Finite Element Study for Mass Sensitivity of Love Surface Acoustic Wave Sensor with Si3N4-SiO2 Double-Covered Waveguiding Layer.

Love surface acoustic wave (L-SAW) sensors are miniaturized, easy to integrate, and suitable for detection in liquid environments. In this paper, an L-SAW sensor with a thin Si3N4-SiO2 double-covered layer was proposed for samples with small mass loads. The output response, phase velocity of the acoustic wave, and the mass sensitivity were analyzed using the finite element method (FEM). The simulation results show that the Si3N4 layer with high wave velocity greatly weakens the limitation of SiO2 on the phase velocity. The phase velocity can reach about 4300 m/s, which can increase the frequency shift when the same mass load is applied. Within a certain range, the mass sensitivity of the sensor is enhanced with the increase in the total thickness of the waveguiding layer and the thickness ratio of Si3N4 in the double-covered layer. When the thickness ratio is 1:2, the peak value of the mass sensitivity of the sensor is approximately 50% higher than that achieved with only the SiO2 waveguiding layer. The surface average stress of the delay line region follows the same trend as the mass sensitivity. The increase in mass sensitivity is the result of the heightened stress on the sensor surface. This L-SAW sensor, featuring a double-covered waveguiding layer, demonstrates high sensitivity and a simple structure. The simulation results lay a foundation for the design and manufacture of SAW sensors.

Transient viscoelastic heating characteristics of polyethene under high frequency hammering during ultrasonic plasticizing.

As a polymer molding technology developed in recent years, ultrasonic plasticizing micro-injection molding has great advantages in the manufacture of micro-nano parts by virtue of low energy consumption, less material waste and reduced filling resistance. However, the process and mechanism of transient viscoelastic heating for polymers under ultrasonic high-frequency hammering are unclear. The innovation of this research is that a combination of experiment and MD (molecular dynamics) simulation was adopted to study the transient viscoelastic thermal effect and microscopic behavior of polymers with different process parameters. To be more specific, a simplified heat generation model was first established and high-speed infrared thermal imaging equipment was applied to collect temperature data. Then, a single factor experiment was conducted to investigate the heat generation of a polymer rod with various process parameters (plasticizing pressure, ultrasonic amplitude and ultrasonic frequency). Finally, the thermal behavior during the experiment was supplemented and explained by MD simulation. The results showed that changes in ultrasonic process parameters produce different forms of heat generation, and there are three forms of heat generation, which are dominant heat generation at the ultrasonic sonotrode head end, dominant heat generation at the plunger end, and simultaneous heat generation at the ultrasonic sonotrode head end and the plunger end.

Effects of Fumed Silica on Thixotropic Behavior and Processing Window by UV-Assisted Direct Ink Writing.

In this research, the effects of fumed silica (FS) on the Ultraviolet (UV)-ink rheological behavior and processing windows were discussed. Objects using different concentrations of FS inks were printed by the modified UV-Direct ink writing (DIW) printer. The function of fumed silica in the ink-based system has been verified, and the processing scope has been expended with a suitable amount of FS combined with the UV light. The results show that the combination of a suitable amount of FS with the UV-DIW system reaches fast and accurate printing with a larger processing window compared to the non-UV system. However, an excessively high concentration of FS will increase the yield stress of the ink, which also increases the requirement of extrusion unit and the die-swelling effects.

Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection Molding.

Wall slip directly affects the molding quality of plastic parts by influencing the stability of the filling flow field during micro injection molding. The accurate modeling of wall slip in nanochannels has been a great challenge for pseudoplastic polymer melts. Here, an effective modeling method for polymer melt flow in nanochannels based on united-atom molecular dynamics simulations is presented. The effects of driving forces and wall-fluid interactions on the behavior of polyethylene melt under Poiseuille flow conditions were investigated by characterizing the slip velocity, dynamics information of the flow process, and spatial configuration parameters of molecular chains. The results indicated that the united-atom molecular dynamics model could better describe the pseudoplastic behavior in nanochannels than the commonly used finitely extensible nonlinear elastic (FENE) model. It was found that the slip velocity could be increased with increasing driving force and show completely opposite variation trends under different orders of magnitude of the wall-fluid interactions. The influence mechanism was interpreted by the density distribution and molecular chain structure parameters, including disentanglement and orientation, which also coincides with the change in the radius of gyration.

