, 14, 519.
[2] A. Mrozek, W. Kuś, T. Burczyński, Nano level optimization of graphene allotropes by means of a hybrid parallel evolutionary algorithm, Computational Materials Science, 106, (2015) 161-169.
[3] A. Mrozek. Basic mechanical properties of 2H and 1T single-layer molybdenym disulphide polymorphs. A short comparision of various atomic potentials. Int. J. Mult. Comp. Eng. 17(3), (2019) 339-359.
[4] X. Gan, L. Y. S. Lee, K. Wong, T. W. Lo, K. H. Ho, D. Y. Lei, H. Zhao. 2H/1T Phase Transition of Multilayer MoS2 by Electrochemical Incorporation of S Vacancies. ACS Appl. Energy Matter. Solids, 1,9 (2018) 4754-4765.

This work was supported by the National Science Centre (NCN - Poland) Research Project: UMO-2016/21/B/ST8/02450.

ID 282

Development of constitutive relations of viscoplasticity accounting for shear banding

Ryszard Pęcherski1, Zdzisław Nowak1

1 Institute of Fundamental Technological Research, Poland


Two types of shear banding mechanisms control viscoplastic flow in solids.
The instantaneous multiscale shear banding system formed by micro-shear bands of the thickness of the order of 0.1 micrometer, the clusters of micro-shear bands producing the discontinuity of the microscopic velocity field vm and the macroscopic zone of shear strain localisation spreading through the representative volume element (RVE) of a polycrystalline metallic solid. A new concept of the RVE with strong singularity was introduced, and the instantaneous shear banding contribution function was defined [1].
The cumulative organisation of micro-shear bands is based on the accumulation of the particular contribution of micro-shear bands forming clusters in specific volumes contained in RVE. The micro-shear bands gradually contribute to the development and growth of micro-shear bands clusters. Finally, the clusters accumulate in the macroscopic localisation zone spreading across the macroscopic volume of considered material. Such deformation mechanism is observed in amorphous solids such as glassy metals or polymers, particularly epoxy resins. Micro-shear bands are growing from the local shear transformation zones (STZ). Finally, the phenomenological viscoplasticity model introduces the cumulative shear banding contribution function [1].

Both types of the mentioned shear banding mechanism appear with a variable contribution in the course of deformation processes. This situation may occur in polycrystalline metallic solids, subjected to the deformation characterising by a distinct change of deformation or loading paths. Also, materials that reveal the hybrid structure of amorphous, ultra-fine grained and nanostructural phases are prone to the mixed shear banding responsible for inelastic deformation. Finally, the description of the inelastic behaviour of epoxy resin composite doped with carbon-based nanoparticles was specified, modifying the viscoplastic flow law by determining the shear banding contribution function [2].

[1] R.B. Pęcherski (2022). Viscoplastic Flow In Solids Produced by Shear Banding, John Wiley & Sons Ltd. - in print.
[2] S. Wilczewski, Z. Nowak, R.B. Pęcherski, M. Giersig (2022). A new concept of epoxy resin composite doped with carbon-based nanoparticles: manufacturing, experiment and modeling, Abstract of CMM-SolMech 2022 Conference, Świnoujście.

ID 306

Specific properties of nanomaterials and their potential in technical applications

Michał Giersig1

1 Institute of Fundamental Technological Research, Poland


Nanomaterials can generally be divided into single nanoparticles and two- and three-dimensional structures based on them. In my talk, I will address nanomaterials' structural, electronic, and mechanical properties that make them superior to traditional materials. The current state of research and the range of applications of nano-materials, their possible applications based on nanoparticle selection, manufacturing processes, particle size and composition, and the influence on their mechanical properties are presented and discussed using examples. This underlines the growing future importance of nanomaterials in the development and application of materials science.