PhD degree in Mechanical Engineering by the University of Coimbra, in 2006. The areas of scientific activity are mechanical properties of bulk materials and thin films: modelling and numerical simulation, inverse analysis and experimental aspects. Mechanical properties of nanomaterials: modelling and experimental aspects. Is author of around 100 publications in books, papers in international and national journals and conferences. Collaborates regularly with the industry in the field of the mechanical design.
EDUCATION
PhD Mechanical Engineering
RESEARCH, TEACHING, or OTHER INTERESTS
Mechanical Engineering
43
Scopus Publications
1675
Scholar Citations
16
Scholar h-index
19
Scholar i10-index
Scopus Publications
Mechanical Properties of Two-Dimensional Metal Nitrides: Numerical Simulation Study Nataliya A. Sakharova, André F. G. Pereira, Jorge M. Antunes Nanomaterials, 2024 It is expected that two-dimensional (2D) metal nitrides (MNs) consisting of the 13th group elements of the periodic table and nitrogen, namely aluminium nitride (AlN), gallium nitride (GaN), indium nitride (InN) and thallium nitride (TlN), have enhanced physical and mechanical properties due to the honeycomb, graphene-like atomic arrangement characteristic of these compounds. The basis for the correct design and improved performance of nanodevices and complex structures based on 2D MNs from the 13th group is an understanding of the mechanical response of their components. In this context, a comparative study to determine the elastic properties of metal nitride nanosheets was carried out making use of the nanoscale continuum modelling (or molecular structural mechanics) method. The differences in the elastic properties (surface shear and Young’s moduli and Poisson’s ratio) found for the 2D 13th group MNs are attributed to the bond length of the respective hexagonal lattice of their diatomic nanostructure. The outcomes obtained contribute to a benchmark in the evaluation of the mechanical properties of AlN, GaN, InN and TlN monolayers using analytical and numerical approaches.
On the Determination of Elastic Properties of Single-Walled Nitride Nanotubes Using Numerical Simulation Nataliya A. Sakharova, André F. G. Pereira, Jorge M. Antunes, Bruno M. Chaparro, Tomás G. Parreira, et al. Materials, 2024 In recent years, tubular nanostructures have been related to immense advances in various fields of science and technology. Considerable research efforts have been centred on the theoretical prediction and manufacturing of non-carbon nanotubes (NTs), which meet modern requirements for the development of novel devices and systems. In this context, diatomic inorganic nanotubes formed by atoms of elements from the 13th group of the periodic table (B, Al, Ga, In, Tl) and nitrogen (N) have received much research attention. In this study, the elastic properties of single-walled boron nitride, aluminium nitride, gallium nitride, indium nitride, and thallium nitride nanotubes were assessed numerically using the nanoscale continuum modelling approach (also called molecular structural mechanics). The elastic properties (rigidities, surface Young’s and shear moduli, and Poisson’s ratio) of nitride nanotubes are discussed with respect to the bond length of the corresponding diatomic hexagonal lattice. The results obtained contribute to a better understanding of the mechanical response of nitride compound-based nanotubes, covering a broad range, from the well-studied boron nitride NTs to the hypothetical thallium nitride NTs.
Numerical Evaluation of the Elastic Moduli of AlN and GaN Nanosheets Nataliya A. Sakharova, Jorge M. Antunes, André F. G. Pereira, Bruno M. Chaparro, Tomás G. Parreira, et al. Materials, 2024 Two-dimensional (2D) nanostructures of aluminum nitride (AlN) and gallium nitride (GaN), called nanosheets, have a graphene-like atomic arrangement and represent novel materials with important upcoming applications in the fields of flexible electronics, optoelectronics, and strain engineering, among others. Knowledge of their mechanical behavior is key to the correct design and enhanced functioning of advanced 2D devices and systems based on aluminum nitride and gallium nitride nanosheets. With this background, the surface Young’s and shear moduli of AlN and GaN nanosheets over a wide range of aspect ratios were assessed using the nanoscale continuum model (NCM), also known as the molecular structural mechanics (MSM) approach. The NCM/MSM approach uses elastic beam elements to represent interatomic bonds and allows the elastic moduli of nanosheets to be evaluated in a simple way. The surface Young’s and shear moduli calculated in the current study contribute to building a reference for the evaluation of the elastic moduli of AlN and GaN nanosheets using the theoretical method. The results show that an analytical methodology can be used to assess the Young’s and shear moduli of aluminum nitride and gallium nitride nanosheets without the need for numerical simulation. An exploratory study was performed to adjust the input parameters of the numerical simulation, which led to good agreement with the results of elastic moduli available in the literature. The limitations of this method are also discussed.
