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1.
Heliyon ; 9(6): e17539, 2023 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-37416665

RESUMO

In the present study, the effects of nanoparticles, mass fraction percentage and temperature on the conductive heat transfer coefficient of Graphene nanosheets- Tungsten oxide/Liquid paraffin 107160 hybrid nanofluid was investigated. For this purpose, four different mass fractions were used in the range of 0.005%-5% in a number of examinations. The results illustrated that the thermal conductivity coefficient was increased with the increment of the mass fraction percentage and the temperature of Graphene nanosheets- Tungsten oxide nanomaterials in the base fluid. Then, a feed-forward artificial neural network was used to model the thermal conductivity coefficient. In general, with the increase in temperature and concentration of nanofluid, the value of thermal conductivity increases. The optimum value of thermal conductivity for this experiment was observed in the volume fraction of 5% and at the temperature of 70 °C. The results of this modeling indicated that the fault of the data estimated for the coefficient of thermal conductivity in the Graphene nanosheets- Tungsten oxide/Liquid paraffin 107160 nanofluid, as a function of mass fraction percentage and temperature, was less than 3%, as compared to the experimental data.

2.
Comput Biol Med ; 158: 106832, 2023 05.
Artigo em Inglês | MEDLINE | ID: mdl-37037148

RESUMO

BACKGROUND AND OBJECTIVE: The molecular dynamics (MD) simulation is a powerful tool for researching how cancer patients are treated. The efficiency of many factors may be predicted using this approach in great detail and with atomic accuracy. METHODS: The MD simulation method was used to investigate the impact of porosity and the number of cancer cells on the atomic behavior of cancer cells during the hematogenous spread. In order to examine the stability of simulated structures, temperature and potential energy (PE) values are used. To evaluate how cell structure has changed, physical parameters such as gyration radius, interaction force, and interaction energy are also used. RESULTS: The findings demonstrate that the samples' gyration radius, interaction energy, and interaction force rose from 41.33 Å, -551.38 kcal/mol, and -207.10 kcal/mol Å to 49.49, -535.94 kcal/mol, and -190.05 kcal/mol Å, respectively, when the porosity grew from 0% to 5%. Also, the interaction energy and force in the samples fell from -551.38 kcal/mol and -207.10 kcal/mol to -588.03 kcal/mol and -237.81 kcal/mol Å, and the amount of gyration radius reduced from 41.33 to 37.14 Å as the number of cancer cells rose from 1 to 5 molecules. The strength and stability of the simulated samples will improve when the radius of gyration is decreased. CONCLUSIONS: Therefore, high accumulation of cancer cells will make them resistant to atomic collapse. It is expected that the results of this simulation should be used to optimize cancer treatment processes further.


Assuntos
Simulação de Dinâmica Molecular , Neoplasias , Humanos , Porosidade , Simulação de Acoplamento Molecular
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