Mechanical properties and thermal conductivity of newly introduced graphene-like borophanes: a reactive molecular dynamics study

2021 ◽  
Author(s):  
Jacob F. N. Dethan
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Thermal Properties ◽  
Mechanical And Thermal Properties ◽  
Reactive Molecular Dynamics

Mechanical and thermal properties of newly introduced graphene-like borophanes.

scholarly journals Effect of Defects on the Mechanical and Thermal Properties of Graphene

Nanomaterials ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 347 ◽  
Author(s):  
Maoyuan Li ◽  
Tianzhengxiong Deng ◽  
Bing Zheng ◽  
Yun Zhang ◽  
Yonggui Liao ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Thermal Properties ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Fracture Strength ◽  
Fracture Strain ◽  
Young's Modulus ◽  
Pristine Graphene ◽  
Mechanical And Thermal Properties

In this study, the mechanical and thermal properties of graphene were systematically investigated using molecular dynamic simulations. The effects of temperature, strain rate and defect on the mechanical properties, including Young’s modulus, fracture strength and fracture strain, were studied. The results indicate that the Young’s modulus, fracture strength and fracture strain of graphene decreased with the increase of temperature, while the fracture strength of graphene along the zigzag direction was more sensitive to the strain rate than that along armchair direction by calculating the strain rate sensitive index. The mechanical properties were significantly reduced with the existence of defect, which was due to more cracks and local stress concentration points. Besides, the thermal conductivity of graphene followed a power law of λ~L0.28, and decreased monotonously with the increase of defect concentration. Compared with the pristine graphene, the thermal conductivity of defective graphene showed a low temperature-dependent behavior since the phonon scattering caused by defect dominated the thermal properties. In addition, the corresponding underlying mechanisms were analyzed by the stress distribution, fracture structure during the deformation and phonon vibration power spectrum.

Atomistic modeling of BN nanofillers for mechanical and thermal properties: a review

Nanoscale ◽  
2016 ◽  
Vol 8 (1) ◽  
pp. 22-49 ◽  
Author(s):  
Rajesh Kumar ◽  
Avinash Parashar
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Thermal Properties ◽  
Boron Nitride ◽  
Wide Band ◽  
Boron Nitride Nanotubes ◽  
Biomedical Science ◽  
Mechanical And Thermal Properties ◽  
Atomistic Modeling ◽  
Wide Band Gap

Due to their exceptional mechanical properties, thermal conductivity and a wide band gap (5–6 eV), boron nitride nanotubes and nanosheets have promising applications in the field of engineering and biomedical science.

scholarly journals Carbon nanostructure-reinforced SiCw/Si3N4 composite with enhanced thermal conductivity and mechanical properties

RSC Advances ◽  
2020 ◽  
Vol 10 (25) ◽  
pp. 15023-15029 ◽  
Author(s):  
Adil Saleem ◽  
Yujun Zhang ◽  
Hongyu Gong ◽  
Muhammad K. Majeed ◽  
M. Zeeshan Ashfaq ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Thermal Properties ◽  
Carbon Nanostructures ◽  
Mechanical And Thermal Properties ◽  
Carbon Nanostructure ◽  
Reinforcement Material ◽  
Enhanced Thermal Conductivity

Carbon nanostructures (CNS) as a kind of reinforcement material can remarkably enhance the mechanical and thermal properties of ceramics.

scholarly journals Mechanical and thermal properties of tungsten carbide – graphite nanoparticles nanocomposites

2016 ◽  
Vol 18 (2) ◽  
pp. 84-88 ◽  
Author(s):  
Kamil Kornaus ◽  
Agnieszka Gubernat ◽  
Dariusz Zientara ◽  
Paweł Rutkowski ◽  
Ludosław Stobierski
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Thermal Properties ◽  
Tungsten Carbide ◽  
Bending Strength ◽  
Polycrystalline Materials ◽  
Mechanical And Thermal Properties ◽  
Thermal And Mechanical Properties ◽  
Pure Tungsten ◽  
Graphite Nanoparticles

