Prism-Based DGTD With a Simplified Periodic Boundary Condition to Analyze FSS With D<sub>2n</sub>Symmetry in a Rectangular Array Under Normal Incidence

Mai, Wending; Li, Ping; Bao, Huaguang; Li, Xianjin; Jiang, Lijun; Hu, Jun; Werner, Douglas H.

doi:10.1109/lawp.2019.2902340

Cited by 31 publications

(10 citation statements)

References 26 publications

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“…Computationally, the MD simulation boxes are 150 Å in x orientation and 50 Å in y and z orientations, and 5400 atoms are described inside the simulation box. Technically, periodic boundary conditions are used in different simulated structures 45 . In this step, total energy and temperature changes are calculated as a function of MD simulation time to present the equilibration trend in the simulated compound.…”

Section: Simulation Detailsmentioning

confidence: 99%

RETRACTED ARTICLE: The numerical study of pressure and temperature effects on mechanical properties of baghdadite-based nanostructure: molecular dynamics simulation

Bykanova

Akhmadeev

et al. 2022

Sci Rep

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Bioceramics have been commonly implemented to replace and restore hard tissues such as teeth and bones in recent years. Among different bioceramics, Baghdadite (BAG) has high bioactivity due to its ability to form apatite and stimulate cell proliferation. So, this structure is used widely for medical applications to treat bone-based diseases. Physically, we expect changes in temperature and pressure to affect the Baghdadite-based nanostructure’s mechanical behaviour. So, in this computational study, we report the pressure/temperature effect on Baghdadite matrix with nanoscale size by using Molecular Dynamics (MD) approach. To this end, physical values like the total energy, temperature, final strength (FS), stress–strain curve, potential energy, and Young’s modulus (YM) are reported. Simulation results indicated the mechanical properties of Baghdadite (BAG) nanostructure weakened by temperature and pressure increase. Numerically, the FS and YM of the defined structure reach 131.40 MPa/159.43 MPa, and 115.15 MPa/139.72 MPa with temperature/pressure increasing. Therefore, the increase in initial pressure and temperature leads to a decrease in the mechanical properties of nanostructures. These results indicate the importance of the initial condition in the Baghdadite-based nanostructures’ mechanical behaviour that must be considered in clinical applications.

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Section: Simulation Detailsmentioning

confidence: 99%

RETRACTED ARTICLE: The numerical study of pressure and temperature effects on mechanical properties of baghdadite-based nanostructure: molecular dynamics simulation

Bykanova

Akhmadeev

et al. 2022

Sci Rep

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“…In other words, by using this MD simulation package, BNNT and C 20 atomic structures simulated as figure 1. Computationally, in depicted structure, periodic boundary conditions implemented in x-direction and fix one used for y and z directions [33]. Next, Nose-Hoover thermostat used to temperature equilibrates of the simulated system [34][35].…”

Section: Methodsmentioning

confidence: 99%

The study of boron-nitride nanotube behavior as an atomic nano-pump for biomedicine applications

Sabetvand

Jami

2021

J Mol Model

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In this study we use molecular dynamics (MD) simulations to describe the nanopumping process of Boron Nitride Nanotube (BNNT) with fullerene molecule displacement for the first time.Technically, for the simulation of BNNT and fullerene structures, we used Tersoff force-field. The result of the equilibrium process of these structures shows the excellent stability of them which this atomic behavior arises from the appropriate settings in our MD simulations. Further, to describe the BNNT nanopumping process, we calculate the velocity and translational/rotational kinetic energy of fullerene molecule. Numerically, by increasing of simulated structures temperature from 275 K to 350 K, the nanopumping time varies from 9.31 ps to 8.55 ps, respectively. Further, the atomic wave producing in BNNT is an important parameter for nanopumping process and we decrease the nanopumpint time to 7.79 ps by this atomic parameter optimization.

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“…[16][17][18] Technically, in the simulation box, periodic boundary conditions are implemented in three directions. 19 Furthermore, the volume of this computational box is set to 500 nm 3 in two samples. Aerward, the Nose-Hoover algorithm is implemented on the atomistic systems at x temperature of 27 °C with 0.001 fs as a simulation time step.…”

Section: Technical Description Of MD Simulationsmentioning

confidence: 99%

“…The length scale and energy parameters for non-bond interactions in the current computational study19 …”

mentioning

confidence: 99%

A hollow void catalyst of Co@C(Z-d)@void@CeO₂ for enhancing the performance and stability of the Fischer–Tropsch synthesis

Safari,

Haghtalab,

Roghabadi

2023

RSC Adv.

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Prism-Based DGTD With a Simplified Periodic Boundary Condition to Analyze FSS With D_2nSymmetry in a Rectangular Array Under Normal Incidence

Cited by 31 publications

References 26 publications

RETRACTED ARTICLE: The numerical study of pressure and temperature effects on mechanical properties of baghdadite-based nanostructure: molecular dynamics simulation

RETRACTED ARTICLE: The numerical study of pressure and temperature effects on mechanical properties of baghdadite-based nanostructure: molecular dynamics simulation

The study of boron-nitride nanotube behavior as an atomic nano-pump for biomedicine applications

A hollow void catalyst of Co@C(Z-d)@void@CeO₂ for enhancing the performance and stability of the Fischer–Tropsch synthesis

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Prism-Based DGTD With a Simplified Periodic Boundary Condition to Analyze FSS With D2nSymmetry in a Rectangular Array Under Normal Incidence

Cited by 31 publications

References 26 publications

RETRACTED ARTICLE: The numerical study of pressure and temperature effects on mechanical properties of baghdadite-based nanostructure: molecular dynamics simulation

RETRACTED ARTICLE: The numerical study of pressure and temperature effects on mechanical properties of baghdadite-based nanostructure: molecular dynamics simulation

The study of boron-nitride nanotube behavior as an atomic nano-pump for biomedicine applications

A hollow void catalyst of Co@C(Z-d)@void@CeO2 for enhancing the performance and stability of the Fischer–Tropsch synthesis

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Product

Resources

About

Prism-Based DGTD With a Simplified Periodic Boundary Condition to Analyze FSS With D_2nSymmetry in a Rectangular Array Under Normal Incidence

A hollow void catalyst of Co@C(Z-d)@void@CeO₂ for enhancing the performance and stability of the Fischer–Tropsch synthesis