scholarly journals Molecular Dynamics Simulation of Improving the Physical Properties of Polytetrafluoroethylene Cable Insulation Materials by Boron Nitride Nanoparticle under Moisture-Temperature-Electric Fields Conditions

Polymers ◽  
2019 ◽  
Vol 11 (6) ◽  
pp. 971 ◽  
Author(s):  
Xu Hua ◽  
Li Wang ◽  
Shanshui Yang
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Physical Properties ◽  
Electric Fields ◽  
Breakdown Strength ◽  
Relative Dielectric Constant ◽  
Water Molecules ◽  
Cable Insulation ◽  
Insulation Materials

The physical properties in amorphous regions are important for the insulation aging assessment of polytetrafluoroethylene (PTFE) cable insulation materials. In order to study the effect of boron nitride (BN) nanoparticles on the physical properties of PTFE materials under moisture, temperature, and electric fields conditions at the molecular level, the amorphous region models of PTFE, BN/PTFE, water/PTFE, and water/BN/PTFE were respectively constructed by molecular dynamics (MD) simulation. The mechanical properties including Young’s modulus, Poisson’s ratio, bulk modulus, and shear modulus, along with glass transition temperature, thermal conductivity, relative dielectric constant, and breakdown strength of the four models have been simulated and calculated. The results show that the mechanical properties and the glass transition temperature of PTFE are reduced by the injection of water molecules, whereas the same, along with the thermal conductivity, are improved by incorporating BN nanoparticles. Moreover, thermal conductivity is further improved by the surface grafting of BN nanoparticles. With the increase of temperature, the mechanical properties and the breakdown strength of PTFE decrease gradually, whereas the thermal conductivity increases linearly. The injection of water molecules increases the water content in the PTFE materials, which causes a gradual increase in its relative dielectric constant. This work has shown that this effect is significantly reduced by incorporation of BN nanoparticles. The variation of physical properties for PTFE and its composites under the action of moisture, temperature, and electric fields is of great significance to the study of wet, thermal, and electrical aging tests as well as the life prediction of PTFE cable insulation materials.

scholarly journals Molecular Dynamics Investigation of the Thermo-Mechanical Properties of the Moisture Invaded and Cross-Linked Epoxy System

Polymers ◽  
2021 ◽  
Vol 14 (1) ◽  
pp. 103
Author(s):  
Can Sheng ◽  
Gai Wu ◽  
Xiang Sun ◽  
Sheng Liu
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Diffusion Coefficient ◽  
Hydrogen Bonds ◽  
Epoxy Polymer ◽  
Uniaxial Tensile ◽  
Cross Linking ◽  
Water Molecules ◽  
Moisture Concentration

In spite of a high market share of plastic IC packaging, there are still reliability issues, especially for the effects of moisture. The mechanism between moisture and epoxy polymer is still obscure. A multi-step cross-linking approach was used to mimic the cross-linking process between the DGEBA resin and JEFFAMINE®-D230 agent. Based on the molecular dynamics method, the thermo-mechanical properties and microstructure of epoxy polymer were analyzed. In this paper, the degree of cross-linking ranged from 0% to 85.4% and the moisture concentration ranged from 0 wt.% to 12 wt.%. The hydrogen bonds were investigated in the moisture invaded epoxy polymer. Although most of the hydrogen bonds were related to water molecules, the hydrogen bonds between the inside of epoxy polymer were reduced only a little as the concentration of moisture increased. The diffusion coefficient of the water molecules was found to increase with the increase of moisture concentration. When the moisture concentration was larger than 12 wt.% or smaller than 1.6 wt.%, the diffusion coefficient was less affected by the epoxy polymer. In addition, the free volume and the thermal conductivity of the epoxy polymer were considered. It was found that the moisture could increase the thermal conductivity from 0.24 to 0.31 W/m/K, identifying a coupling relationship between moisture and thermal properties. Finally, the mechanical properties of epoxy polymer were analyzed by uniaxial tensile simulation. The COMPASS and DREIDING force fields were used during the uniaxial tensile simulation. A better result was achieved from the DREIDING force field compared with the experiment. The degree of cross-linking was positively correlated with mechanical properties. For the system with the largest degree of cross-linking of 85.4%, the Young’s modulus was 2.134 ± 0.522 GPa and the yield strength was 0.081 ± 0.01 GPa. There were both plasticizing and anti-plasticizing effects when the water molecules entered the epoxy polymer. Both the Young’s moduli and yield strength varied in a large range from 1.38 to 2.344 GPa and from 0.062 to 0.128 GPa, respectively.

