Lattice Cell Research Articles

Physicochemical, morphological, and charge carrier mobility range dielectric evaluations of Yb-doped BaCo2 W-type hexagonal ferrites for high-frequency applications

Microwave absorption materials have attracted attention due to their extensive applications in different fields. Herein, ytterbium-doped BaCo2 W-type hexaferrite nanocrystallites with a nominal composition of BaCo2YbxFe16−xO27 (x = 0.00, 0.03, 0.06, 0.09, and 0.12) were synthesized via the sol–gel method, and their physicochemical and dielectric characteristics were estimated. XRD plots revealed the pure phase structure of each prepared hexaferrite sample. The lattice constant and unit cell volume were affected by changes in the Yb concentration. The crystallite size was measured by the Debye–Scherrer formula, revealing intense crystals typically in the 18–33 nm range. FTIR spectroscopy showed multiple absorption bands from 430 to 3000 cm−1, and Raman spectroscopy revealed multiple peaks between 200 and 1000 cm−1, displaying the allocated polyhedra and symmetry. XPS spectroscopy confirmed the existence of all metal ions in the required valence state. The dielectric measurements were evaluated at frequencies from 1 to 6 GHz for all the synthesized compositions, and the material behavior was explained using the Maxwell–Wagner and Koop theories. The conduction mechanism in the hexagonal ferrites was assessed using Cole–Cole analysis. Reflection loss measurements were also conducted: the samples at x = 0.03 and x = 0.12 yielded minimal reflection losses of −60.06 and −51.69 dB at 5.5 GHz, respectively. The results demonstrate the suitability of the samples for use in microwave and high-frequency absorption applications.

Effect of sample dimensions on the stiffness of PA12 Lattice materials fabricated using Powder Bed Fusion

Powder Bed Fusion fabrication techniques, including selective laser sintering, have made the fabrication of lattice meta-materials consisting of periodic cells formed by interconnected struts possible. It is generally observed that cell size has a strong influence on the lattice’s effective Young’s modulus, following in the case of typical polymers used for printing a trend of the smaller the softer. However, there is no clear understanding of the origin of the effective elastic modulus reduction with lattice cell size. In this paper, an integrated study is performed to unravel the reasons behind this effect. The analysis performed encompasses mechanical characterization (compression tests and nanoindentation), microstructure characterization (X-ray tomography, DSC, SAXS, and WAXS), and numerical analysis of the effect of defects (FFT and Finite element simulations of cells with roughness and defects) of PA12 printed single cells of different sizes and full lattice specimens containing many cells. It is found that the effect of porosity and roughness is not enough to explain the reduction of the effective elastic modulus with the cell size, suggesting that this effect is necessarily a combination of the defects, incomplete melting of particles and the changes of PA12 nanostructure induced by the different printing conditions as function of full specimen size . The results of the micro- and nanostructure characterization validate this assumption.

Topology Optimization Via Spatially-Varying TPMS.

Structural design with multi-family triply periodic minimal surfaces (TPMS) is a meaningful work that can combine the advantages of different types of TPMS. However, very few methods consider the influence of the blending of different TPMS on structural performance, and the manufacturability of final structure. Therefore, this work proposes a method to design manufacturable microstructures with topology optimization (TO) based on spatially-varying TPMS. In our method, different types of TPMS are simultaneously considered in the optimization to maximize the performance of designed microstructure. The geometric and mechanical properties of the unit cells generated with TPMS, that is minimal surface lattice cell (MSLC), are analyzed to obtain the performance of different types of TPMS. In the designed microstructure, MSLCs of different types are smoothly blended with an interpolation method. To analyze the influence of deformed MSLCs on the performance of the final structure, the blending blocks are introduced to describe the connection cases between different types of MSLCs. The mechanical properties of deformed MSLCs are analyzed and applied in TO process to reduce the influence of deformed MSLCs on the performance of final structure. The infill resolution of MSLC within a given design domain is determined according to the minimal printable wall thickness of MSLC and structural stiffness. Both numerical and physical experimental results demonstrate the effectiveness of the proposed method.

