Approximate expression of Young’s equation and molecular dynamics simulation for its applicability

Cui, Shuwen; Wei, Jiachen; Liu, Weiwei; Zhu, Rui; Qian, Ping

doi:10.1088/1674-1056/28/1/016801

Cited by 3 publications

(3 citation statements)

References 24 publications

(27 reference statements)

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“…Molecular dynamics (MD) simulation provides a more direct and effective way to study the nucleation of bubbles from the microscopic perspective. It has been extensively used to study the nucleation of Lennard-Jones liquids [16][17][18][19] and nanobubbles. [20][21][22] Classical molecular dynamics is a computer simulation method used to study the equilibrium and transport properties of a classical many-body system by solving Newton's classical equations of motion for each component.…”

Section: Introductionmentioning

confidence: 99%

“…Most researchers have investigated the nucleation of liquid argon using MD simulation, [18,19,[25][26][27][28][29][30] since the interactions between liquid argon atoms are easy to describe. The results showed that the nucleation rate of liquid argon obtained by MD simulation is 7-9 orders of magnitude higher than that obtained by CNT [26,27] and that nucleation is affected by temperature.…”

Section: Introductionmentioning

confidence: 99%

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A study of cavitation nucleation in pure water using molecular dynamics simulation

Xie¹,

yuequn²,

Cheng³

2022

Chinese Phys. B

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To discover the microcosmic mechanism of cavitation nucleation in pure water, the nucleation processes in pure water are simulated using the molecular dynamics method. Cavitation nucleation is generated by uniformly stretching of the system under isothermal conditions, and the formation and development of cavitation nuclei are simulated and discussed at the molecular level. The process of energy, pressure, and density are analyzed, and the tensile strength of the pure water and the critical volume of the bubble nuclei are investigated. The results show that critical states exist in the process of cavitation nucleation. In the critical state, the energy, density, and pressure of the system would change abruptly, and the steady cavitation nucleus would be produced if the energy barrier and critical volume has been broken through. System pressure and water density are the key factors in generating cavitation nuclei. When the critical state is broken through, the liquid is completely ruptured, and the volume of the cavitation nucleus increases rapidly to more than 100 nm3 and then the surface tension of the bubble dominates the cavitation nucleus instead of intermolecular forces. The negative critical pressure of bubble nucleation is -198.6MPa, the corresponding critical volume is 13.84nm3 and the nucleation rate is 2.42×1032 m-3 s-1 in pure water at 300K. Temperature has a significant effect on nucleation, as temperature rises, nucleation thresholds decrease, and cavitation nucleation occurs earlier.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

A study of cavitation nucleation in pure water using molecular dynamics simulation

Xie¹,

yuequn²,

Cheng³

2022

Chinese Phys. B

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“…Of course, the syner-gistic effect between the amorphous phase and the crystalline phase is very important, which can be coordinated by adjusting the size of the amorphous phase and crystalline phase. In various experimental and theoretical methods, the method of the molecular dynamics (MD) simulation proves to be useful, particularly in investigating macroscopic and microscopic phenomena of materials, [30][31][32] and it is reliable in revealing the strengthening mechanism and deformation mechanism of metal materials. [33] Here, the effect of the crystalline orientation, the component of the amorphous phase and AB spacing on the deformation behavior of DPMA under tensile loading are investigated by the MD simulation method.…”

Section: Introductionmentioning

confidence: 99%

Balancing strength and plasticity of dual-phase amorphous/crystalline nanostructured Mg alloys*

Wang¹,

Song²,

An³

et al. 2020

Chinese Phys. B

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The dual-phase amorphous/crystalline nanostructured model proves to be an effective method to improve the plasticity of Mg alloys. The purpose of this paper is to explore an approach to improving the ductility and strength of Mg alloys at the same time. Here, the effect of amorphous phase strength, crystalline phase strength, and amorphous boundary (AB) spacing on the mechanical properties of dual-phase Mg alloys (DPMAs) under tensile loading are investigated by the molecular dynamics simulation method. The results confirm that the strength of DPMA can be significantly improved while its excellent plasticity is maintained by adjusting the strength of the amorphous phase or crystalline phase and optimizing the AB spacing. For the DPMA, when the amorphous phase (or crystalline phase) is strengthened to enhance its strength, the AB spacing should be increased (or reduced) to obtain superior plasticity at the same time. The results also indicate that the DPMA containing high strength amorphous phase exhibits three different deformation modes during plastic deformation with the increase of AB spacing. The research results will present a theoretical basis and early guidance for designing and developing the high-performance dual-phase hexagonal close-packed nanostructured metals.

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Quantitative Evaluation on Fusion Behavior of Rejuvenator and Aged Asphalt Based on Multi-scale Experiments

Yin

Pan

2023

Journal of Testing and Evaluation

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The application of recycled asphalt not only alleviated the accumulation of reclaimed asphalt pavement (RAP) but also reduced the consumption of resources, which had a significant economic and social benefit. However, the utilization of RAP was still a great challenge for the application of recycled asphalt; one of the important reasons for this was the lack of quantitative analysis on the fusion behavior and fusion degree between rejuvenator and aged asphalt. To refine and propose the quantitative evaluation index of the fusion degree of rejuvenator and aged asphalt, the recycled asphalt was prepared in this study using a self-developed rejuvenator, and it was analyzed by various tests. The results showed that the addition of rejuvenator decreased and then increased the viscous activation energy and complex modulus index value, and the fusion degree also exhibited a similar variation trend. The increasing of carbonyl index and sulfoxide index indicated the fusion degree was increased with the incorporation of rejuvenator. Furthermore, the higher the rejuvenator dosage, the faster the wetting speed, and the higher the wetting work, which was more conducive to improving the fusion degree. The average optical density and integrating optical density in the recycled asphalt gradually decreased, and the fusion degree gradually increased. Moreover, the morphological parameter values of recycled asphalt were positive correlation with rejuvenator dosage. Finally, the calculation results of the principal component analysis model and grey relation analysis model found that the wetting work was more suitable for quantitative analysis of fusion behavior than other evaluation indexes. The findings of this research provide a potential guideline for evaluating the performance of recycled asphalt, which may improve the way of using recycled asphalt.

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Approximate expression of Young’s equation and molecular dynamics simulation for its applicability

Cited by 3 publications

References 24 publications

A study of cavitation nucleation in pure water using molecular dynamics simulation

A study of cavitation nucleation in pure water using molecular dynamics simulation

Balancing strength and plasticity of dual-phase amorphous/crystalline nanostructured Mg alloys*

Quantitative Evaluation on Fusion Behavior of Rejuvenator and Aged Asphalt Based on Multi-scale Experiments

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