Tri-Channel Electrochemical Immunobiosensor for Combined Detections of Multiple Exosome Biomarkers of Lung Cancer.

Current methods for the early diagnosis of cancer can be invasive and costly. In recent years, exosomes have been recognized as potential biomarkers for cancer diagnostics. The common methods for quantitative detection of exosomes, such as nanoparticle tracking analysis (NTA) and flow cytometry, rely on large-scale instruments and complex operation, with results not specific for cancer. Herein, we present a tri-channel electrochemical immunobiosensor for enzyme-free and label-free detecting carcino-embryonic antigen (CEA), neuron-specific enolase (NSE), and cytokeratin 19 fragments (Cyfra21-1) from exosomes for specific early diagnosis of lung cancer. The electrochemical immunobiosensor showed good selectivity and stability. Under optimum experimental conditions, the linear ranges were from 10-3 to 10 ng/mL for CEA, 10-4 to 102 ng/mL for NSE, and 10-3 to 102 ng/mL for Cyfra21-1, and a detection limit down to 10-4 ng/mL was achieved. Furthermore, we performed exosome analysis in three kinds of lung cancer. The results showed a distinct expression level of exosomal markers in different types. These works provide insight into a promising alternative for the quantification of exosomal markers in specific diseases in the following clinical bioassays.

Investigation of Solvent-Assisted In-Mold Bonding of Cyclic Olefin Copolymer (COC) Microfluidic Chips.

The bonding of microfluidic chips is an essential process to enclose microchannels or microchambers in a lab-on-a-chip. In order to improve the bonding quality while reducing the fabrication time, a solvent-assisted bonding strategy was proposed to seal the microchannels immediately after the cover sheet and substrate chip was injection molded in a single mold. Proper organic solvents were selected and the influences of solvent ratios on the surface roughness, microchannel morphology, and contact angle of microfluidic chips were investigated. When the solvent bonding was integrated in the mold, the influences of solvent volume fraction, solvent dosage, bonding pressure, and bonding time on the bonding quality were analyzed. Results show that the solvent cyclohexane needs to be mixed with isopropanol to reduce the dissolution effect. Solvent treatment is suggested to be performed on the cover sheet with a cyclohexane volume fraction of 70% and a dose of 1.5 mL, a bonding pressure of 2 MPa, and a bonding time of 240 s. The bonding strength reaches 913 kPa with the optimized parameters, while the microchannel deformation was controlled below 8%.

Polymer-Metal Interfacial Friction Characteristics under Ultrasonic Plasticizing Conditions: A United-Atom Molecular Dynamics Study.

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 investigated using united-atom molecular dynamics in this study, which is under the boundary conditions of single sliding friction (SSF) and reciprocating sliding friction (RSF). It reflects the polymer-metal interaction under the conditions of initial compaction and ultrasonic vibration, so that the heat generation mechanism of ultrasonic plasticization microinjection molding (UPMIM) is explored. The contact mechanics, polymer segment rearrangement, and frictional energy transfer features of polymer-metal interface friction are investigated. The results reveal that, in both SSF and RSF modes, the sliding rate has a considerable impact on the dynamic response of the interfacial friction force, where the amplitude has a response time of about 0.6 ns to the friction. The high frequency movement of the polymer segment caused by dynamic interfacial friction may result in the formation of a new coupled interface. Frictional energy transfer is mainly characterized by dihedral and kinetic energy transitions in polymer chains. Our findings also show that the ultrasonic amplitude has a greater impact on polymer-metal interfacial friction heating than the frequency, as much as it does under ultrasonic plasticizing circumstances on the homogeneous polymer-polymer interface. Even if there are differences in thermophysical properties at the heterointerface, transient heating will still cause heat accumulation at the interface with a temperature difference of around 35 K.