Abstract Previous studies concerning pure tungsten carbide polycrystalline materials revealed that nanolayers of graphite located between WC grains improve its thermal properties. What is more, pressure-induced orientation of graphene nano platelets (GNP) in hot pressed silicon nitride-graphene composites results in anisotropy of thermal conductivity. Aim of this study was to investigate if addition of GNP to WC will improve its thermal properties. For this purpose, tungsten carbide with 0.5–6 wt.% of GNP(12)-additive underwent hot pressing. The microstructure observations performed by SEM microscopy. The anisotropy was determined via ultrasonic measurements. The following mechanical properties were evaluated: Vickers hardness, bending strength, fracture toughness KIc. The influence of GNP(12) addition on oxidation resistance and thermal conductivity was examined. It was possible to manufacture hot-pressed WC-graphene composites with oriented GNP(12) particles, however, the addition of graphene decreased both thermal and mechanical properties of the material.

Prediction of mechanical and thermal properties of particle reinforced hydrogel composites using the structural genome approach

2021 ◽  
pp. 2150004
Author(s):  
Lingzhi Han ◽  
Jincheng Lei ◽  
Zishun Liu ◽  
Heow Pueh Lee
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Thermal Properties ◽  
Volume Fraction ◽  
Mechanical And Thermal Properties ◽  
Equivalent Thermal Conductivity ◽  
Volume Fractions ◽  
Sequential Adsorption ◽  
Hydrogel Composites ◽  
Genome Model

In this paper, the structural genome approach is used for multiscale analyses to predict the mechanical and thermal properties of particle reinforced hydrogel composites. First, the structure genome model of particle reinforced hydrogel composites is created by the random sequential adsorption algorithm. Then the mechanical properties and equivalent thermal conductivity of hydrogel composites are numerically studied by the structural genome approach. The effects of particles with different volume fractions and material properties on their mechanical and thermal properties are investigated. From the simulation results, it can be found that within a certain range of volume fraction, the mechanical properties and equivalent thermal conductivity of hydrogel composites are positively correlated with the volume fractions of particles. We also find that with the increase of the mechanical properties and thermal conductivity of particles, the properties of hydrogel can be improved and eventually reach stabilization. The structural genome approach shows excellent efficiency in multiscale structure analysis. It is a convenient method for the simulation of complex soft material composites.

Electro-Mechanical and Thermal Properties of Multiwalled Carbon Nanotube Reinforced Alumina Composites

2008 ◽  
Vol 368-372 ◽  
pp. 701-703 ◽  
Author(s):  
Kaleem Ahmad ◽  
Wei Pan ◽  
Chun Lei Wan
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Thermal Properties ◽  
Carbon Nanotube ◽  
Mechanical And Thermal Properties ◽  
Multiwalled Carbon ◽  
Plasma Sintering ◽  
Spark Plasma ◽  
Alumina Composites

Multi-walled carbon nanotube (MWNT) reinforced alumina composites with different MWNT contents (5 and 10 vol %) were fabricated by spark plasma sintering. The room temperature dc electrical conductivity, thermal conductivity, and mechanical properties were investigated. Results showed that the electrical conductivity has improved around twelve orders of magnitude by addition of 5 vol% of MWNT. The fracture toughness changed from 3.2 to 4.4 MPa m1/2 with 39% improvement over monolithic Al2O3. The thermal conductivity decreased with increase of MWNT contents. The low values of thermal conductivity suggest that interfacial thermal barrier play an important role in determining these properties. MWNT can be used to improve concurrently electrical, mechanical properties of Al2O3 but with lower values of thermal properties.

CVD Growth and Heat Transfer of Carbon Nanotubes

2010 ◽  
Author(s):  
Shigeo Maruyama
Keyword(s):  
Thermal Conductivity ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Thermal Properties ◽  
Energy Difference ◽  
Dynamics Simulation ◽  
Growth Monitoring ◽  
Mechanical And Thermal Properties ◽  
Cvd Growth ◽  
Vertically Aligned