A Study of the Mechanical Behaviour of Boron Nitride Nanosheets Using Numerical Simulation Nataliya A. Sakharova, André F. G. Pereira, Jorge M. Antunes Nanomaterials, 2023 Hexagonal boron nitride (h-BN) nanosheets are attractive materials for various applications that require efficient heat transfer, surface adsorption capability, biocompatibility, and flexibility, such as optoelectronics and power electronics devices, nanoelectromechanical systems, and aerospace industry. Knowledge of the mechanical behavior of boron nitride nanosheets is necessary to achieve accurate design and optimal performance of h-BN-based nanodevices and nanosystems. In this context, the Young’s and shear moduli and Poisson’s ratio of square and rectangular boron nitride nanosheets were evaluated using the nanoscale continuum modeling approach, also known as molecular structural mechanics. The latter allows robust and rapid assessment of the elastic constants of nanostructures with graphene-like lattices. To date, there is a lack of systematic research regarding the influence of input parameters for numerical simulation, loading conditions, size, and aspect ratio on the elastic properties of the h-BN nanosheets. The current study contributes to filling this gap. The results allow, on the one hand, to point out the input parameters that lead to better agreement with those available in the literature. On the other hand, the Young’s and shear moduli, and Poisson’s ratio calculated in the present work contribute to a benchmark for the evaluation of elastic constants of h-BN nanosheets using theoretical methods.
Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures José V. Fernandes, André F. G. Pereira, Jorge M. Antunes, Bruno M. Chaparro, Nataliya A. Sakharova Materials, 2023 One-dimensional (nanotubes) and two-dimensional (nanosheets) germanium carbide (GeC) and tin carbide (SnC) structures have been predicted and studied only theoretically. Understanding their mechanical behaviour is crucial, considering forthcoming prospects, especially in batteries and fuel cells. Within this framework, the present study aims at the numerical evaluation of the elastic properties, surface Young’s and shear moduli and Poisson’s ratio, of GeC and SnC nanosheets and nanotubes, using a nanoscale continuum modelling approach. A robust methodology to assess the elastic constants of the GeC and SnC nanotubes without of the need for numerical simulation is proposed. The surface Young’s and shear moduli of the GeC and SnC nanotubes and nanosheets are compared with those of their three-dimensional counterparts, to take full advantage of 1D and 2D germanium carbide and tin carbide in novel devices. The obtained outcomes establish a solid basis for future explorations of the mechanical behaviour of 1D and 2D GeC and SnC nanostructures, where the scarcity of studies is evident.
On the Determination of Elastic Properties of Indium Nitride Nanosheets and Nanotubes by Numerical Simulation Nataliya A. Sakharova, André F. G. Pereira, Jorge M. Antunes, Bruno M. Chaparro, José V. Fernandes Metals, 2023 Among the semiconductors formed by a 13th group element and nitrogen, indium nitride (InN) has promising electronic and optical properties, which make it an appropriate material for light-emitting devices and high-speed electronic applications. One-dimensional and two-dimensional InN structures, such as nanotubes and nanosheets, respectively, are expected to present novel advanced characteristics different from those of bulk InN, bringing new prospects in the designs of electronic and optical nanodevices. Despite the difficulties in the synthesis and mass production of the indium nitride nanotubes and nanosheets, the understanding of their properties, including mechanical ones, deserves more research attention, taking into account future perspectives. In this context, the present work is an exploratory study on the numerical evaluation of elastic properties of InN nanosheets and nanotubes, using the nanoscale continuum modelling (also called molecular structural mechanics) approach. The results obtained constitute a solid base for further investigation on the mechanical behaviour of the InN nanostructures, where studies are at an early stage or almost absent.
Elastic Moduli of Non-Chiral Singe-Walled Silicon Carbide Nanotubes: Numerical Simulation Study Nataliya A. Sakharova, André F. G. Pereira, Jorge M. Antunes Materials, 2022 Silicon carbide nanotubes (SiCNTs) have generated significant research interest due to their potential use in the fabrication of electronic and optoelectronic nanodevices and biosensors. The exceptional chemical, electrical and thermal properties of SiCNTs are beneficial for their application in high-temperature and harsh-environments. In view of the limited thermal stability of carbon nanotubes, they can be replaced by silicon carbide nanotubes in reinforced composites, developed for operations at high temperatures. However, fundamentally theoretical studies of the mechanical properties of the silicon carbide nanotubes are at an early stage and their results are still insufficient for designing and exploiting appropriate nanodevices based on SiCNTs and reinforced composites. In this context, the present study deals with the determination of Young’s and shear moduli of non-chiral single-walled silicon carbide nanotubes, using a three-dimensional finite element model.