BRUSH ALLOY 3

Alloy Digest ◽  
1983 ◽  
Vol 32 (3) ◽  
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Corrosion Resistance ◽  
Physical Properties ◽  
Copper Alloy ◽  
Elevated Temperatures ◽  
Physical And Mechanical Properties ◽  
Heat Treating ◽  
Good Resistance ◽  
Good Corrosion Resistance

Abstract BRUSH Alloy 3 offers the highest electrical and thermal conductivity of any beryllium-copper alloy. It possesses an excellent combination of moderate strength, good corrosion resistance and good resistance to moderately elevated temperatures. Because of its unique physical and mechanical properties, Brush Alloy 3 finds widespread use in welding applications (RWMA Class 3), current-carrying springs, switch and instrument parts and similar components. This datasheet provides information on composition, physical properties, hardness, elasticity, and tensile properties as well as fatigue. It also includes information on corrosion resistance as well as casting, forming, heat treating, machining, joining, and surface treatment. Filing Code: Cu-454. Producer or source: Brush Wellman Inc..

Physical Properties of Building Blocks from Hemp Shives Aggregate and Cementitious Binder, Manufactured in the Expanded Clay (Vibro Pressing) Production Line

2017 ◽  
Vol 908 ◽  
pp. 118-122 ◽  
Author(s):  
Giedrius Balčiūnas ◽  
Viktor Kizinievič ◽  
Justinas Gargasas
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Compressive Strength ◽  
Physical Properties ◽  
Production Line ◽  
Scientific Literature ◽  
Building Blocks ◽  
Freeze Thaw ◽  
Cementitious Binder ◽  
Pressing Technology

Scientific literature mostly aims at investigation of composites with fibre hemp shives (FHS) aggregate and lime binder, although, such materials are characterised by pretty low mechanical properties. In order to obtain higher mechanical properties of a composite, it is appropriate to use cementitious binder. This work investigates physical properties of blocks from hemp shives aggregate and cementitious binder, manufactured in the expanded clay production line using vibro pressing technology. Following properties of the blocks are determined: freeze-thaw resistance, compressive strength, thermal conductivity and density. Thermal resistance according to EN ISO 6946 for the block with cavities is calculated as well. It is found that compressive strength of FHS-cement blocks may be up to 3.18 MPa when the density is of ~850 kg/m3 and thermal conductivity up to 0.135 W/(m∙K). It is found as well that the decrease of compressive strength is 8.7% after 25 freeze-thaw cycles.

scholarly journals Origin of the enhanced structural and reorientational relaxation rates in the presence of relatively weak dc electric fields

2004 ◽  
Vol 76 (1) ◽  
pp. 215-221 ◽  
Author(s):  
A. Vegiri
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Electric Fields ◽  
Structural Relaxation ◽  
Structural Changes ◽  
Common Mechanism ◽  
Weak Electric Field ◽  
Water Molecules ◽  
Relaxation Rates ◽  
Dynamics Simulations

The origin of the dramatic increase of the reorientational and structural relaxation rates of single water molecules in clusters of size N = 16, 32, and 64 at T = 200 K, under the influence of an external, relatively weak electric field (~0.5 107 V/cm) is examined through molecular dynamics simulations. The observed effect is attributed not to any profound structural changes, but to the increase of the size of the molecular cage. The response of water to an electric field in this range shows many similarities with the dynamics of water under low pressure. By referring to simulations and experiments from the literature, we show that in both cases the observed effects are dictated by a common mechanism.

Effects of boric acid addition and sintering temperature on the thermal conductivity of perlitebased insulation materials

2020 ◽  
Vol 62 (4) ◽  
pp. 408-412
Author(s):  
Yuksel Palaci
Keyword(s):  
Thermal Conductivity ◽  
Physical Properties ◽  
Boric Acid ◽  
Thermal Insulation ◽  
Sintering Temperature ◽  
Direct Relation ◽  
Insulation Materials ◽  
Acid Addition ◽  
Composition Characteristics

Abstract In this study, the variation of thermal conductivity and density of 15 wt.-% boric acid - 85 wt.-% sepiolite, 30 wt.-% boric acid - 30 wt.-% sepiolite - 40 wt.-% perlite, 30 wt.-% boric acid - 30 wt.-% cordierite - 40 wt.-% perlite and 30 wt.-% boric acid - 30 wt.-% alumina - 40 wt.-% perlite compositions at 700 °C and 900 °C sintering temperatures were investigated. The results show that increasing the amount of boric acid and decreasing the sintering temperature lead to an improvement in thermal insulation properties. There is a direct relation between the thermal conductivity and density of the specimens. Both physical properties change with a change in the sintering temperature and the composition characteristics. Minimum thermal conductivity has been observed in a specimen consisting of 30 wt.-% boric acid - 30 wt.-% alumina - 40 wt.-% perlite.

