Molecular dynamics simulation of Couette and Poiseuille Water-Copper nanofluid flows in rough and smooth nanochannels with different roughness configurations

Toghraie, Davood; Hekmatifar, Maboud; Salehipour, Yasaman; Afrand, Masoud

doi:10.1016/j.chemphys.2019.110505

Cited by 84 publications

(11 citation statements)

References 29 publications

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“…The nature of nanotechnology means working at the molecular and atomic levels in the dimensions of 1–100 nm 2 – 4 . Nanotechnology is used to intervene and fabricate the arrangement of devices, materials, and particles for greater efficiency 5 . Carbon nanotubes are one of the most important and widely used carbon structures.…”

Section: Introductionmentioning

confidence: 99%

The improvement of mechanical properties of conventional concretes using carbon nanoparticles using molecular dynamics simulation

Zhao

Nasution

Hekmatifar

et al. 2021

Sci Rep

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In the present study, the improvement of mechanical properties of conventional concretes using carbon nanoparticles is investigated. More precisely, carbon nanotubes are added to a pristine concrete matrix, and the mechanical properties of the resulting structure are investigated using the molecular dynamics (MD) method. Some parameters such as the mechanical behavior of the concrete matrix structure, the validation of the computational method, and the mechanical behavior of the concrete matrix structure with carbon nanotube are also examined. Also, physical quantities such as a stress–strain diagram, Poisson's coefficient, Young's modulus, and final strength are calculated and reported for atomic samples under external tension. From a numerical point of view, the quantities of Young's modulus and final strength are converged to 35 GPa and 35.38 MPa after the completion of computer simulations. This indicates the appropriate effect of carbon nanotubes in improving the mechanical behavior of concrete and the efficiency of molecular dynamics method in expressing the mechanical behavior of atomic structures such as concrete, carbon nanotubes and composite structures derived from raw materials is expressed that can be considered in industrial and construction cases.

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Section: Introductionmentioning

confidence: 99%

The improvement of mechanical properties of conventional concretes using carbon nanoparticles using molecular dynamics simulation

Zhao

Nasution

Hekmatifar

et al. 2021

Sci Rep

Self Cite

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“…Several aspects implicated in fluid transport CNTs have been rigorously explored basically by experiments such as electric field and pressure driven flows [19][20][21]. Despite the considerable advances in experimental studies [22], in particular during the last decade, the control of the water and ions flow inside carbon nanotubes has not yet been established in the literature [23].…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics investigations of ionic conductance at the nanoscale: Role of the water model and geometric parameters

Méjri

Mazouzi

Herlem

et al. 2022

Journal of Molecular Liquids

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“…They believed that the velocity distribution became more limited with the increase of depth of the cavity. Toghraie et al 31 simulated Couette and Poiseuille Cu-water nanofluids flowing in rough and smooth nanochannels. They found that the velocity distributions of the upper and lower walls were basically the same.…”

Section: Introductionmentioning

confidence: 99%

The effect of nanoparticle size and nanoparticle aggregation on the flow characteristics of nanofluids by molecular dynamics simulation

Bao

Zhong

Jie

et al. 2019

Advances in Mechanical Engineering

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Molecular dynamics simulation is used to investigate the flow characteristics of Cu–Ar nanofluids considering the influence of nanoparticle size and nanoparticle aggregation. Nanofluids viscosity is calculated by equilibrium molecular dynamics based on Green–Kubo equation. Results demonstrate that the viscosity of nanofluids decreases with the increase of nanoparticle size. In addition, nanoparticle aggregation results in the increase of the nanofluids viscosity. Compared with nanoparticle size, nanoparticle aggregation has a larger impact on viscosity. Nanofluids flowing in parallel-plate nanochannels are simulated. The velocity profiles are studied through three nanoparticle sizes (11.55, 14.55, and 18.33 Å) and four nanoparticle aggregate configurations. Results show that the velocity profile of 14.55 Å nanoparticle size is larger than that of other two nanoparticle sizes. As for four nanoparticles, the nanoparticles clustering as a line leads to the maximum velocity profile, while the nanoparticles clustering as a cube causes the minimum velocity profile. Compared with viscosity, nanoparticle aggregation has a greater effect on the velocity profile. When the nanoparticles are evenly distributed, the influence of viscosity on velocity profiles is dominant. Otherwise, the aggregation, aggregate configuration, and distribution of nanoparticles have a dominant impact on the flow characteristics of nanofluids.

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Molecular dynamics simulation of Couette and Poiseuille Water-Copper nanofluid flows in rough and smooth nanochannels with different roughness configurations

Cited by 84 publications

References 29 publications

The improvement of mechanical properties of conventional concretes using carbon nanoparticles using molecular dynamics simulation

The improvement of mechanical properties of conventional concretes using carbon nanoparticles using molecular dynamics simulation

Molecular dynamics investigations of ionic conductance at the nanoscale: Role of the water model and geometric parameters

The effect of nanoparticle size and nanoparticle aggregation on the flow characteristics of nanofluids by molecular dynamics simulation

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