Properties of materials

In this study, we explore the potential of graph neural networks (GNNs), in combination with transfer learning, for the prediction of molecular solubility, a crucial property in drug discovery and materials science. Our approach begins with the development of a GNN-based model to predict the dipole moment of molecules.

8p viling 11-10-2024 0 0   Download

In this study, spinel ferrite nanoparticles CoFe2-xLaxO4 (x = 0, 0.025, and 0.05) were successfully synthesized via a simple co-precipitation method using a 5% NaOH solution as a precipitating agent. The physicochemical properties of the materials, annealed at 850 °C for one hour, were characterized using powder X-ray diffraction (PXRD), energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), and vibrating-sample magnetometry (VSM) at room temperature.

10p viling 11-10-2024 1 0   Download

Zinc oxide is highly sought after for several applications in biology, optoelectronics, electronics, and sensing. Zinc oxide nanorods exhibit a high exciton binding energy and a wide direct band gap, making them an attractive material for ultraviolet optoelectronic devices in the compound semiconductor field.

6p viling 11-10-2024 2 0   Download

Layered structures are widely used in construction, such as pavement structures consisting of multiple layers of different materials or interfaces between bricks and mortar in masonry structures, etc. In analyzing such structures, understanding the properties of the interface between two layers of materials is essential.

15p vibecca 01-10-2024 1 0   Download

In recent years, the prediction of the effective transport properties have received a great number of investigations. The present work is dedicated to determining the effective permeability of two-dimensional (2D) doubly porous materials made of an isotropic permeable solid matrix in which elliptical shaped pores of any size are embedded.

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The paper's contributions can extend to optimizing concrete mixtures, formulating repair strategies, and improving structural assessments. Further research is suggested to improve the accuracy of simulations and investigate material properties under various conditions.

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Wood, an environmentally friendly construction material, is characterized by a critical attribute that significantly influences its mechanical properties and durability: its moisture absorption behavior. This study expands upon an existing one-dimensional model to develop an innovative two-dimensional numerical framework for simulating moisture propagation within wood.

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Although macadamia oil cake (MOC) is a by-product of macadamia oil processing, this material still has high nutritional value, making it a promising ingredient for food products. This study aimed to investigate effects of the MOC supplementation at different ratios on physical properties, nutritional composition and sensory quality of bread.

11p vibecca 01-10-2024 3 2   Download

Zero valent iron (ZVI) nanoparticles have been considered as effective materials for environmental remediation because of their strong reducing ability, high reaction activity, and excellent absorption properties. In this study, we synthesized iron nanoparticles using an environmentally friendly method in order to treat Cr(VI) ions in an aqueous medium.

8p vibecca 01-10-2024 1 1   Download

In this study, a series of Consolidated–Undrained triaxial compression tests were conducted at a constant axial strain rate, with a small unloading and reloading during the monotonic loading to investigate the effect of various densities and curing times on the mechanical properties of Liquefied Stabilized Soil (LSS).

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In this research, the nanosized Fe2V4O13 complex oxide material was synthesized by the hydrothermal method. Its structure, morphology characterization, and other properties were determined using X-ray, SEM, EDX, and DTA-TG methods.

5p vikwong 29-09-2024 2 1   Download

The single phase of Mn0.5Fe2.5O4 spinel crystals was prepared by the microemulsion method with the oil phase is DGDE (diethylene glycol diethyl ether). The characteristics of the materials have been determined by the X-ray diffraction (XRD), Energy-dispersive X-ray spectroscopy (EDX), Scanning electron microscopy (SEM) and Brunaure-Emmet-Teller (BET) nitrogen adsorption and desorption, Vibration sampling magnetometer (VSM), Fourier transform infrared spectroscopy (FTIR).

7p vikwong 29-09-2024 3 1   Download

Novel g-C3N4/InVO4 materials were synthesized by a fabricated via hydrothermal and heating methods. The physicochemical properties of the photocatalysts were investigated by X-ray diffraction (XRD), infrared spectroscopy (IR), Photoluminescence spectroscopy (PL), UV-Vis diffuse reflectance spectroscopy (UV-Vis-DRS) and Energy dispersive X-ray spectroscopy (EDX).

5p vikwong 29-09-2024 5 1   Download

In this study, ZnO was synthesized by the simple hydrothermal method. The physicochemical properties of the materials were characterized by SEM, XRD, N adsorption/desorption isotherm methods.

6p vikwong 29-09-2024 2 1   Download

In this study, a layered O3-type Ni-rich cathode material for sodium-ion batteries was synthesized through co-precipitation followed by a solid-state reaction at 650 oC in dry air. The electrochemical properties of the Ni-rich material were evaluated. Charge/discharge performance demonstrated that the material delivered higher capacity compared to other layered oxides.

6p vikwong 29-09-2024 2 1   Download

In this paper, a Fe3O4/Au/Eu(TTA)3-folate nanocomplex was successfully synthesized. The as-synthesized material has small size from 75 to 100 nm in diameter and good dispersity in solution.

6p vikwong 29-09-2024 4 1   Download

Ordered mesoporous carbon materials using MCF silica as hard template (OMC(MCF)) were synthesized. The synthesized OMC(MCF) materials were characterized by different techniques such as XRD, TEM, BET.

6p vikwong 29-09-2024 1 1   Download

This study employs the tight-binding density functional method GFN1-xTB to investigate the structural and electronic properties of TiO2-ZnO and TiO2-ZnO composite materials modified by Li, Na, K, and Fe metals. Computational analyses reveal the formation of weak covalent bonds between the TiO2 and ZnO components within the composite system. Doping TiO2-ZnO with metals induces significant alterations in the electronic structure, particularly in terms of ionization energy and global electrophilic index.

5p vikwong 29-09-2024 2 1   Download

The adsorption of Pb2+ ions in solution by synthetic hydroxyapatite material was researched. The effects of adsorption time, adsorbent mass, solution pH, and Pb2+ ion concentration on adsorption properties were investigated. The Pb2+ adsorption efficiency of material can reach 98.7%. Two adsorption isotherm models, Freunlich and Langmuir, were used to evaluate adsorption isotherms.

6p vikwong 29-09-2024 4 1   Download

Zeolite seed-based mesoporous aluminosilicate material MSU-S is normally synthesized from pure chemicals. In the study, MSU-S material was synthesized using natural resources such as rice husk, and kaolin in Vietnam. Here, a systematic investigation is conducted to find the relationship between the synthesis conditions (aging time, hydrothermal time, hydrothermal temperature, pH environment) and the formation of mesoporous structure, as well as the material properties.

6p vikwong 29-09-2024 6 1   Download