Molecular Dynamics Simulations of the Conductivity of Aqueous NaCl in the Presence of Sucrose and Electric Fields

2014 ◽  
Vol 937 ◽  
pp. 200-206
Author(s):  
Xiao Gang Li ◽  
Shu Ai Yang ◽  
Ming Jun Tang ◽  
Jing Lei ◽  
Hui Hu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Electric Fields ◽  
Ion Pairs ◽  
Water Molecules ◽  
Flashover Voltage ◽  
Low Humidity ◽  
Natural Contamination ◽  
Dynamics Simulations ◽  
Contact Ion Pairs

Various natural contamination components distributed on the surface of high-voltage insulators play important roles on the flashover hazard. Under the low humidity condition, the flashover voltage could be affected considerably by the sucrose contaminations. Molecular dynamics simulations have been carried out in order to reveal the microscopic mechanisms for the sucrose-involved flashover uptake. It is found that the diffusion of ions decreases significantly and thus the conductivity of aqueous medium is lowered apparently. In the presence of sucrose, the contact ion pairs formed between Na+ and Cl- ions are enhanced because both ions are less coordinated to water molecules. The influence of the external electric fields on the diffusion and conductivity were investigated as well. It is suggested that the sucrose contamination might lead to the uneven electric fields on the insulator surface.

Structure, Mechanical Properties, and Thermal Transport in Microporous Silicon Nitride Via Parallel Molecular Dynamics

1995 ◽  
Vol 408 ◽  
Author(s):  
Andrey Omeltchenko ◽  
Aiichiro Nakano ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Silicon Nitride ◽  
Elastic Constants ◽  
Thermal Transport ◽  
Entire System ◽  
Amorphous Silicon Nitride ◽  
Parallel Molecular Dynamics ◽  
Dynamics Simulations

AbstractMolecular dynamics simulations are performed to investigate structure, mechanical properties, and thermal transport in amorphous silicon nitride under uniform dilation. As the density is lowered, we observe the formation of pores below ρ = 2.6 g/cc and at 2.0 g/cc the largest pore percolates through the entire system. Effects of porosity on elastic constants, phonons and thermal conductivity are investigated. Thermal conductivity and Young's modulus are found to scale as ρ1.5 and ρ3.6, respectively.

scholarly journals Improvement in mechanical properties in AlN-h-BN composites with high thermal conductivity

2021 ◽  
Author(s):  
Zetan Liu ◽  
Shiqiang Zhao ◽  
Tian Yang ◽  
Ji Zhou
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Hexagonal Boron Nitride ◽  
Relative Dielectric Constant ◽  
High Strength ◽  
Secondary Phase ◽  
High Thermal Conductivity ◽  
Raw Material ◽  
Composite Ceramics ◽  
Powder Particles

AbstractIt is possible to improve the machinability of aluminum nitride-hexagonal boron nitride (AlN-h-BN) ceramics while maintaining high strength and high thermal conductivity. The composite ceramics with 0–30 wt% BN as secondary phase were prepared by hot pressed sintering, using yttrium oxide (Y2O3) as sintering aid. The phase composition, density, microstructure, mechanical properties, thermal conductivity, and dielectric properties were investigated. The sintering additives were favorable to purify the grain boundaries and improve densification, reacting with oxide impurities on the surface of raw material powder particles. The optimum BN content improved the flexural strength and fracture toughness of composite ceramics with 475 MPa and 4.86 MPa·m1/2, respectively. With increasing the amount of BN, the thermal conductivity and hardness of composites gradually decreased, but the minimum value of thermal conductivity was still 85.6 W·m−1·K−1. The relative dielectric constant and dielectric loss tangent of the samples ranged from 6.8 to 8.3 and from 2.4 × 10−3 to 6.4 × 10−3, respectively, in 22–26 GHz.

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