Topological homogenization of metamaterial variability

With the proliferation of additive manufacturing and 3D printing technologies, a broader palette of material properties can be elicited from cellular solids, also known as metamaterials, architected foams, programmable materials, or lattice structures. Metamaterials are designed and optimized under the assumption of perfect geometry and a homogeneous underlying base material. Yet in practice real lattices contain thousands or even millions of complex features, each with imperfections in shape and material constituency. While the role of these defects on the mean properties of metamaterials has been well studied, little attention has been paid to the stochastic properties of metamaterials, a crucial next step for high reliability aerospace or biomedical applications. In this work we show that it is precisely the large quantity of features that serves to homogenize the heterogeneities of the individual features, thereby reducing the variability of the collective structure and achieving effective properties that can be even more consistent than the monolithic base material. In this first statistical study of additive lattice variability, a total of 239 strut-based lattices were mechanically tested for two pedagogical lattice topologies (body centered cubic and face centered cubic) at three different relative densities. The variability in yield strength and modulus was observed to exponentially decrease with feature count (to the power −0.5), a scaling trend that we show can be predicted using an analytic model or a finite element beam model. The latter provides an efficient pathway to extend the current concepts to arbitrary/complex geometries and loading scenarios. These results not only illustrate the homogenizing benefit of lattices, but also provide governing design principles that can be used to mitigate manufacturing inconsistencies via topological design.     

Study on ice-melting performance of gradient gas diffusion layer in proton exchange membrane fuel cell

In this study, a three-dimensional model was established using the lattice Boltzmann method (LBM) to study the internal ice melting process of the gas diffusion layer (GDL) of the proton exchange membrane fuel cell (PEMFC). The single-point second-order curved boundary condition was adopted. The effects of GDL carbon fiber number, growth slope of the number of carbon fibers and carbon fiber diameter on ice melting were studied. The results were revealed that the temperature in the middle and lower part of the gradient distribution GDL is significantly higher than that of the no-gradient GDL. With the increase of the growth slope of the number of carbon fiber, the temperature and melting rate gradually increase, and the position of the solid-liquid interface gradually decreases. The decrease in the number of carbon fibers has a similar effect as the increase in the growth slope of the number of carbon fibers. In addition, as the diameter of the carbon fiber increases, the position of the solid-liquid interface gradually decreases first and then increases.     

Effect of lattice structure evolution and stacking fault energy on the properties of Cu–ZrO2/GNP nanocomposites

A hybrid nanocomposite comprising nanosized ZrO₂ and graphene nanoplatelet (GNP)-reinforced Cu matrix was synthesised via powder metallurgy. The influence of sintering temperature and GNP content on the electrical and mechanical behaviour of the Cu–ZrO₂/GNP nanocomposite was investigated. The ZrO₂ concentration was fixed at 10% for all the composites. Upon increasing the GNP concentration up to 0.5%, a significant improvement was observed in the compressive strength, microhardness, and electrical conductivity of the composite. Furthermore, the properties were significantly improved by increasing the sintering temperature from 900 to 1000 °C. The compressive strength, hardness, and electrical conductivity of Cu–10%ZrO₂/0.5%GNP were higher than those of the Cu–ZrO₂ nanocomposite by 60, 21, and 23.8%, respectively. This improvement in the mechanical properties is because of the decrease in the crystallite size and dislocation spacing, which increases the dislocation density, thereby increasing the impedance towards dislocation movement. The lower stacking fault energy of the hybrid nanocomposites enables easier electron transfer within and between the Cu grains, resulting in an improved electrical conductivity. The enhancement in strength and electrical conductivity were aided by the GNPs and ZrO₂ nanoparticles that were dispersed widely in the Cu matrix.     

Revealing the dimensional stability mechanisms of SiC/Al composite under long-term thermal cycling

Long-term thermal cycling causes irreversible dimensional changes of the material, which in turn affects the reliability of precision instruments. In this paper, dimensional stability mechanisms of SiC/Al composites during thermal cycling were revealed using high-precision thermal dilatometer, XRD and spherical aberration correction transmission electron microscope (Cs-TEM). First, how the factors including dislocations, internal stress and precipitates affect the dimensional change of SiC/Al composites were separately introduced. Then, the integrated effect of these factors affecting the dimensional stability of SiC/Al composites was further discussed. Among them, the integrated effect of dislocation-internal stress in SiC/pure Al composites leads to an increase in dislocation density and average lattice constant, which leads to an increase in dimensional change. The integrated effect of dislocation-internal stress-precipitates in SiC/2024Al composites leads to a decrease in the average lattice constant and some changes in the precipitation behavior (including the type, density and lattice constant of the precipitates), which ultimately leads to a decrease in dimensional change. The dimensional change of the two types of composites was semi-quantitatively estimated. Finally, the reasons for the significantly higher dimensional stability of the SiC/2024Al composites were given.     

Thermophysical properties of (La0.25Sm0.25Gd0.25Yb0.25)2Ce2+xO7+2x(x=0.1, 0.2, and 0.3) high entropy oxides

A series of high-entropy oxides (La_0.25Sm_0.25Gd_0.25Yb_0.25)₂Ce_2+xO_7+2x were synthesised adopting a improved sol-gel technique and fritting method. The crystal-lattice, microstructure, elemental constitution, and thermal-physical performances were studied. The results showed that the synthesised high-entropy oxides have a single-fluorite lattice structure. The bulk specimen exhibits a compact microstructure, and clear grain boundaries. The thermal conductivities of the obtained high-entropy oxides are lower than those of CeO₂ and 7YSZ due to lattice strains and numerous oxygen vacancies. The obtained high-entropy oxides have greater thermal expansion coefficients than 7YSZ. The thermal conductivity and expansion coefficient are elevated because of the addition of excess CeO₂. The synthesised high-entropy oxides also exhibit outstanding lattice steadiness up to 1200 °C.     

