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 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.

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.

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.

Theoretical and experimental investigation of point defects in cubic boron nitride

MRS Advances ◽  
2017 ◽  
Vol 2 (29) ◽  
pp. 1545-1550 ◽  
Author(s):  
Nicholas L. McDougall ◽  
Jim G. Partridge ◽  
Desmond W. M. Lau ◽  
Philipp Reineck ◽  
Brant C. Gibson ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Cubic Boron Nitride ◽  
Optical Emission ◽  
Wide Band ◽  
Wide Band Gap ◽  
Edge Structure ◽  
X Ray ◽  
Substitutional Defects ◽  
X Ray Absorption ◽  
Annealing Experiments

ABSTRACTCubic boron nitride (cBN) is a synthetic wide band gap material that has attracted attention due to its high thermal conductivity, optical transparency and optical emission. In this work, defects in cBN have been investigated using experimental and theoretical X-ray absorption near edge structure (XANES). Vacancy and O substitutional defects were considered, with O substituted at the N site (ON) to be the most energetically favorable. All defects produce unique signatures in either the B or N K-edges and can thus be identified using XANES. The calculations coupled with electron-irradiation / annealing experiments strongly suggest that ON is the dominant defect in irradiated cBN and remains after annealing. This defect is a likely source of optical emission in cBN.

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