Concentration of Microparticles Using Flexural Acoustic Wave in Sessile Droplets.

Acoustic manipulation of microparticles and cells has attracted growing interest in biomedical applications. In particular, the use of acoustic waves to concentrate particles plays an important role in enhancing the detection process by biosensors. Here, we demonstrated microparticle concentration within sessile droplets placed on the hydrophobic surface using the flexural wave. The design benefits from streaming flow induced by the Lamb wave propagated in the glass waveguide to manipulate particles in the droplets. Microparticles will be concentrated at the central area of the droplet adhesion plane based on the balance among the streaming drag force, gravity, and buoyancy at the operating frequency. We experimentally demonstrated the concentration of particles of various sizes and tumor cells. Using numerical simulation, we predicted the acoustic pressure and streaming flow pattern within the droplet and characterized the underlying physical mechanisms for particle motion. The design is more suitable for micron-sized particle preparation, and it can be valuable for various biological, chemical, and medical applications.

Rapid Enrichment of Submicron Particles within a Spinning Droplet Driven by a Unidirectional Acoustic Transducer.

Efficient and rapid particle enrichment at the submicron scale is essential for research in biomedicine and biochemistry. Here, we demonstrate an acoustofluidic method for submicron particle enrichment within a spinning droplet driven by a unidirectional transducer. The unidirectional transducer generates intense sound energy with relatively low attenuation. Droplets placed offset in the wave propagation path on a polydimethylsiloxane film undergo strong pressure gradients, deforming into an ellipsoid shape and spinning at high speed. Benefitting from the drag force induced by the droplet spin and acoustic streaming and the radial force induced by the droplet compression and expansion, the submicron particles in the liquid droplet quickly enrich toward the central area following a spiral trajectory. Through numerical calculations and experimental processes, we have demonstrated the possible mechanism responsible for particle enrichment. The application of biological sample processing has also been exploited. This study anticipates that the strategy based on the spinning droplet and particle enrichment method will be highly desirable for many applications.

Experimental Investigation and Molecular Dynamics Simulation on the Anti-Adhesion Behavior of Alkanethiols on Nickel Insert in Micro Injection Molding.

Due to the adhesion between the polymer melt and nickel (Ni) mold insert in the micro injection molding process, deformation defects frequently occur when the microstructures are demolded from the insert. In this study, self-assembled alkanethiols were applied to modify the surface of Ni mold insert to reduce its surface energy. Experimental trials were undertaken to explore the effect of alkanethiols coating on the replication quality. After that, molecular dynamics (MD) simulation was then used to investigate the adhesion behavior between the self-assembled coating and polypropylene (PP) by establishing three different types of alkanethiol material. The interaction energy, the potential energy change and radial distribution function were calculated to study the anti-adhesion mechanism. Experimental results show that all the three coatings can effectively decrease the adhesion and therefore promote the replication fidelity. It is demonstrated in MD simulation that the adhesion mainly comes from the van der Waals (vdW) force at the interface. The arrangement of sulfur atom on the Ni surface results in different absorbing behaviors. Compared with that of the PP-Ni interface, the interfacial energy and adhesion work after surface treatment is significantly reduced.

Self-Assembled Monolayers of Alkanethiols on Nickel Insert: Characterization of Friction and Analysis on Demolding Quality in Microinjection Molding.

