Microscopic Study on Mechanical Properties of Different Microregions during In-Service Welding

2019 ◽  
Vol 944 ◽  
pp. 841-853
Author(s):  
Ling Qiao ◽  
Tao Han ◽  
Hong Tao Wang ◽  
Lai Hui Han ◽  
Shi Wei Gu
Keyword(s):  
High Temperature ◽  
Dynamic Properties ◽  
Failure Process ◽  
Physical Nature ◽  
Repair Process ◽  
Scientific Basis ◽  
Economic Benefits ◽  
Dynamics Simulation ◽  
Microscopic Mechanism ◽  
Burn Through

In-service welding has been gaining considerable attentions due to its significant economic benefits. At high temperature, several technical difficulties exist during repair process and burn-through has been one of the critical issues. To reveal the physical nature of burn-through, finite element simulation and molecular dynamics simulation are combined to investigate the micro dynamic properties of different micro regions in welded joint and the effect of crack on the microdynamic behavior in the process of material failure. The results indicate that burn-through is a failure process under the effect of tensile stress and high temperature. The performance near fusion line is the worst and a burn-through tends to occur at the regions behind maximum melting depth. The failure process of welded joints experience the initiation and development of micro defects. Continuous expansion of micro holes and micro cracks causes the structural fracture. Furthermore, the micro crack would decrease the structural strength and the failure mode differs for cracks in different direction. Failure process of crack structure has experienced the crack tip passivation and dislocation emission. And the formation of stacking fault is carried out in failure process. This paper reveals the microscopic mechanism of burn-through at the atomic level and provides a scientific basis for the continuous and safe operation of gas pipelines.

scholarly journals Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

RSC Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 5507-5515
Author(s):  
Liang Song ◽  
Feng-Qi Zhao ◽  
Si-Yu Xu ◽  
Xue-Hai Ju
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics ◽  
Ring Compounds ◽  
Fused Ring ◽  
Dynamics Simulations

The bimolecular and fused ring compounds are found in the high-temperature pyrolysis of NONA using ReaxFF molecular dynamics simulations.

Effect of CO2 on Anti-Corrosion Property of a Polyurea Coating Modified with Organosilicone

2014 ◽  
Vol 789 ◽  
pp. 466-470
Author(s):  
Qing Hao Shi ◽  
Bing Ying Wang ◽  
Bin Zhao
Keyword(s):  
High Temperature ◽  
Partial Pressure ◽  
Composite Coating ◽  
Corrosion Test ◽  
Electrochemical Impedance ◽  
Failure Process ◽  
Corrosion Property ◽  
Corrosion Mechanism ◽  
Partial Pressures ◽  
High Temperature High Pressure

The corrosion mechanism of organic silicon modified polyurea composite coating under different CO2 partial pressures was studied using high-temperature autoclave, combined with scanning electron microscopy (SEM), adhesion tests and electrochemical impedance spectroscopy (EIS) technology. The experimental results showed that: there was no corrosion product formed on the surface of coating sample after high-temperature high-pressure corrosion test, and with the increasing of CO2 partial pressure, the coating adhesion and impedance values decline increases. Moreover CO2 partial pressure increases accelerated the failure process of polyurea composite coating system.

Study on Bonding Properties of Copper and Aluminum in Nano Scale Using Molecular Dynamics Simulation

2012 ◽  
Vol 152-154 ◽  
pp. 183-187 ◽  
Author(s):  
Quang Cherng Hsu ◽  
Yen Yu Cheng ◽  
Bao Hsin Liu
Keyword(s):  
High Temperature ◽  
Low Temperature ◽  
Bonding Strength ◽  
High Speed ◽  
Tensile Force ◽  
Pure Aluminum ◽  
Pure Copper ◽  
Dynamics Simulation ◽  
Low Speed ◽  
Speed Condition

According to MD simulation results, pressing depth between two bonding materials will affect bonding strength. Alloy material (Al0.9Cu0.1) had void defect phenomenon in low bonding speed condition because the increasing chance of atom migration which will result in low bonding strength. High tensile speed causes material fracture phenomena happen earlier than low speed. Material stress in low speed is smaller than in high speed. Fracture morphology of material is different in different tensile speed. In low speed condition, material can be stretched thinner than in high speed condition. Material in high temperature has greater kinetic energy than low temperature; therefore, material in high temperature has better formability and behaves larger tensile strain than low temperature. For pure aluminum, when temperature raises to 900K which is close to melting point (933K), its crystal structure is no longer belongs to F.C.C. structure, so bonding strength is weaker than low temperature. Large size material has larger contact area than small size material; therefore, the tensile force and tensile strength of the former are larger than the latter. The order of bonding strength for these three materials is: binary alloy > pure copper > pure aluminum.

scholarly journals Molecule Dynamics Simulation of the Effect of Oxidative Aging on Properties of Nitrile Rubber

Polymers ◽  
2022 ◽  
Vol 14 (2) ◽  
pp. 226
Author(s):  
Jinsong Yang ◽  
Weitao Lou
Keyword(s):  
Free Volume ◽  
Dynamic Properties ◽  
Compressive Strain ◽  
Mean Square Displacement ◽  
Nitrile Rubber ◽  
Dynamics Simulation ◽  
Hydroxyl Groups ◽  
Carbonyl Groups ◽  
Fractional Free Volume ◽  
Oxidative Aging

The effects of oxidative aging on the static and dynamic properties of nitrile rubber at the molecular scale were investigated by molecular dynamics simulation. The aged nitrile rubber models were constructed by introducing hydroxyl groups and carbonyl groups into rubber molecular chains to mimic oxidative aging. The static and dynamic properties of the unaged and aged nitrile rubber under different conditions were evaluated by mean square displacement, self-diffusion coefficients, hydrogen bond, fractional free volume, radial distribution function, cohesive energy density and solubility parameter. The results show that the elevated temperature intensified significantly the mobility of rubber molecular chains and fractional free volume, while the compressive strain displayed the opposite effect resulting in packing and rearrangement of rubber chains. The introduction of hydroxyl groups and carbonyl groups enhanced the polarity, intermolecular interactions, the volume and rigidity of molecular chains, implying weaker mobility of molecular chains as compared to unaged models. The compressive strain and oxidative aging both decreased the fractional free volume, which inhibited gaseous and liquid diffusion into the rubber materials, and slowed down the oxidative aging rate. This study provides insights to better understand the effect of molecular changes due to oxidative aging on the structural and dynamic properties of rubber materials at the molecular level.

scholarly journals Molecular dynamics simulation of the evaporation of the surface wall of multi-wall carbon nanotubes at high temperature

2010 ◽  
Vol 59 (4) ◽  
pp. 2672
Author(s):  
Wang Wei ◽  
Zhang Kai-Wang ◽  
Meng Li-Jun ◽  
Li Zhong-Qiu ◽  
Zuo Xue-Yun ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Multi Wall Carbon Nanotubes
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