First-principles insights into the structural, mechanical, electronic, optical, and thermophysical properties of XSrBr3 (X = Na, Ga, and Tl) perovskites: Implications for optoelectronic applications

Non-toxic halide perovskite compounds possess critical inherent and improved features for use in optoelectronic devices. The present work summarizes the physical properties of cubic halide perovskites XSrBr3 (X = Na, Ga, and Tl) based on first-principles theory. The structural, electrical, optical, mechanical, and thermophysical properties of these compounds are studied to assess their potential utility in optoelectronics field. GGA-PBE and GGA-PBEsol functionals were utilized to determine the lattice properties, cell volumes, and formation energies of the compounds. The negative formation energies support the compounds' structural stability. The compounds' bandgaps were computed using the GGA-PBE and Hybrid-HSE06 functionals. Each of the three compounds has a wide indirect bandgap. Optoelectronic devices such as UV detectors, solar panel antireflection coatings, OLED, QLED, and waveguides benefit from a greater static dielectric constant, broad absorption spectra, and low visible reflectance. The elastic stiffness constants Cij use the necessary conditions to demonstrate that the NaSrBr3, GaSrBr3, and TlSrBr3 perovskite structures are mechanically stable. The elastic modulus and other trustworthy properties imply that perovskites are mechanically ductile and soft. In conclusion, the investigation indicates the potential applications of these perovskite materials in photovoltaic and optoelectronic technologies.

Mechanical characterization of lattice structures fabricated by selective laser melting via an image-based finite cell method with a damage model

Lattice structures fabricated by the selective laser melting (SLM) additive manufacturing process hold great potential for diverse applications. However, their actual mechanical behaviors often deviate from their counterparts with the as-designed geometries due to manufacturing defects. In this study, we presented an in-depth mechanical characterization of imperfect octet lattice structures via an image-based finite cell method (FCM) in combination with the multi-level hp refinement scheme for resolving the local defects and a Lemaitre damage model to conduct the damage analysis. Micro-computed tomography scanning was utilized to scan six SLM-fabricated octet lattice cells to obtain their as-built geometries. Based on the obtained geometry, the force-displacement curves and the damage distribution of the octet lattice cells and struts under given loads were predicted. The numerical results indicate that external defects significantly affect the struts' damage distribution, while internal voids have a lesser influence due to their low volume fraction. It is identified that the SLM-fabricated octet lattice cell presents better elastoplastic behavior along the loading direction perpendicular than parallel to its build direction. These insights into the mechanical performance of imperfect octet lattice cells underscore the defects' adverse effects and advance the understanding of their significance in SLM components.

Pressure effect on the structural, electronic, mechanical, optical and thermal properties of Ga2TiX6 (X = Cl, Br): A DFT simulation

The pressure effect on the physical properties of Ga2TiX6(X = Cl, Br) has been carried out through density function theory (DFT) accomplished via CASTEP guidelines. At ambient condition the structural aspects of Ga2TiX6(X = Cl, Br) show well accord with the previous theoretical data. A dramatically decrease of lattice constants, cell volumes and bond length with pressure is perceived. The negative enthalpy energy ensured the chemical formation of Ga2TiX6(X = Cl, Br). The positive stiffness constants (Cij) ensure the mechanical stability of Ga2TiX6(X = Cl, Br) at ambient and hydrostatic pressure. Moreover, the fundamental polycrystalline factors of phases Ga2TiX6(X = Cl, Br) such as bulk, shear and Young’s moduli, Poisson’s and Pugh’s fraction, machinability index as well as hardness of these materials have been calculated and discussed at ambient and hydrostatic pressure. Having very low values of bulk modulus (<100 GPa) they can be considered as soft materials. The increase of machinable index with pressure ensure the high lubricating properties, low friction, and high plastic strain of Ga2TiX6(X = Cl, Br) and also ensure their possible industrial applications. Band structure analysis ensure the semiconducting nature of Ga2TiX6(X = Cl, Br) at ambient condition but the semiconducting nature shift to metallic manner at 55 GPa and 65 Gpa respectively. The decrease of total density of states is observed at high pressure. The creation of new bond at high pressure is also observed in materials Ga2TiX6(X = Cl, Br). The investigated optical features ensured that the studied phases can be used in UV photodiodes, and UV light emitters since they revel intense peaks at UV region. Very low Debye temperature, melting temperature and thermal conductivity are observed at ambient condition which ensures that the compounds Ga2TiX6(X = Cl, Br) can be used as thermal barrier coating materials (TBC).

