Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study

Graphitic carbon nitride nanosheets are among 2D attractive materials due to presenting unusual physicochemical properties.Nevertheless, no adequate information exists about their mechanical and thermal properties. Therefore, we used classical molecular dynamics simulations to explore the thermal conductivity and mechanical response of two main structures of single-layer triazine-basedg-C3N4 films.By performing uniaxial tensile modeling, we found remarkable elastic modulus of 320 and 210 GPa, and tensile strength of 47 GPa and 30 GPa for two different structures of g-C3N4sheets. Using equilibrium molecular dynamics simulations, the thermal conductivity of free-standing g-C3N4 structures were also predicted to be around 7.6 W/mK and 3.5 W/mK. Our study suggests the g-C3N4films as exciting candidate for reinforcement of polymeric materials mechanical properties

A multiscale constitutive model for intergranular stress corrosion cracking in type 304 austenitic stainless steel

Intergranular stress corrosion cracking (IGSCC) is a fracture mechanism in sensitised austenitic stainless steels exposed to critical environments where the intergranular cracks extends along the network of connected susceptible grain boundaries. A constitutive model is presented to estimate the maximum intergranular crack growth by taking into consideration the materials mechanical properties and microstructure characters distribution. This constitutive model is constructed based on the assumption that each grain is a two phase material comprising of grain interior and grain boundary zone. The inherent micro-mechanisms active in the grain interior during IGSCC is based on crystal plasticity theory, while the grain boundary zone has been modelled by proposing a phenomenological constitutive model motivated from cohesive zone modelling approach. Overall, response of the representative volume is calculated by volume averaging of individual grain behaviour. Model is assessed by performing rigorous parametric studies, followed by validation and verification of the proposed constitutive model using representative volume element based FE simulations reported in the literature. In the last section, model application is demonstrated using intergranular stress corrosion cracking experiments which shows a good agreement

A multiscale constitutive model for intergranular stress corrosion cracking in type 304 austenitic stainless steel

Intergranular stress corrosion cracking (IGSCC) is a fracture mechanism in sensitised austenitic stainless steels exposed to critical environments where the intergranular cracks extends along the network of connected susceptible grain boundaries. A constitutive model is presented to estimate the maximum intergranular crack growth by taking into consideration the materials mechanical properties and microstructure characters distribution. This constitutive model is constructed based on the assumption that each grain is a two phase material comprising of grain interior and grain boundary zone. The inherent micro-mechanisms active in the grain interior during IGSCC is based on crystal plasticity theory, while the grain boundary zone has been modelled by proposing a phenomenological constitutive model motivated from cohesive zone modelling approach. Overall, response of the representative volume is calculated by volume averaging of individual grain behaviour. Model is assessed by performing rigorous parametric studies, followed by validation and verification of the proposed constitutive model using representative volume element based FE simulations reported in the literature. In the last section, model application is demonstrated using intergranular stress corrosion cracking experiments which shows a good agreement

A Review on Mechanics and Mechanical Properties of 2D Materials - Graphene and Beyond

Since the first successful synthesis of graphene just over a decade ago, a variety of two-dimensional (2D) materials (e.g., transition metal-dichalcogenides, hexagonal boron-nitride, etc.) have been discovered. Among the many unique and attractive properties of 2D materials, mechanical properties play important roles in manufacturing, integration and performance for their potential applications. Mechanics is indispensable in the study of mechanical properties, both experimentally and theoretically. The coupling between the mechanical and other physical properties (thermal, electronic, optical) is also of great interest in exploring novel applications, where mechanics has to be combined with condensed matter physics to establish a scalable theoretical framework. Moreover, mechanical interactions between 2D materials and various substrate materials are essential for integrated device applications of 2D materials, for which the mechanics of interfaces (adhesion and friction) has to be developed for the 2D materials. Here we review recent theoretical and experimental works related to mechanics and mechanical properties of 2D materials. While graphene is the most studied 2D material to date, we expect continual growth of interest in the mechanics of other 2D materials beyond graphene

Interfacial adhesion of fiberglass reinforced thermoplastic composites

The use of reinforced plastics is vast. A proper understanding of these materials and their properties is Important. The interface of a reinforced plastic influences many of the materials mechanical properties. This study of fiber reinforced composites was conducted to better understand the interfacial interactions between XENOY and E-Glass fibers. The research consisted of studying the effects of processing temperature, long term hydrolytic attack, and coupling agents, on the interface

Design and predicting performance of carbon nanotube reinforced cementitious materials : mechanical properties and dispersion characteristics.