Elastic Properties of Single-Walled Phosphide Nanotubes: Numerical Simulation Study Nataliya Sakharova, Jorge Antunes, André Pereira, Bruno Chaparro, José Fernandes Nanomaterials, 2022 After a large-scale investigation into carbon nanotubes, significant research efforts have been devoted to discovering and synthesizing other nanotubes formed by chemical elements other than carbon. Among them, non-carbon nanotubes based on compounds of the elements of the 13th group of the periodic table and phosphorus. These inorganic nanotubes have proved to be more suitable candidates than carbon nanotubes for the construction of novel electronic and optical-electronic nano-devices. For this reason, until recently, mainly the structural and electrical properties of phosphide nanotubes were investigated, and studies to understand their mechanical behavior are infrequent. In the present work, the elastic properties of single-walled boron phosphide, aluminum phosphide, gallium phosphide and indium phosphide nanotubes were numerically evaluated using a nanoscale continuum modelling (also called molecular structural mechanics) approach. The force field constants required to assess the input parameters for numerical simulations were calculated for boron phosphide, aluminum phosphide, gallium phosphide and indium phosphide nanostructures using two different methods. The influence of input parameters on the elastic properties evaluated by numerical simulation was studied. A robust methodology to calculate the surface elastic moduli of phosphide nanotubes is proposed.
Overview on the Evaluation of the Elastic Properties of Non-Carbon Nanotubes by Theoretical Approaches Jorge M. Antunes, André F. G. Pereira, Nataliya A. Sakharova Materials, 2022 Low-dimensional structures, such as nanotubes, have been the focus of research interest for approximately three decades due to their potential for use in numerous applications in engineering and technology. In addition to extensive investigation of carbon nanotubes, those composed of elements other than carbon, the so-called non-carbon nanotubes, have also begun to be studied, since they can be more suitable for electronic and optical nano-devices than their carbon counterparts. As in the case of carbon nanotubes, theoretical (numerical and analytical) approaches have been established predominantly to study non-carbon nanotubes. So far, most of work has dealt with the investigation of the structural and electrical properties of non-carbon nanotubes, paying less attention to the evaluation of their mechanical properties. As the understanding of the mechanical behaviour of the constituents is fundamental to ensure the effective performance of nanotube-based devices, this overview aims to analyse and systematize the literature results on the elastic properties of inorganic non-carbon nanotubes.
On the determination of elastic properties of single-walled boron nitride nanotubes by numerical simulation Nataliya A. Sakharova, Jorge M. Antunes, André F. G. Pereira, Bruno M. Chaparro, José V. Fernandes Materials, 2021 The elastic properties of chiral and non-chiral single-walled boron nitride nanotubes in a wide range of their chiral indices and diameters were studied. With this aim, a three-dimensional finite element model was used to assess their rigidities and, subsequently, elastic moduli and Poisson’s ratio. An extensive study was performed to understand the impact of the input parameters on the results obtained by numerical simulation. For comparison, the elastic properties of single-walled boron nitride nanotubes are shown together with those obtained for single-walled carbon nanotubes.
