Atomic interaction between mediator protein of human prostate cancer (PHPC) and Fe/C720 Buckyballs-Statin is important for medical science. For the first time, we use molecular dynamics (MD) approach based on Newton’s formalism to describe the destruction of PHPC via Fe/C720 Buckyballs-Statin with atomic accuracy. In this work, the atomic interaction of PHPC and Fe/C720 Buckyballs-Statin introduced via equilibrium molecular dynamics approach. In this method, each PHPC and Fe/C720 Buckyballs-Statin is defined by C, H, Cl, N, O, P, S, and Fe elements and contrived by universal force field (UFF) and DREIDING force-field to introduce their time evolution. The results of our studies regarding the dynamical behavior of these atom-base compounds have been reported by calculating the Potential energy, center of mass (COM) position, diffusion ratio and volume of defined systems. The estimated values for these quantities show the attraction force between Buckyball-based structure and protein sample, which COM distance of these samples changes from 10.27 Å to 2.96 Å after 10 ns. Physically, these interactions causing the destruction of the PHPC. Numerically, the volume of this biostructure enlarged from 665,276 Å3 to 737,143 Å3 by MD time passing. This finding reported for the first time which can be considered by the pharmaceutical industry. Simulations indicated the volume of the PHPC increases by Fe/C720 Buckyballs-Statin diffusion into this compound. By enlarging this quantity (diffusion coefficient), the atomic stability of PHPC decreases and protein destruction procedure fulfilled.
Heat transfer enhancement (HTE) is a topic of everlasting importance in thermal engineering research. The latest focuses in this field are on nanosolutions for more efficient thermal transmission fluids (a) and designs of metallic foams (b) Metallic foams provide extended surfaces for HTE and possess advantages such as a high value of Cp, high thermal conductivity (TC) and being light weight. nanosolutions, on the other hand, can be used as an efficient HT medium as they exhibit higher TCs in comparison to base fluids. This review paper summarizes the physical properties of nanosolutions and or within the metal foam, focusing on HT and flow properties of nanosolutions, metal foam and combined NS-metal foam systems. The inspiration novelty for this review is the basic transference identifications for the HT enhancement of nanosolutions in porous media. The aim of the work is to provide insight on how nanosolutions in conjunction with porous media can be useful for HTE.
The use of porous media to simplify the thermohydraulic of a nuclear reactor is the topic of recent research. As a case study, the rector of 200 kW installed at Missouri University of Science and Technology is modeled in this paper. To help this objective, a fundamental CFD examination was completed to supplement the neutronics investigation on the present reactor. Characteristics of thermal energy removal from a typical research reactor are modeled by numerical thermal transport in porous media. The neutron flux is modeled by the nodal expansion method. For the thermo-hydraulic part, a three-dimensional governing equation is solved by an iterative method to find the steady-state solution of fluid flow and temperature in loss of coolant condition where the heat produced in the reactor core is removed by free convection. The profiles of heat flux for various power levels are benchmarked. Pressure, temperature, and velocity contours in the power passage were assessed at 300 kW and 500 kW power levels. To reduce the computational cost, a porous media approach for the whole geometry was utilized. The numerical results agree with the experimental results. The developed model can be used for safety and reliability analysis for various loss of coolant accidents.
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