When the part geometry scaling down from macro to microscale level, the size-induced surface effect becomes significant in the injection molding process. The adhesion between polymer and nickel (Ni) mold insert during the process can lead to defects in necking, warping and deformation of microstructure. In this study, the self-assembled monolayers (SAMs) with low surface energy were deposited on the Ni surface to reduce the adhesion and further improve the demolding quality of the microstructure. Results show that the alkyl mercaptan SAMs with chemical bonds and close alignment can be successfully deposited on the surface of Ni by the solution deposition method. The contact angle, surface free energy, and friction coefficient before and after anti-adhesion treatment on the surface of mold insert were measured. In addition, the anti-adhesion properties of different alkyl mercaptan materials and the correspondingly replication quality of microstructure parts after injection molding were analyzed. It is found that the Ni mold insert treated by the perfluorodecanethiol has the best wear resistance and still shows good reproducibility at the 100th demolding cycle.

An Investigation of Flow Patterns and Mixing Characteristics in a Cross-Shaped Micromixer within the Laminar Regime.

A fast mixing is critical for subsequent practical development of microfluidic devices, which are often used for assays in the detection of reagents and samples. The present work sets up computational fluid dynamics simulations to explore the flow characteristic and mixing mechanism of fluids in cross-shaped mixers within the laminar regime. First, the effects of increasing an operating parameter on local mixing quality along the microchannels are investigated. It is found that sufficient diffusion cannot occur even though the concentration gradient is large at a high Reynolds number. Meanwhile, a method for calculating local mixing efficiency is also characterized. The mixing efficiency varies exponentially with the flow distance. Second, in order to optimize the cross-shaped mixer, the effects of design parameters, namely aspect ratio, mixing angle and blockage, on mixing quality are captured and the visualization of velocity and concentration distribution are demonstrated. The results show that the aspect ratio and the blockage play an important role in accelerating the mixing process. They can improve the mixing efficiency by increasing the mass transfer area and enhancing the chaotic advection, respectively. In contrast, the inflow angle that affects dispersion length is not an effective parameter. Besides, the surface roughness, which makes the disturbance of fluid flow by roughness more obvious, is considered. Three types of rough elements bring benefits for enhancing mixing quality due to the convection induced by the lateral velocity.

Influence of Diamond-Like Carbon Coating on the Channel Deformation of Injection-Molded Microfluidic Chips during the Demolding Process.

Injection molding is one of the main techniques for manufacturing microfluidic chips. As an important stage, the demolding process in injection molding will directly affect the quality of the functional unit of microfluidic chips (polymer microchannels), thus limiting the realization of its functions. In this study, molecular dynamics (MD) simulations on the demolding process were carried out to investigate the influence of diamond-like carbon (DLC) coating on the channel deformation. The channel qualities of polystyrene (PS), polymethyl methacrylate (PMMA), cyclic olefin copolymer (COC) and polycarbonate (PC) were analyzed after demolding with nickel (Ni) and DLC-coated mold inserts, respectively. In particular, the non-bonded interfacial interaction energy, elastic recovery and gyration radius of polymer molecular chains were further studied. The results showed that the non-bonded interfacial interaction energies could be significantly reduced by DLC-coating treatment on the mold insert. Moreover, common channel defects such as molecular chain separation, surface burrs and necking did not occur. The treatment of DLC coating could also significantly reduce the change in the gyration radius of polymer molecular chains, so the morphology of the polymer channel could be maintained well. However, the change in the elastic recovery of the polymer channel was increased, and the opening width became larger. In a word, DLC-coating treatment on the mold insert has great application potential for improving the demolding quality of injection-molded microfluidic chips.

Atomistic Investigation on the Wetting Behavior and Interfacial Joining of Polymer-Metal Interface.