Elastic properties of carbon nanotubes and their heterojunctions Proceedings of the 14th International Conference on Computational Plasticity Fundamentals and Applications Complas 2017, 2017
Modelling of single-wall carbon nanotubes mechanical behaviour 11th World Congress on Computational Mechanics Wccm 2014 5th European Conference on Computational Mechanics Eccm 2014 and 6th European Conference on Computational Fluid Dynamics Ecfd 2014, 2014
A numerical study of influence of the indenter geometry on depth sensing indentation results Computational Plasticity Fundamentals and Applications Complas Ix, 2007
Mechanical Properties of Two-Dimensional Metal Nitrides: Numerical Simulation Study NA Sakharova, AFG Pereira, JM Antunes Nanomaterials 14 (21), 1736 , 2024 2024 Citations: 1
On the determination of elastic properties of single-walled nitride nanotubes using numerical simulation NA Sakharova, AFG Pereira, JM Antunes, BM Chaparro, TG Parreira, ... Materials 17 (10), 2444 , 2024 2024 Citations: 4
Numerical evaluation of the elastic moduli of AlN and GaN nanosheets NA Sakharova, JM Antunes, AFG Pereira, BM Chaparro, TG Parreira, ... Materials 17 (4), 799 , 2024 2024 Citations: 5
Numerical simulation of the mechanical behaviour of boron nitride nanosheets and nanotubes NA Sakharova, JM Antunes, AFG Pereira, BM Chaparro, JV Fernandes Boron, Boron Compounds and Boron-Based Materials and Structures, 125 , 2024 2024 Citations: 2
A Study of the mechanical behaviour of boron nitride nanosheets using numerical simulation NA Sakharova, AFG Pereira, JM Antunes Nanomaterials 13 (20), 2759 , 2023 2023 Citations: 9
Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures JV Fernandes, AFG Pereira, JM Antunes, BM Chaparro, NA Sakharova Materials 16 (15), 5484 , 2023 2023 Citations: 4
On the determination of elastic properties of indium nitride nanosheets and nanotubes by numerical simulation NA Sakharova, AFG Pereira, JM Antunes, BM Chaparro, JV Fernandes Metals 13 (1), 73 , 2022 2022 Citations: 3
Elastic moduli of non-chiral singe-walled silicon carbide nanotubes: Numerical simulation study NA Sakharova, AFG Pereira, JM Antunes Materials 15 (22), 8153 , 2022 2022 Citations: 6
Elastic properties of single-walled phosphide nanotubes: Numerical Simulation Study NA Sakharova, JM Antunes, AFG Pereira, BM Chaparro, JV Fernandes Nanomaterials 12 (14), 2360 , 2022 2022 Citations: 10
Overview on the evaluation of the elastic properties of non-carbon nanotubes by theoretical approaches JM Antunes, AFG Pereira, NA Sakharova Materials 15 (9), 3325 , 2022 2022 Citations: 11
Elastic Moduli of Non-Chiral Singe-Walled Silicon Carbide Nanotubes: Numerical Simulation Study. Materials 2022, 15, 8153 NA Sakharova, AFG Pereira, JM Antunes s Note: MDPI stays neutral with regard to jurisdictional claims in published … , 2022 2022
Elastic Properties of Single-Walled Phosphide Nanotubes: Numerical Simulation Study. Nanomaterials 2022, 12, 2360 NA Sakharova, JM Antunes, AFG Pereira, BM Chaparro, JV Fernandes s Note: MDPI stays neutral with regard to jurisdictional claims in published … , 2022 2022
On the determination of elastic properties of single-walled boron nitride nanotubes by numerical simulation NA Sakharova, JM Antunes, AFG Pereira, BM Chaparro, JV Fernandes Materials 14 (12), 3183 , 2021 2021 Citations: 21
Mechanical Characterisation of Single-Walled Carbon Nanotube Heterojunctions: Numerical Simulation Study AFG Pereira, JM Antunes, JV Fernandes, N Sakharova Materials 13 (22), 5100 , 2020 2020 Citations: 1
Mechanical characterization of multiwalled carbon nanotubes: numerical simulation study NA Sakharova, AFG Pereira, JM Antunes, JV Fernandes Materials 13 (19), 4283 , 2020 2020 Citations: 27
Numerical simulation of the depth-sensing indentation test with Knoop indenter MI Simões, JM Antunes, JV Fernandes, NA Sakharova Metals 8 (11), 885 , 2018 2018 Citations: 7
Elastic properties of carbon nanotubes and their heterojunctions NA Sakharova, JM Antunes, AFG Pereira, BM Chaparro, JV Fernandes COMPLAS XIV: proceedings of the XIV International Conference on … , 2017 2017 Citations: 3
Numerical Simulation of the Mechanical Behaviour of the Multi-Walled Carbon Nanotubes NA Sakharova, A Pereira, JM Antunes, JV Fernandes Journal of Nano Research 47, 106-119 , 2017 2017 Citations: 5
Developments in the evaluation of elastic properties of carbon nanotubes and their heterojunctions by numerical simulation NA Sakharova, JM Antunes, AFG Pereira, JV Fernandes AIMS Materials Science 4 (3), 706-737 , 2017 2017 Citations: 18