Mechanical high-energy treatment of TiNi powder and phase changes after electrochemical hydrogenation

The paper presents the results obtained for the effect of ball milling of Ti–Ni powder, which is close in composition to the equiatomic one, on electrochemical hydrogenation. It is shown that the average size of the powder particles measured by BET and laser diffraction methods is found to reduce during milling, while the average size of the powder particles measured by SEM changes to attain its minimum within 30-s milling due to destruction and subsequent aggregation of particles. The powder in its initial state consists of a mixture of TiNi (austenite, martensite), Ti₂Ni, and TiNi₃ phases, and after ball milling, an X-ray amorphous phase is formed. The CDD size of the TiNi phase (austenite) reduces from 25 to 4 nm. It is found that the lattice parameters of the TiNi (austenite) and Ni₃Ti phases do not change during electrochemical hydrogenation, whereas the crystal lattice parameter of the Ti₂Ni phase increases, which indicates the predominant interaction of hydrogen with the Ti₂Ni phase. The lattice parameter of the Ti₂Ni based phase corresponds to Ti₂NiH_0.5 and Ti₂NiH_0.8 hydrides depending on the milling time and hydrogenation time. It is found that there is an “incubation period” of hydrogenation of the Ti₂Ni phase, which attains 90 min.     

Predicting hydrogen adsorption and desorption rates in cylindrical metal hydride beds: Empirical correlations and machine learning

A major limitation in chemisorptive hydrogen storage in metal hydrides is the long time required for the adsorption reaction during charging. This study investigates how the shape and material of the reaction chamber influences the adsorption and desorption rates. Numerical simulations of hydrogen storage in a cylindrical reaction chamber filled with LaNi₅ hydride are conducted for a range of chamber thermal conductivities and aspect ratios. The results show that adsorption and desorption processes are limited by thermal diffusion in the hydride bed and storage chamber. A storage efficiency is proposed based on an ideal isothermal process and used to evaluate the impact of chamber thermal conductivity and aspect ratio on the adsorption and desorption rates. Empirical correlations are proposed for predicting the adsorption and desorption efficiency of cylindrical LaNi₅ hydride beds. Finally, a machine-learning based data model for predicting storage efficiency in metal hydride chambers is presented. Comparison against the empirical correlations highlights that the machine learning-based data model can predict the storage efficiency more accurately.     

Effect of fiber orientation on Liquid–Gas flow in the gas diffusion layer of a polymer electrolyte membrane fuel cell

In this study, the lattice Boltzmann method was used to simulate the three-dimensional intrusion process of liquid water in the gas diffusion layer (GDL) of a polymer electrolyte membrane fuel cell (PEMFC). The GDL was reconstructed by the stochastic method and used to investigate fiber orientation's influence on liquid water transport in the GDL of a PEMFC. The fiber orientation can be described by the angle between a single fiber and the in-plane direction; three different samples were simulated for three different fiber orientation ranges. The simulated permeability correlated well with the anisotropic characteristics of reconstructed carbon papers. It was concluded that the fiber orientation had a significant effect on the liquid invasion pattern in the GDL by changing the pore shape and distribution of the GDL. The results indicated that the stochastically reconstructed GDL, taking into account the fiber orientation, better demonstrates the mass transport properties of the GDL.     

Williamson-Hall analysis in evaluation of lattice strain and the density of lattice dislocation for nanometer scaled ZnSe and ZnSe:Cu particles

Undoped and Cu-doped ZnSe nanoparticle (NPs) were prepared and grown hydrothermally in aqueous media assisted by microwave irradiation (MWIR) at different synthesis conditions of pH and MWIR times. In the mentioned process, sodium hydroxide (NaBH₄), used for preparing selenium ions source with dissolving it and selenium powder in deionized water. To investigate the structural aspects and nanoparticles morphology, X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used. According to the results of XRD, no displacement was seen in the position of XRD peaks of ZnSe nanoparticles by altering the pH and microwave irradiation time. XRD analysis demonstrated cubic zinc blende NPs and TEM images indicated round shape morphology of them. Depending to the microwave irradiation time, upon the XRD outputs, the size of the synthesized NPs were in the range of 1.54–2.18 nm. In this research, for samples synthesized at different pHs (= 8, 10.2, 11.2 and 12.2), at two microwave irradiation time of 0 and 6 min, and also at the presence of Cu-dopant (with the contents of 0, 0.1,0.75 and 1.5%), structural characteristics such as dislocation density(δ), lattice strain(ε), size of nanoparticles (D) and full width at half maximum (FWHM:β_hkl) have been evaluated upon the Scherrer and Williamson-Hall methods, in which undoped and ZnSe:Cu 0.1% synthesized at pH = 11.2 have the best crystalline quality; such results for the optimum samples, introduce them as promising materials in optoelectronic devices. The results of structural features obtained from Scherrer and Williamson-Hall approaches are highly intercorrelated and show the same trends with the variation of synthesis conditions.