1,162 Results Found

Both the dispersion state of nanoparticles (NPs) within polymer nanocomposites (PNCs) and the dynamical state of the polymer altered by the presence of the NP/polymer interfaces have a strong impact on the macroscopic properties of PNCs. In particula...

Bimetals have broad application prospects in many fields due to the combination of the performance characteristics of the two materials, but weak interface bonding limits their promotion and application. Therefore, studying the interfacial behavior t...

We investigated the interfacial properties of symmetric ternary A_n/A_mB_m/B_n and A_n/A_m/2B_mA_m/2/B_n polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and con...

Hydrogel-based biosensors are commonly used in diagnostic applications. However, their performance remains constrained by slow analyte diffusion within polymer matrices, particularly when larger biomolecules are involved. Concave hydrogel geometries...

Dissipative particle dynamics (DPD) simulations is used to study the effect of A_m/2B_mA_m/2 and H-shaped (A_m/4)₂B_m(A_m/4)₂ block copolymers on the interfacial properties of ternary blends. Our simulations show the following: (i) The capacity of block co...

In this study, the effect of the type and content of functional groups on the interfacial shear properties of a functionalized graphene sheet (FGS)/thermoplastic polyurethane (TPU) nanocomposite are investigated by molecular dynamics (MD) simulations...

This study delves into the intricacies of ultraprecision machining, particularly in the context of machining optical freeform surfaces using Diamond Turning Machines (DTMs). It underscores the dynamic relationship between toolpath generation, hydrost...

Gas injection has received increasing attention as one of the key technologies to enhance oil recovery. When gas is dissolved in crude oil, it will accelerate the flow of crude oil by reducing the density, viscosity, interfacial tension (IFT), and ot...

The mechanical properties of PBT-based azide propellants, composed of a 3,3′-bis(azidomethyl)oxetane/tetrahydrofuran (PBT) copolymer matrix and defective ammonium perchlorate (AP) crystals, are significantly influenced by the matrix–cryst...

Microcapsules encapsulated within epoxy as a curing agent have been successfully applied in self-healing materials, in which the healing performance significantly depends on the binding behaviour of the epoxy curing agent with the cement matrix. In t...

Interfacial characteristics of polymer nanocomposites represent a crucial aspect to understand their global properties and to evaluate the interaction between nanofillers and matrix. In this work we used a molecular dynamics (MD) approach to characte...

Interface has a significant effect on mechanical properties of graphene reinforced metal composites. Taking graphene nanosheet reinforced iron composite (Gr/Fe) as an example, the interfacial characteristics of Gr/Fe (110), (111), ($11\overline{2}$), and (0...

The Tolman length and interfacial tension of partially miscible symmetric binary Lennard–Jones (LJ) fluids (A, B) was revealed by performing a large-scale molecular dynamics (MD) simulation with a sufficient interfacial area and cutting distance. A u...

The objective of this study is to unravel the modification mechanism of a coupling agent on the water sensitivity of phosphogypsum asphalt mortar. The adhesion process of phosphogypsum asphalt mastic modified with three kinds of coupling agents (KH-5...

The state of interface adhesion, as measured by the void ratio, is a critical factor affecting the adhesion strength and heat dissipation efficiency of a system. However, non-destructive and rapid detection of the adhesion process remains a challenge...

In this paper, we explain the amphoteric character of the cartilage surface by studying a lipid bilayer model built from phospholipids. We examined the interfacial tension values and molecular dynamics simulation in solutions of varying pH. The effec...

Graphene oxide, as a new two-dimensional material, has a large specific surface area, high thermal stability, excellent mechanical stability and exhibits hydrophilic properties. By combining the carboxyl groups on the surface of graphene oxide with h...

Filler defects and matrix crosslinking degree are the main factors affecting the interfacial adhesion properties of propellants. Improving adhesion can significantly enhance debonding resistance. In this study, all-atom molecular dynamics (MD) simula...

In this study, the atomistic-scale mechanisms affecting the interfacial stability of a thermoplastic polymer/graphene oxide interface are investigated using molecular dynamics simulations. Different combinations of thermoplastic polymers (polyethersu...

The performance indicators of concrete are mainly determined by the interface characteristics between cement hydration slurry and aggregates. In this study, molecular dynamics technology was used to evaluate the effect of the interfacial water conten...

Deicing salt effectively melts ice and snow to maintain traffic flow in seasonal freezing zones, but its erosion effect compromises the water stability and structural integrity of asphalt pavements. To comprehensively explore the impacts of salt eros...

In this study, polyether ether ketone (PEEK) composites reinforced with newly developed water-dispersible polyimide (PI)-sized carbon fibers (CFs) were developed to enhance the effects of the interfacial interaction between PI-sized CFs and a PEEK po...

The effect of the interface layer on energy release in nanoenergetic composite films is important and challenging for the utilization of energy. Nano Al/CuO composite films with different modulation periods were prepared by magnetron sputtering and t...

The cuttlebone, a chambered gas-filled structure found in cuttlefish, serves a crucial role in buoyancy control for the animal. This study investigates the motion of liquid-gas interfaces within cuttlebone-inspired artificial channels. The cuttlebone...

