117 Results Found

In this paper, the interfacial behavior and the atom diffusion behavior of an Al4Si alloy were systematically investigated by means of first-principles calculations. The K-points and cutoff energy of the computational system were determined by conver...

Understanding defect behavior and fission gas transport in uranium-molybdenum (U-Mo) fuels is key to explaining their swelling during reactor operation. In this study, we employed density functional theory (DFT) to systematically investigate the poin...

One of the key tasks in the geological disposal of radioactive waste is to investigate the blocking ability of different host rocks on nuclide migration in the disposal site. This study conducted experimental and numerical methods to the adsorption,...

General Purpose Polystyrene (GPPS) and High Impact Polystyrene (HIPS) is used in packaging food as well as for technical products. Knowledge of the diffusion behavior of organic molecules in polystyrene (PS) is important for the evaluation of the dif...

The increasing severity of arsenic pollution has progressively threatened human life and attracted much attention. One of the important topics in environmental sciences is to accurately describe the inorganic arsenic transport in heterogeneous porous...

Human pluripotent stem cells (hPSCs) are an important tool in the field of regenerative medicine due to their ability to differentiate towards all tissues of the adult organism. An important task in the study of hPSCs is to understand the factors tha...

Zirconium monoxide (ZrO) plays a key role in the water-side corrosion resistance of Zr alloys as cladding materials in nuclear reactors. This study investigates the behavior of intrinsic defects in ZrO through first-principles calculations, and the i...

Hydrogen, as the smallest atom and a key component of water, can penetrate minerals in various forms (e.g., atoms, molecules), significantly influencing their properties. The hydrogen diffusion behavior in corundum (α-Al2O3) under high pressure...

In the drying process of electrodes for lithium-ion batteries, the layer structure is defined and can only be influenced slightly in the subsequent process steps. An essential point in the drying process is the fixation of the binder, ensuring both t...

Collective cell migration is thought to be a dynamic and interactive behavior of cell cohorts that is essential for diverse physiological developments in living organisms. Recent studies revealed that the topographical properties of the environment r...

In this study, we investigated the relationship between the decarburization effect of the solid-state decarburization method for preparing silicon steel and the atomic diffusion behavior in the matrix, focusing on 1 mm thick Fe-0.18 wt% C-Si (1.5, 3....

The study aims at investigating diffusion behaviors between virgin asphalt and recycled asphalt mastic (RAM) at an atomistic scale. Firstly, a mutual diffusion model of virgin asphalt–RAM considering the actual mass ratio of filler to asphalt b...

Extracellular vesicles (EVs) secreted by tumor cells modulate recipient cells’ behavior, but their effects in normal cells from the tumor microenvironment remain poorly known. In this study, we dissected the functional impact of gastric cancer...

This article aims to study the non-Fickian water absorption process in vegetable fiber-reinforced polymer composite using the Langmuir-type model, evaluating the influence of mass diffusivity on the process. The numerical solutions of the governing e...

Apatite is an important carrier of rare earth elements (REEs) and phosphorite is a potential REEs resource. However, the influence of hydrothermal fluids on the migration and enrichment of REE in apatite remains controversial. The experimental study...

This paper presents scientific investigations into the materiality and aging behavior of a copy of Dieter Roth’s multiple POEMETRIE (1968), mainly made of p-PVC components and minced meat, with the aim of informing conservation-restoration stra...

The behaviors of xenon in molybdenum were studied using molecular statics and molecular dynamics simulations. The diffusion mechanism of xenon atoms was studied combining molecular dynamics, nudged elastic band, and temperature-accelerated dynamics m...

Soil-gas diffusivity and its variation with soil moisture plays a fundamental role in diffusion-controlled migration of climate-impact gases from different terrestrial agroecosystems including cultivated soils and managed pasture systems. The wide co...

In this study, we used 0.2C-1.7Si-1.9Mn wt% cold-rolled sheet as the experimental material to prepare the Q&P sample with blocky microstructures and the QQ&P sample with lath-shaped microstructures through the Q&P and QQ&P processes,...

The local binding and migration behavior of the proton defect in cubic yttria-stabilized zirconia (YSZ) is studied by first-principles calculations and muon-spin spectroscopy (μSR) measurements. The calculations are based on density-functional the...

As the number of long-distance oil and gas pipelines crossing rivers increases, so does the risk of river oil spills. Previous research on oil spills in water mainly focuses on the oceans, and there are relatively few studies on oil spills in rivers....

This study presents an analytical model for two-dimensional pollutant transport within a three-layer composite liner system, which comprises a geomembrane (GM), a geosynthetic clay liner (GCL), and a soil liner (SL), with particular attention to defe...

Dye-containing wastewater discharge from the textile industry poses a serious pollution hazard that can be overcome by eliminating the washing step following the dyeing process. To study the washing-free printing of disperse dye ink, a number of wate...

Cell migration is an important biological process that has generated increasing interest during the last several years. This process is based on three phases: protrusion at the front end of the cell, de-adhesion at the rear end and contraction of the...

Accidentally spilled oil can cause great harm to the ecological balance of water once it enters the environmental waters. Clarifying its movement behavior and migration law in water has been the focus of environmental hydraulics research. This review...