Revealing the superior rate performance and cycle stability of the La and F Co-doping LiFePO4/C

In this work, the La substitution of iron and replacing the oxygen with fluorine are both adopted to expectantly enhance the rate performance and structure stability of LiFePO4 during working. The characterizations of X-ray diffraction, scanning electron microscope, transmission electron microscope, charging-discharging tests, electrochemical impedance spectroscopy and safety tests are used to investigate the influences of La3+ and F− doping on the LiFePO4. The results indicate the cathodes after La3+ doping not only deliver the larger lattice parameters and unit cell volume to broaden the lithium ions migration pathway and accelerate the Li + diffusion speed, but also strengthen the whole bond energy of LiFePO4 owing to the high bond energy of La–O. In addition, the F replacement of O could increase the length of Li–O bonds and decrease the length of P–O bonds, further be helpful to enhance the Li + diffusion between LiFePO4 phase and FePO4 phase due to the weakening of Li–O bonds. Finally, the La3+ and F− co-doped cathode delivers the superior discharge capacity of 139.3 mAh g−1 at 5C high rate and 127.2 mAh g−1 at −20 °C, with the high discharging capacity of 160.1 mAh g−1 after 100 cycles at 45 °C.

Effect of annealing temperature and precipitation agent on the structure, optical and magnetic characteristics of dysprosium orthoferrite nanoparticles

Powders consisting of DyFeO3 nanoparticles were obtained by the co-precipitation method using two different precipitating agents (NaOH (SH) and (NH4)2CO3 (AC) solutions) and followed by annealing for 1 h at 850, and 950 °C. Properties of the synthesized samples were characterized by FT-IR, PXRD, BET, TEM, UV-Vis DRS, and VSM analyses. The obtained data revealed that both calcination temperature and precipitation agent had notable influence on the structural parameters and properties of the synthesized DyFeO3 nanoparticles. Increasing the calcination temperature led to the increase of structural characteristics such as average crystallite size (DScher, DW-H, DRietveld, nm), lattice cell volume (V, Å), and crystallite phase content as well as in properties such as band gap energy value (Eg, eV), coercivity (Hc, Oe), remanent magnetization (Mr, emu∙g−1), and net magnetization (Mn, emu∙g−1). Additionally, when comparing samples calcined at the same temperature, DyFeO3-AC exhibited higher structural, optical, and magnetic properties compared to DyFeO3-SH. Moreover, the DyFeO3 nanoparticles synthesized in this study exhibited lower band gap energy (1.87–1.93 eV), coercivity (0.018–0.023 Oe), and remanent magnetization (2.82∙10−6–3.87∙10−6 emu∙g−1) values, but larger net magnetization (2.43–2.62 emu∙g−1) when compared to RFeO3 perovskites synthesized by different methods (R = La, Y, Ho, Dy, Eu, Tb).

New exact solutions of the (3+1) dimensional Charney - Obukhov equation for the ocean in the case of “separation” of variables

Exact solutions describing Rossby waves and vortices in ocean propagating along the zonal direction at a constant velocity are considered for the (3 + 1) -dimensional nonlinear Charney – Obukhov equation. We give examples of solutions of the Charney-Obukhov equation that satisfy the nonlinear boundary conditions for the ocean, for a special case that corresponds to the “separation” of variables. The following example is considered: a lattice of vortices with 3D flow in lattice cells, the inclination of vortex cells in the meridional plane, and the dependence of the inclination angle on depth.

Predicting the electronic, optical, and thermometric properties of novel K2LiSbX6 (X = Cl, Br, I) semiconductors: A first-principles study

Due to their acceptable optical absorption efficiency, greater stability, adjustable bandgap, huge carrier mobility, non-toxicity, readily accessible raw materials, and low cost. The halide-based double perovskites (DPs) have demonstrated several advantages over halide-based perovskites. The Perdew-Burke-Ernzerhof (PBE) functional is used to compute the electrical, optical, mechanical, and thermal properties of halide-based DPs K2LiSbX6 (X = Cl, Br, I) in the Generalized Gradient approximation (GGA) framework of density functional theory (DFT). The objective of studying these materials is to compute the electronic, optical, and thermal properties, to use these materials in the solar cell and thermal applications. It is calculated what the structural parameters are, including the lattice parameter, cell volume, total energy, bulk modulus, pressure derivative, and tolerance factor. The compound’s semiconducting nature is revealed by the electrical density of states, and the band structure shows that the band gaps (3.7 eV, 2.9 eV, and 2.2 eV) are indirect in nature. To address the under-estimated band gap as found in the GGA-PBE functional, the mBJ functional is introduced. Electronic structures analysis and provide explanations for the actual and fictitious parts of the dielectric function ε (ω), absorption coefficient α(ω), energy loss function L(ω), reflectivity ℜ(ω), refractive index n (ω), and extinction coefficient K (ω) versus photon energy (eV). According to these criteria, Br, Cl, I-based materials are optically preferable to K-based compounds. Because of the above predicted outcomes, we conclude that these materials are good candidates for optoelectronics and thermal devices.