Recently, Carbon Nanotubes (CNTs) are drawing considerable attention of researchers for reinforcing cementitious materials due to their excellent mechanical properties and high aspect ratio (length-to-diameter ratio). However, CNTs might not disperse well within the cement matrix, resulting in little improvement or even degradation of concrete properties. The uncertainty in producing the consistent results in different studies might be attributed to multiple interactions between the experimental variables affecting the nanotube dispersion and the final properties of CNT-cement nanocomposites. Therefore, this research mainly focused on proposing equations that can reliably capture these interactions in order to correlate CNT dispersion with the mechanical properties. The main experimental variables studied included CNT concentration, aspect ratio, ultrasonication energy, ultrasonication amplitude, surfactant-to-CNTs ratio, water-to-cement ratio, sand-to-cement ratio, and hydration age of specimen. The study reported in this research was conducted in two parts: experimental program and modeling. In the experimental part of this research, a total of 63 different mix proportions were used to evaluate the flowability, mechanical properties, and durability characteristics of cement pastes and mortars containing CNTs. Using experimental test results reported in this study and the literature, three critical relations were proposed to consider the CNT dispersion, cement matrix composition, and hydration age of cement. The proposed critical relations were then added to available theoretical models in the literature. The flexural strength and elastic modulus of CNT-cement nanocomposites were predicted through a state-of-the-art probabilistic model using a Bayesian methodology. Finally, the developed probabilistic models were used to identify the optimum ranges of the experimental variables to maximize the mechanical properties. This was done through computing the conditional probability of not meeting the specified design requirement. The experimental results indicated that addition of CNTs could significantly improve different properties of cementitious materials, if the optimum range of each variable was used. Also, to achieve the desired mechanical properties, various combinations of the experimental variables might be used. The proposed prediction models were shown to capture the interactions between the experimental variables for predicting the mechanical properties within ±15% and ±18% of the experimental test results for flexural strength and elastic modulus, respectively. Based on the findings of this research, contour plots were developed to provide practical guidelines for future engineers to design CNT-cement nanocomposites

Non-contact, single-sided access ultrasonic guided waves for the assessment of materials mechanical properties

Abstract: Research about material characterization without contact has been carried out by many authors using immersion or laser-based ultrasonic techniques. Immersion techniques however imply that the material is not water sensitive and that the sample fits within the immersion tank. Therefore, it is important to develop a characterization process that is suitable for all types of materials, and ideally not requiring access to both sides of the tested specimen, as this is often not possible in industrial context.Résumé de la communication présentée lors du congrès international tenu conjointement par Canadian Society for Mechanical Engineering (CSME) et Computational Fluid Dynamics Society of Canada (CFD Canada), à l’Université de Sherbrooke (Québec), du 28 au 31 mai 2023

Method of material quality estimation with usage of multifractal formalism

Feasibility of application of multifractal theory for evaluation of materials mechanical properties, cast iron in particular, has been considered. The proposed method enables evaluation of mechanical properties of materials based on determination of their sensitivity to dimensions of structure elements from the multifractal Renyi spectrum. Sensitivity of cast iron ultimate strength to informational dimension of carbides, ultimate bending strength to fractal dimension of carbides, impact strength to correlation dimension of carbides and hardness to fractal dimension of graphite have been determined. Fractal prediction models of quality characteristics of cast iron based on the analysis of the following its structure elements (carbides and graphite) have been received

Mechanical properties at nano-level

Nowadays the recent growing interest for nanotechnology leads us to want to understand the materials at nano-scale. This thesis aims to deepen into the materials mechanical properties from a molecular point of view. Molecular Dynamics (MD) is the simulation tecnique that is going to be used to understand molecules behavior. The software that uses this kind of simulation is called Lammps and during this thesis we will see how to perform a simulation to extract the elastic constants and other mechanical properties. In order to get a real and useful simulation, a copper nanowire is going to be performed with this program, from which its Young’s Modulus is going to be find and used to describe the mechanical properties.Outgoin

Mechanical properties at nano-level

Nowadays the recent growing interest for nanotechnology leads us to want to understand the materials at nano-scale. This thesis aims to deepen into the materials mechanical properties from a molecular point of view. Molecular Dynamics (MD) is the simulation tecnique that is going to be used to understand molecules behavior. The software that uses this kind of simulation is called Lammps and during this thesis we will see how to perform a simulation to extract the elastic constants and other mechanical properties. In order to get a real and useful simulation, a copper nanowire is going to be performed with this program, from which its Young’s Modulus is going to be find and used to describe the mechanical properties.Outgoin