Clarifying the migration law of heavy metal pollutants in soil is the key prerequisite for its treatment. Because most heavy metal pollutants possess color-rendering properties, it is theoretically feasible to use synthesized transparent soil to simu...

The fission gas uranium mononitride (UN) causes swelling and affects the properties of fission fuel. Since surface behavior is closely related to the release of gases, it is crucial to study the properties of Xe on the UN surface. Density functional...

Atomic diffusion by the vacancy defect of L12-Al3M (M = Sc, Zr, Er, Y) was investigated based on a first-principles calculation. The point defect formation energies were firstly evaluated. Then, the migration energy for different diffusion paths was...

Cracks greatly impact the durability of concrete structures due to their influence on the migration of chloride ions and the corrosion process of steel bars. This study investigates the effects of transverse cracks on chloride diffusion and the corro...

Cyanobacteria often cause harmful algal blooms and release toxic substances that can harm humans and animals. Accurately modeling these phytoplankton is a step towards predicting, preventing, and controlling such blooms. Certain cyanobacteria species...

Na3V2(PO4)3 (NVP), a NASICON-type material, has gained attention as a promising battery cathode owing to its high sodium mobility and excellent structural stability. Using computational simulation techniques based on classical potentials and density...

Landfills necessitate a liner barrier system to prevent the leakage of contaminants into the surrounding soil. However, the currently employed compacted clay liner (CCL) is insufficient to prevent the leakage of heavy metal ions. This study proposes...

The excellent moisture transport properties of yarns play a crucial role in improving the liquid moisture transfer behavior within textiles and maintaining their thermal-wet comfort. However, the current research on the moisture management performanc...

First-principles calculations were employed to study the solution and diffusion properties of hydrogen (H) at the Si-rich and C-rich Σ3(111)[11¯0] (Σ3Si and Σ3C) and Σ9(221)[11¯0] (Σ9) grain boundaries (GBs) in...

The migration of radioactive waste in geological environments often exhibits anomalies, such as tailing and early arrival. Fractional derivative models (FADE) can provide a good description of these phenomena. However, developing models for solute tr...

In order to reveal the migration and evolution of gas molecules in the actual oil–paper insulation composite system of transformer from the molecular level, the diffusion behavior of seven gas molecules (H2, CO, CO2, CH4, C2H2, C2H4, C2H6) gene...

The sintering of osmium is critical for the preparation of raw material targets for film coating, which is the main application area of osmium. In order to get a better understanding of the intrinsic mechanism of densification of osmium, a serial stu...

Defect-engineering accelerates the conduction of lithium ions in the cathode materials of lithium-ion batteries. However, the effects of defect-engineering on ion conduction and its mechanisms in humid environments remain unclear in the academic disc...

During the implementation of the riprap project, the underwater migration process of the stones is quite uncertain because of its difficulty to observe. The process of stone transportation is discrete, which makes it unsuitable to be described by a c...

Chemotactic cell migration plays a crucial role in physiological and pathophysiological processes. In tissues, cells can migrate not only through extracellular matrix (ECM), but also along stromal cell surfaces via membrane-bound receptor–ligand inte...

In this work, we report the electrical properties of cytochrome C (Cyt C) inside porous silicon (PSi). We first used two techniques of protein infiltration: classic sitting drop and electrochemical migration methods. The electrochemically assisted ce...

In this study, we couple precise interface engineering via alternating current electrophoretic deposition (AC–EPD) with performance-enhancing structural transformation via annealing, enabling the development of high-performance, stable, and tun...

Background/Objectives: Breast cancer, a leading health threat affecting millions worldwide, requires effective therapeutic interventions. Celastrol (CEL), despite its antitumor potential, is limited by poor solubility and stability. This study aimed...

This study investigates the cooling process of the Cu/Al2Cu/Al system following high-temperature diffusion using molecular dynamics (MD) simulations based on an embedded atom method potential. The analysis focused on various characteristics to determ...

Anthraquinone acid dyes are widely used in dyeing polyamide due to their good exhaustion and brightness. While ionic interactions primarily govern dye–fiber bonding, the molecular weight (Mw) of these dyes can significantly influence migration,...

The concentration profiles and breakthrough curves of the 2 m thick compacted clay liner (CCL) given in the specification were compared, considering three different adsorption isotherms (upper convex, linear, and lower concave). In addition, the effe...

In order to further evaluate the behavior of ionospheric variations at Mars, we investigate the Martian ionosphere-thermosphere (IT) perturbations associated with non-migrating thermal tides using over four years of Mars Atmosphere and Volatile Evolu...

Al alloying/doping in HfO2-based resistive random-access memory (RRAM) has been proven to be an effective method for improving the low-resistance state (LRS) retention. However, a detailed understanding of Al concentration on oxygen vacancy migration...

Microplastic pollution in aquatic ecosystems has drawn attention not only because microplastics are likely to accumulate anywhere but also because they cause negative impacts both to aquatic biota and, indirectly, to public health, as a result of the...

For reactive transport process in porous media, limited mixing and non-Fickian behavior are difficult to understand and predict. To explore the effects of anomalous diffusion and limited mixing, the column-based experiments of bimolecular reactive mi...