Polymer-metal hybrid structures can reduce the weight of components while ensuring the structural strength, which in turn save cost and subsequently fuel consumption. The interface strength of polymer-metal hybrid structure is mainly determined by the synergistic effects of interfacial interaction and mechanical interlocking. In this study, the wetting behavior of polypropylene (PP) melt on metal surface was studied by molecular dynamics simulation. Atomistic models with smooth surface and nano-column arrays on Al substrate were constructed. Influences of melt temperature, surface roughness and metal material on the wetting behavior and interfacial joining were analyzed. Afterwards the separation process of injection-molded PP-metal hybrid structure was simulated to analyze joining strength. Results show that the initially sphere-like PP model gradually collapses in the wetting simulation. With a higher temperature, it is easier for molecule chains to spread along the surface. For substrate with rough surface, high density is observed at the bottom or on the upper surface of the column. The contact state is transitioning from Wenzel state to Cassie-Baxter state with the decrease of void fraction. The inner force of injection-molded PP-Fe hybrid structure during the separation process is obviously higher, demonstrating a greater joining strength.

Formation Mechanism of Residual Stresses in Micro-Injection Molding of PMMA: A Molecular Dynamics Simulation.

Injection molding is an economical and effective method for manufacturing polymer parts with nanostructures and residual stress in the parts is an important factor affecting the quality of molding. In this paper, taking the injection molding of polymethyl methacrylate (PMMA) polymer in a nano-cavity with an aspect ratio of 2.0 as an example, the formation mechanism of residual stresses in the injection molding process was studied, using a molecular dynamics simulation. The changes in dynamic stress in the process were compared and analyzed, and the morphological and structural evolution of molecular chains in the process of flow were observed and explained. The effects of different aspect ratios of nano-cavities on the stress distribution and deformation in the nanostructures were studied. The potential energy, radius of gyration and elastic recovery percentage of the polymer was calculated. The results showed that the essence of stress formation was that the molecular chains compressed and entangled under the flow pressure and the restriction of the cavity wall. In addition, the orientation of molecular chains changed from isotropic to anisotropic, resulting in the stress concentration. At the same time, with the increase in aspect ratio, the overall stress and deformation of the nanostructures after demolding also increased.

Molecular Dynamics Simulation on the Interfacial Behavior of Over-molded Hybrid Fiber Reinforced Thermoplastic Composites.

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 continuous fiber reinforced thermoplastics by over-molding techniques. The key issue during this process is to get a reliable interfacial bonding strength. To understand the bonding mechanism at the heterogeneous interface of hybrid thermoplastic composites which is difficult to obtain through experimental investigations, a series of molecular dynamic (MD) simulations were conducted in this paper. The influence of processing parameters on the interfacial characteristics, i.e., the distribution of interfacial high-density enrichment areas, radius of gyration, diffusion coefficient and interfacial energy, were investigated during the forming process of a heterogeneous interface. Simulation results reveal that some of molecule chains get across the interface and tangle with the molecules from the other layer, resulting in the penetration phenomenon near the interface zone. In addition, the melting temperature and injection pressure exhibit positive effects on the interfacial properties of hybrid composites. To further investigate the interfacial bonding strength and fracture mechanism of the heterogeneous interface, the uniaxial tensile and sliding simulations were performed. Results show that the non-bonded interaction energy plays a crucial role during the fracture process of heterogeneous interface. Meanwhile, the failure mode of the heterogeneous interface was demonstrated to evolve with the processing parameters.

Molecular Dynamics Simulations on the Demolding Process for Nanostructures in Injection Molding.

Injection molding is one of the most potential techniques for fabricating polymeric products in large numbers. The filling process, but also the demolding process, influence the quality of injection-molded nanostructures. In this study, nano-cavities with different depth-to-width ratios (D/W) were built and molecular dynamics simulations on the demolding process were conducted. Conformation change and density distribution were analyzed. Interfacial adhesion was utilized to investigate the interaction mechanism between polypropylene (PP) and nickel mold insert. The results show that the separation would first happen at the shoulder of the nanostructures. Nanostructures and the whole PP layer are both stretched, resulting in a sharp decrease in average density after demolding. The largest increase in the radius of gyration and lowest velocity can be observed in 3:1 nanostructure during the separation. Deformation on nanostructure occurs, but nevertheless the whole structure is still in good shape. The adhesion energy gets higher with the increase of D/W. The demolding force increases quickly to the peak point and then gradually decreases to zero. The majority of the force comes from the adhesion and friction on the nanostructure due to the interfacial interaction.