Numerical simulation study of the elastic properties of single-walled carbon nanotubes containing vacancy defects NA Sakharova, AFG Pereira, JM Antunes, JV Fernandes Composites Part B: Engineering 89, 155-168 , 2016 2016 Citations: 37
MOST CITED SCHOLAR PUBLICATIONS
Comparison between Berkovich, Vickers and conical indentation tests: A three-dimensional numerical simulation study NA Sakharova, JV Fernandes, JM Antunes, MC Oliveira International Journal of Solids and Structures 46 (5), 1095-1104 , 2009 2009 Citations: 346
Ultra-microhardness testing procedure with Vickers indenter JM Antunes, A Cavaleiro, LF Menezes, MI Simoes, JV Fernandes Surface and Coatings Technology 149 (1), 27-35 , 2002 2002 Citations: 241
A new approach for reverse analyses in depth-sensing indentation using numerical simulation JM Antunes, JV Fernandes, LF Menezes, BM Chaparro Acta Materialia 55 (1), 69-81 , 2007 2007 Citations: 196
Three-dimensional numerical simulation of Vickers indentation tests JM Antunes, LF Menezes, JV Fernandes International Journal of Solids and Structures 43 (3-4), 784-806 , 2006 2006 Citations: 184
On the determination of the Young’s modulus of thin films using indentation tests JM Antunes, JV Fernandes, NA Sakharova, MC Oliveira, LF Menezes International Journal of Solids and Structures 44 (25-26), 8313-8334 , 2007 2007 Citations: 106
Mechanical characterization of composites prepared from WC powders coated with Ni rich binders CM Fernandes, AMR Senos, MT Vieira, JM Antunes International Journal of Refractory Metals and Hard Materials 26 (5), 491-498 , 2008 2008 Citations: 78
Mechanical characterization of single-walled carbon nanotubes: Numerical simulation study NA Sakharova, AFG Pereira, JM Antunes, CMA Brett, JV Fernandes Composites Part B: Engineering 75, 73-85 , 2015 2015 Citations: 75
Influence of ductile interlayers on mechanical behaviour of hard coatings under depth-sensing indentation: a numerical study on TiAlN NA Sakharova, JV Fernandes, MC Oliveira, JM Antunes Journal of materials science 45 (14), 3812-3823 , 2010 2010 Citations: 65
Influence of Vickers tip imperfection on depth sensing indentation tests JM Antunes, LF Menezes, JV Fernandes International Journal of Solids and Structures 44 (9), 2732-2747 , 2007 2007 Citations: 58
Numerical simulation study of the elastic properties of single-walled carbon nanotubes containing vacancy defects NA Sakharova, AFG Pereira, JM Antunes, JV Fernandes Composites Part B: Engineering 89, 155-168 , 2016 2016 Citations: 37
A Simple Method for Estimation of Residual Stresses by Depth‐Sensing Indentation NA Sakharova, PA Prates, MC Oliveira, JV Fernandes, JM Antunes Strain 48 (1), 75-87 , 2012 2012 Citations: 32
Shear modulus and Poisson's ratio of single‐walled carbon nanotubes: Numerical evaluation AFG Pereira, JV Fernandes, JM Antunes, NA Sakharova physica status solidi (b) 253 (2), 366-376 , 2016 2016 Citations: 31
Mechanical characterization of multiwalled carbon nanotubes: numerical simulation study NA Sakharova, AFG Pereira, JM Antunes, JV Fernandes Materials 13 (19), 4283 , 2020 2020 Citations: 27
On the determination of the film hardness in hard film/substrate composites using depth-sensing indentation NA Sakharova, MC Oliveira, JM Antunes, JV Fernandes Ceramics international 39 (6), 6251-6263 , 2013 2013 Citations: 23
On the determination of elastic properties of single-walled boron nitride nanotubes by numerical simulation NA Sakharova, JM Antunes, AFG Pereira, BM Chaparro, JV Fernandes Materials 14 (12), 3183 , 2021 2021 Citations: 21
Developments in the evaluation of elastic properties of carbon nanotubes and their heterojunctions by numerical simulation NA Sakharova, JM Antunes, AFG Pereira, JV Fernandes AIMS Materials Science 4 (3), 706-737 , 2017 2017 Citations: 18
Overview on the evaluation of the elastic properties of non-carbon nanotubes by theoretical approaches JM Antunes, AFG Pereira, NA Sakharova Materials 15 (9), 3325 , 2022 2022 Citations: 11
Mechanical behaviour of FSW aluminium tailored blanks RM Leal, BM Chaparro, JM Antunes, P Vilaça, DME Rodrigues, ... Materials science forum 587, 961-965 , 2008 2008 Citations: 11
Elastic properties of single-walled phosphide nanotubes: Numerical Simulation Study NA Sakharova, JM Antunes, AFG Pereira, BM Chaparro, JV Fernandes Nanomaterials 12 (14), 2360 , 2022 2022 Citations: 10
A Study of the mechanical behaviour of boron nitride nanosheets using numerical simulation NA Sakharova, AFG Pereira, JM Antunes Nanomaterials 13 (20), 2759 , 2023 2023 Citations: 9
