• Improvement of precision of numerical calculations using “Multiple precision computation” packageImprovement of precision of numerical calculations using “Multiple precision computation” package

    1 Introduction Recently, numerical computation is an efficient tool assisting scientists and engineers to not only evaluate the accuracy of experimental results and theoretical models but also predict those in extreme regimes which are not able to be considered in experiments or computed analytically due to the limitation of current technol...

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  • Ứng dụng phương pháp nghiền bi năng lượng cao để nâng cao hiệu quả phân tán vật liệu graphen đa lớp trong chất lỏngỨng dụng phương pháp nghiền bi năng lượng cao để nâng cao hiệu quả phân tán vật liệu graphen đa lớp trong chất lỏng

    Tóm tắt. Độ ổn định phân tán vật liệu graphen trong chất lỏng đóng vai trò rất quan trọng để nâng cao hiệu quả ứng dụng trong nhiều lĩnh vực, như trong chất lỏng nano, vật liệu tổ hợp, lĩnh vực y sinh, v.v. Do kích thước của vật liệu graphen ảnh hưởng lớn đến sự phân tán và độ ổn định của graphene, nên chúng tôi hướng đến cách tiếp cận rất mới l...

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  • Studying the physical – Medical – Biological properties of heme group in red blood cellsStudying the physical – Medical – Biological properties of heme group in red blood cells

    1. Introduction One of the functions of blood is oxygen transport. On average, many blood cycles carry about 600 liters of oxygen from the lungs to the tissues thanks to the heme group in red blood cells. Heme is a porphyrin molecule that contains Fe2+ in the center, which is an important component of the globin family such as hemoglobin, myogl...

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  • The short and intermediat range orders in a model of amorphous silica under compressionThe short and intermediat range orders in a model of amorphous silica under compression

    Abstract. The change of short and intermediate range orders in a model of amorphous silica at 500 K in the 0-100 GPa pressure range is investigated using molecular dynamics simulation. The pressure dependence of the bond length, bond angle and coordination distribution is analysed in detail. The transformation from tetrahedral to octahedral netw...

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  • Preparation and characterization of TiO2/GaN nanostructure composite for a degradation reaction of methylene bluePreparation and characterization of TiO2/GaN nanostructure composite for a degradation reaction of methylene blue

    Abstract. In an attempt to extend light absorption of a TiO2-based photocatalyst toward the visible light range, a new type of photocatalyst TiO2/GaN powder was prepared using a simple process. The crystal phase composition, structure and light absorption of the new photocatalysts were comprehensively examined by X-ray diffraction (XRD) and UV-v...

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  • Defect in the structure generates multi-band perfect metamaterial absorber in THz regimeDefect in the structure generates multi-band perfect metamaterial absorber in THz regime

    Abstract. In this paper, we present a multi-band perfect metamaterial absorber in the THz band applying defects to the absorber structure. Open boundary condition with an excitation port is used for the simulation of the full structure. A controlled defect was then introduced into the structure to study multi-band absorption. Multi-perfect absor...

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  • Molecular dynamic simulation of the crystallization of liquid iron nanoparticlesMolecular dynamic simulation of the crystallization of liquid iron nanoparticles

    Abstract. The crystallization of liquid iron nanoparticles has been investigated by means of molecular dynamic (MD) simulation. The simulation result shows that when the liquid iron samples are cooled from 2500 K to 300 K at a cooling rate of 0.667 K/ps, they are crystallized into body centered cubic (BCC) phase. The transformation to crystallin...

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  • The dynamic heterogeneity of aluminum-silicate under compressionThe dynamic heterogeneity of aluminum-silicate under compression

    Abstract. The microstructure and dynamic in aluminum-silicate melt has been studied using molecular dynamics (MD) simulation. The model consisting of 5500 particles and using Born–Mayer potentials has been constructed at a temperature of 3500 K and pressure varing from 0-20 GP. The analysis is carried out for separate subsets of oxygen, silicon ...

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  • Determination of carbon dioxide concentration in the atmosphere from absorption spectraDetermination of carbon dioxide concentration in the atmosphere from absorption spectra

    Abstract. Carbon dioxide (CO2) gas is one of the main greenhouse gases (following water vapor) and has a significant impact on the Earth’s climate. Determation of greenhouse gas concentration (of CO2 in particular) will improve our understanding of the Earth’s climate changes. In this study, we use absorption spectra to determine the concentrati...

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  • V-doped TiO2 anatase: Calculation and experimentV-doped TiO2 anatase: Calculation and experiment

    Abstract. To understand the effects of V in the increment of photocatalytic activity of Vdoped TiO2, the possible position of V in the TiO2 lattice is an important parameter. This research performed ab-initio calculations to find the possible doped position of V atoms into the lattice of TiO2 anatase and compared that with experimental results. C...

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