Molecular Dynamics Simulation on the Effect of Bonding Pressure on Thermal Bonding of Polymer Microfluidic Chip.

Thermal bonding technology is the most commonly used approach in bonding injection-molded microfluidic chips. Although the bonding mechanism is still under debate, the molecular dynamics (MD) method can provide insight into the bonding process on a macromolecular level. In this study, MD simulations for thermal bonding of PMMA substrate and cover sheet were performed. The molecule configuration and density distribution during the thermal bonding process were studied. The effects of bonding pressure on the equivalent strain, joining energy and diffusion coefficient were investigated. The debonding process was simulated to analyze the bonding strength and failure mechanism. Simulation results show that penetration mainly takes place near the interface area. Although the final density increases slightly with increasing pressure, the bonding interface is still insufficiently filled. The equivalent strain grows faster than that in the later stage because of the gap at the interface. The bonding pressure shows clear effects on the joining energy, diffusion coefficient and stress⁻strain behavior. Tensile failure occurs at the interface, with PMMA chains stretched between two layers. The majority of the change in potential energy is correlated with the change in non-bonded energy. At yield strain, the low-density defect at the interface weakens the tensile strength of bonded chip.

A positively charged tight UF membrane and its properties for removing trace metal cations via electrostatic repulsion mechanism.

The development of highly efficient membranes technology using low-pressure driven filtration process, is one of the principal challenges in the wastewater treatment field, especially those aimed at the removal of trace heavy metals. In this work, a novel positively charged tight ultrafiltration (PCTUF) membrane was developed to remove heavy metal cations (Mn2+, Co2+, Ni2+, Zn2+ and Cd2+) from contaminated waters via electrostatic repulsion mechanism. The PCTUF membrane was fabricated from a new polymer with poly (vinyl chloride co dimethylaminoethyl methacrylate), P (VC-co-DMA) via a nonsolvent induce phase separation (NIPS) process and following facile surface quaternization. The quaternization conditions, the pore structures and chemical properties of the membranes were investigated in detail. The optimally quaternized membrane possessed a positively charged surface and 3.27 nm charged channel with the water permeability of 84 L m-2 h-1 bar-1. The rejections of heavy metal cations surpassed 95% for feed solutions containing 10 ppm heavy metal. Moreover, the influences of feed concentrations and the operating condition with pressure and pH on the membrane performances were also investigated. The results revealed that the prepared PCTUF membrane with its high perm-selectivity performance provides a worthy reference for highly efficient removal of heavy metal cations.

Alginate hydrogel beads as a carrier of low density lipoprotein/pectin nanogels for potential oral delivery applications.

Alginate hydrogel beads have been extensively investigated as drug delivery systems due to promising gastric environment stability. In the present study, alginate hydrogel beads were prepared with Ca2+ or Fe3+ to serve as the loading vehicles for egg yolk low density lipoprotein (LDL)/pectin nanogels. Scanning electron microscope was carried out to confirm the successful incorporation of nanogels into the beads. The FT-IR spectra and swelling ratio analyses proved that incorporation of nanogels did not affect the physicochemical properties of the hydrogel beads. The developed hydrogel beads exhibited pH dependent release of curcumin pre-encapsulated in nanogels, with significant retention of curcumin in gastric condition compared to curcumin encapsulated in nanogels or alginate beads alone. Hydrogel beads prepared with low viscous alginate and Ca2+ showed limited swelling property and more sustained release of curcumin in simulated gastrointestinal conditions, compared to the beads prepared with high viscous alginate and Fe3+. Gradual dissociation of nanogels from the beads during incubation in simulated intestinal fluid was studied with transmission electron microscope. Our study demonstrated the promising potential of alginate beads as a carrier to protect LDL-based nanogels from destabilization in gastric condition, thus expanding their applications as oral delivery system.