Carbon nanotubes and graphene are extra-ordinal material with remarkable electrical, optical, mechanical and thermal properties. Films of vertically aligned (VA-) SWNTs and horizontally aligned (HA-) SWNTs are synthesized on quartz and crystal quartz substrates, respectively. These aligned film should inherit the remarkable properties of SWNTs. The recent progress in growth control and characterization techniques will be discussed. The CVD growth mechanism of VA-SWNTs is discussed based on the in-situ growth monitoring by laser absorption during CVD. For the precisely patterned growth of SWNTs, we recently propose a surface-energy-difference driven selective deposition of catalyst for localized growth of SWNTs. For a self assembled monolayer (SAM) patterned Si surface, catalyst particles deposit and SWNTs grow only on the hydrophilic regions. The proposed all-liquid-based approach possesses significant advantages in scalability and resolution over state-to-the-art techniques, which we believe can greatly advance the fabrication of nano-devices using high-quality as-grown SWNTs. The optical characterization of the VA-SWNT film using polarized absorption, polarized Raman, and photoluminescence spectroscopy will be discussed. The extremely high and peculiar thermal conductivity of single-walled carbon nanotubes has been explored by non-equilibrium molecular dynamics simulation approaches. The thermal properties of the vertically aligned film and composite materials are studied by several experimental techniques and Monte Carlo simulations based on molecular dynamics inputs of thermal conductivity and thermal boundary resistance. Current understanding of thermal properties of the film is discussed.

scholarly journals Development of PE/PCL Bilayer Films Modified with Casein and Aluminum Oxide

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3090
Author(s):  
Anita Ptiček Siročić ◽  
Ana Rešček ◽  
Zvonimir Katančić ◽  
Zlata Hrnjak-Murgić
Keyword(s):  
Mechanical Properties ◽  
Thermal Properties ◽  
Water Vapor ◽  
Aluminum Oxide ◽  
Water Vapor Permeability ◽  
Vapor Permeability ◽  
Mechanical And Thermal Properties ◽  
Oxide Compound ◽  
Bilayer Films ◽  
Oxide Particles

The studied samples were prepared from polyethylene (PE) polymer which was coated with modified polycaprolactone (PCL) film in order to obtain bilayer films. Thin PCL film was modified with casein/aluminum oxide compound to enhance vapor permeability as well as mechanical and thermal properties of PE/PCL films. Casein/aluminum oxide modifiers were used in order to achieve some functional properties of polymer film that can be used in various applications, e.g., reduction of water vapor permeability (WVTR) and good mechanical and thermal properties. Significant improvement was observed in mechanical properties, especially in tensile strength as well as in water vapor values. Samples prepared with aluminum oxide particles indicated significantly lower values up to 60%, and samples that were prepared with casein and 5% Al2O3 showed the lowest WVTR value.

scholarly journals A reactive molecular dynamics study on the mechanical properties of a recently synthesized amorphous carbon monolayer converted into a nanotube/nanoscroll

2021 ◽  
Author(s):  
Marcelo Lopes Pereira Junior ◽  
Wiliam Ferreira da Cunha ◽  
Douglas Soares Galvão ◽  
Luiz Antonio Ribeiro Junior
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Chemical Vapor Deposition ◽  
Amorphous Carbon ◽  
Vapor Deposition ◽  
Chemical Vapor ◽  
Free Standing ◽  
Reactive Molecular Dynamics

Recently, laser-assisted chemical vapor deposition has been used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC).

Mechanical and Thermal Properties of Magnesia Binder Based on Natural and Technogenic Raw Materials

2021 ◽  
Vol 320 ◽  
pp. 181-185
Author(s):  
Elvija Namsone ◽  
Genadijs Sahmenko ◽  
Irina Shvetsova ◽  
Aleksandrs Korjakins
Keyword(s):  
Thermal Conductivity ◽  
Thermal Properties ◽  
Raw Materials ◽  
High Strength ◽  
Strength Properties ◽  
Waste Materials ◽  
Mechanical And Thermal Properties ◽  
Experimental Part ◽  
Technogenic Raw Materials ◽  
Caustic Magnesia

Because of low calcination temperature, magnesia binders are attributed as low-CO2 emission materials that can benefit the environment by reducing the energy consumption of building sector. Portland cement in different areas of construction can be replaced by magnesia binder which do not require autoclave treatment for hardening, it has low thermal conductivity and high strength properties. Magnesium-based materials are characterized by decorativeness and ecological compatibility.The experimental part of this research is based on the preparation of magnesia binders by adding raw materials and calcinated products and caustic magnesia. The aim of this study was to obtain low-CO2 emission and eco-friendly material using local dolomite waste materials, comparing physical, mechanical, thermal properties of magnesium binders.

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