Molecular simulation study of the adhesion work for water droplets on water monolayer at room temperature

The wetting phenomenon of water droplets coexisting with the ordered water monolayer termed an unexpected phenomenon of“water that does not wet a water monolayer”at room temperature has been found on several solid surfaces.Although the hydrogen bond saturation inside the monolayer can qualitatively describe this phenomenon,whether the Young-Dupre equation still holds under this unconventional wetting framework is still not answered.In this work,we have´calculated the contact angle values of the droplets as well as the work of adhesion between the droplets and the monolayer based on an extended phantom-wall method.The results show that similar to the conventional solid-liquid interface,classical Young-Dupre equation is also applicable for the interface of liquid water and ordered water monolayer.

The Influence of Al on the Surface Properties of the Hot-dip Galvanized Melt

Wettability of Zn-Al alloy melt on the pure iron substrate at 450℃was studied.The effect of Al content(Zn,Zn-1Al,Zn-2Al,Zn-3Al,Zn-4Al,and Zn-5Al)on the wetting behavior and interfacial reaction was investigated by high-temperature contact angle measuring device and scanning electron microscope(SEM).The results show that,with the increase of Al content,the initial contact angle of the molten alloy on the substrate decreases gradually and the wettability increases gradually.Compared with the initial contact angle,the final contact angle is slightly reduced,because the Fe-Al inhibition layer is preferentially formed at the interface when adding Al to the alloy.The presence of Al will promote the occurrence of the reactive wetting,leading to an insignificant wetting spreading process,and the final contact angle negligibly differs from the initial contact angle.The adhesion work and charge density distributions of interface systems were calculated based on the first-principles.The results show that the adhesion work of the Fe/Zn and Fe/(Zn-Al)interface model is 2.0171 J/m^(2)and 13.7944 J/m^(2),respectively.The addition of Al greatly increases the adhesion work between alloy melt and iron substrate.Compared with the Zn-Fe and Al-Fe interface models,it can be seen that a significant charge migration phenomenon occurs between the interfaces.The amount of charge migration in the Al-Fe interface model is much larger than that in the Zn-Fe interface model,indicating that the bonding between Al-Fe atoms can occur more easily and the interaction between Al-Fe interfaces is stronger.This is also the reason why the addition of Al increases the adhesion work between interfaces.

Adhesion-governed buckling of thin-film electronics on soft tissues

Stretchable/flexible electronics has attracted great interest and attention due to its potentially broad applications in bio-compatible systems. One class of these ultra-thin electronic systems has found promising and important utilities in bio-integrated monitoring and therapeutic devices. These devices can conform to the surfaces of soft bio-tissues such as the epidermis, the epicardium, and the brain to provide portable healthcare functionalities. Upon contractions of the soft tissues, the electronics undergoes compression and buckles into various modes, depending on the stiffness of the tissue and the strength of the interfacial adhesion. These buckling modes result in different kinds of interfacial delamination and shapes of the deformed electronics, which are very important to the proper functioning of the bio- electronic devices. In this paper, detailed buckling mechanics of these thin-film electronics on elastomeric substrates is studied. The analytical results, validated by experiments, provide a very convenient tool for predicting peak strain in the electronics and the intactness of the interface under various conditions.

Comparative Case Study on Adhesion of Three Common Sizing Agents to Cotton and Polyester Yarns

The adhesion between warp sizing and fiber was systematically studied by using the roving method.Cotton roving and polyester roving were sized with various concentrations between 0.01%and 2.50%of acid-thinned starch,polyvinyl alcohol and water-soluble polyester sizing,respectively,and tensile property of the sized roving was tested accordingly.The break force of the sized roving was considered as the adhesion force of the sizing to the fiber in the roving method.The experimental results show that the effects of sizing film strength and fiber strength on the adhesive force can be weakened when the concentration 0.5%of size paste is used,instead of 1%in the roving method.The size morphology in the sized roving and on the surface was observed through scanning electron microscopy,in the form of penetration and coverage of the sizing in or on the roving.On the other hand,the Young-Dupréequation was used to calculate the adhesion work.The advantages and disadvantages of roving method and the adhesion work method were compared.The adhesion obtained by both two methods reflects the rule of chemical similarity between warp sizing and fiber.

A First-principles Study on the Adhesion Strength,Interfacial Stability,and Electronic Properties of Mg/Mg_(2)Y Interface

The interfacial microstructures and configurations directly affect the comprehensive properties of the composites,but their interfacial adhesion mechanism is complicated to expound by experimental methods.In this work,based on the stacking sequence of the Mg/Mg_(2)Y interface models,nine different Mg/Mg_(2)Y interface configurations with top site,bridge site,and hollow site(HCP)under Mg1,Mg_(2),and Y terminations were successfully constructed and systematically explored by first-principles calculations.The results showed that the Mg_(2)Y(0001)surface with Y termination is the most stable when the yttrium chemical potential()is less than-1.09 eV;otherwise,Mg_(2)Y(0001)surface with Mg1 termination is the most stable.The seven-layer Mg(0001)and eleven-layer Mg_(2)Y(0001)slabs are employed to reflect the bulk-like interior properties.Additionally,the Mg(0001)/Mg_(2)Y(0001)with the Y-HCP stacking has the largest interface thermodynamic stability with the value of 2.383 J/m^(2) in all interface configurations owing to its largest work of adhesion.In addition,the interfacial energy of Y-HCP stacking is significantly smaller than those of Mg1-HCP when is approximately less than-0.55 eV,showing that it is more stable.The thermodynamic stability of Mg/Mg_(2)Y with Y-HCP is due to Mg-Y chemical bonds formed between Mg and Y atoms.Lastly,the Mg/Mg_(2)Y interfaces are strong interfaces based on the Griffith fracture theory.

First principles application for mechanical properties of Ti-doped W particles enhanced U matrix composite

The stability, bonding, work of adhesion and electronic structure of the U/W interface with and without Ti were investigated by first principles to explore the me- chanical properties of W particles enhanced U-Ti alloy matrix composite as a construction material. The calculated results indicate that the preferable orientation of the U/W interfacial structure is （001）U/（110）w crystallographic plane, Ti atoms originating from U slab are prone to diffuse into W slab through the interface, and additional Ti in U matrix is the stronger adhesion to W, with an ideal work of adhesion of 6.93 J.m-2 for U-Ti/W interface, relative to the value of 6.72 J.m-2 for clean U/W interface. The stronger adhesion performance is due to the increase in valence electron hybridization for U-Ti/W compared with U/W interface, as evidenced by the characteristic of the local density of states for the interfacial atoms.