Carbon fiber-reinforced thermoplastic (CFRT) composites have been dramatically employed in the automotive field on account of their superior performances, such as being light weight and high-strength. Self-resistance electric (SRE) heating provides a...

The input of chemical and physical sciences to life sciences is increasingly important. Surface science as a complex multidisciplinary research area provides many relevant practical tools to support research in medicine. The tensiometry and surface r...

In this study, interface models of different polymer fibers and geopolymer products were constructed and the microscopic action mechanisms behind different polar oxygen-containing functional groups were revealed by analyzing the static structure of t...

Compared with polymer-modified ordinary-Portland-cement-based materials, research on cement materials based on polymer-modified sulfoaluminate is still in the preliminary stage and lacks an understanding of the mechanism of the interaction interface....

This study utilized molecular dynamics simulation to investigate the adhesion process between wood tar-rejuvenated asphalt and acid/alkaline aggregate. Initially, various indicators including the contact area, cohesion coefficient, and interaction en...

The pullout process of graphene from an epoxy/graphene composite filled with a carbon nanotube (CNT) was simulated by molecular dynamics simulations. The interaction energy and the interfacial adhesion energy were calculated to analyze the effect of...

Frictional interfaces are abundant in natural and engineering systems, and predicting their behavior still poses challenges of prime scientific and technological importance. At the heart of these challenges lies the inherent coupling between the inte...

Microgels are deformable polymer-networks with conspicuous properties. Their surface- activity associated with their switchability makes their application in liquid-liquid systems, such as extraction processes, particularly promising. For their appli...

The interface between nanofillers and matrix plays a key role in determining the properties of nanocomposites, but the interfacial characteristics of nanocomposites such as molecular structure and interaction strength are not fully understood yet. In...

Hybrid fiber reinforced thermoplastic composites are receiving important attention in lightweight applications. The fabrication process of hybrid thermoplastic composites is that discontinuous fiber reinforced thermoplastics are injected onto the con...

The behavior at an interface between carbon nanotubes (CNTs) and silver nanowire (AgNW) could hardly be observed experimentally on an atomic scale, and the interaction is difficult to accurately calculate due to nanometer size effects. In this work,...

Understanding the properties of polymer–metal interfacial friction is critical for accurate prototype design and process control in polymer-based advanced manufacturing. The transient polymer–metal interfacial friction characteristics are...

In this work, a characterization study of the interfacial interaction between different types of graphene nanoplatelets and an epoxy matrix is computationally performed. To quantify the discrete mutual graphene–epoxy “interfacial interact...

To make better use of fiber reinforced polymer composites in automotive applications, a clearer knowledge of its interfacial properties under dynamic and thermal loadings is necessary. In the present study, the interfacial behavior of glass fiber rei...

Gas hydrate systems display complex structural arrangements in their bulk and interfacial configurations. Controlling nucleation and growth in the context of potential applications requires a characterization of these structures such that they can be...

Non-metallic inclusions particles are detrimental to the mechanical properties of a material. It is very important to understand the motion behavior of inclusion particles in molten metal. The motion behavior of non-metallic inclusion particles durin...

Observing interfacial molecular adsorption and desorption dynamics in a label-free manner is fundamentally important for understanding spatiotemporal transports of matter and energy across interfaces. Here, we report a label-free real-time sensing te...

The utilization rate of reclaimed asphalt pavement is significantly low in the sustainable design process of asphalt roads. Numerous researchers have extensively investigated the recycling and utilization of reclaimed asphalt pavements from various p...

Janus nanorods are a special class of nanorods composed of two distinct surface regions, one hydrophilic and one hydrophobic. This amphiphilic characteristic makes them promising candidates for stabilizing water–oil interfaces. Oily wastewater...

We performed molecular dynamics (MD) simulations to study structure, stability, and dynamics of the water adsorption layer on muscovite mica at several temperatures (from 298 K to 673 K) and pressures (0.1 MPa, 10 MPa, and 50 MPa). We studied the str...

Polyglycerol polyricinolate (PGPR) and polyglycerol-2 dioleate were selected as model surfactants to construct water-in-oil (W/O) emulsions, and the effect of interfacial rheological properties of surfactant film on the stability of emulsions were in...

A combined experimental and molecular dynamic simulation approach was used to examine the structure and interfacial properties of solute-saturated micelles. The properties of dodecylbenzenesulfonate (DBS) micelles were examined in dodecane and benzen...

The dynamic characteristics of liquid with high viscosity impact on stagnant packing are investigated by a computational fluid dynamics (CFD) method. The three-dimensional model, employing the volume-of-fluid (VOF) approach, simulates the evolution o...

Carbon nanotubes (CNTs) are nanometer-sized structures that can be used to reinforce cement matrices. The extent to which the mechanical properties are improved depends on the interfacial characteristics of the resulting materials, that is, on the in...

In this paper, a molecular dynamics (MD) simulation model of carbon-fiber/pyrolytic-carbon (C_f/PyC) interphase in carbon/carbon (C/C) composites manufactured by the chemical vapor phase infiltration (CVI) process was established based on microscopic...

We have explored the impact of elevated growth and annealing temperatures on the local interfacial structure of thin Fe(12 nm)/Pt(10 nm) spintronic bilayers, epitaxially grown on MgO (100), and their correlation to magnetization reversal and dynamics...