Influence of Zr4+-Co2+ substitution on structure, morphology and dielectric properties of BaZn2U-type hexaferrites

A series of Zr4+-Co2+ substituted U-type hexaferrites (Ba4Zn2Fe36-2xZrxCoxO60 (0.0 ≤ x ≤ 1.0, having Δx = 0.25)) were synthesized via sol-gel auto-combustion method. The samples were sintered at 1200 ° C for 6 h. The impact of Zr–Co substitution on phase, structure, morphology, and dielectric behavior were investigated through XRD, FTIR, SEM, XPS and VNA. XRD studies shows that the U-type hexaferrite phase has been developed and the increase in lattice constants (a & c), cell volume, c/a ratio, and percentage porosity was observed. Sample with x = 0.25 exhibited the smallest crystallite size (34.5 nm). The existence of signature metal-oxygen vibrational bands for hexaferrites was observed by FTIR spectra. SEM analysis reflects that the substitution produces a significant effect on morphology and grain size of the samples. X-ray photoelectron spectra (XPS) of sample x = 1.0 confirmed the chemical and elemental composition. The dielectric constant, dielectric loss, and ac conductivity increases with increasing frequency and decreases with Zr–Co substitution. The lowest reflection loss of RL = −64.5 dB (with MW absorption >99.9 %) was observed for the composition x = 0.5 with pellet thickness of 1.73 mm at 1.05 GHz frequency. Due to the improved bandwidth and better absorption, these hexaferrites can be used in microwave and high frequency applications.

Research on the energy absorption characteristics of lattice composite sandwich structural beams subjected to pure bending loads

This paper leverages the experiments and numerical simulations to investigate the flexural energy absorption characteristics and failure mechanisms of truss-type lattice composite sandwich structural beams filled with polyurethanes (PUs) under pure bending loads. The experimental outcomes unveil that PU-filled staggered lattice composite sandwich structural beams exhibit more favorable energy absorption capacities and specific energy absorption (SEA) characteristics when juxtaposed with parallel lattice composite sandwich structural beams and staggered lattice composite sandwich structural beams devoid of PUs. Subsequently, the energy absorption mechanisms of PU fillers in lattice structural beams are analyzed via the scanning electron microscope (SEM) from a microscopic perspective. The numerical simulation for the PU-filled staggered lattice composite sandwich structural beams proceeds with the finite element analysis software under the quasi-static four-point bending (FPB) load. The resulting findings are in fair alignment with the experimental results. The parametric analysis results demonstrate that skin thickness, side length augmentation of lattice reinforcement section, and width diminishment of lattice cells are instrumental to strengthening beams' ultimate flexural capacity and energy absorption. Simultaneously, the failure modes of beams undergo an alteration. Their SEA is solely subject to the side length of the lattice reinforcement section and the width of lattice elements.

Experiments on Criticality and Reactivity Worths in the FCA-XXII-1 Assembly Simulating Highly Enriched MOX Fueled Tight Lattice LWR Cores

A series of integral experiments were conducted at the fast critical assembly (FCA) of the Japan Atomic Energy Agency, simulating light water reactor cores with a tight lattice cell of highly enriched mixed-oxide (MOX) fuel containing >15% fissile plutonium (Pu). The three experimental configurations of the FCA-XXII-1 assembly were constructed using foamed polystyrene with different void fractions (45%, 65%, and 95%) to clarify the prediction accuracy of neutronics calculation codes and nuclear data libraries among various neutron spectra. The hydrogen-to–nuclear fuel atomic ratio varied from 0.1 to 0.8. The nuclear characteristics measured in the experiments were criticality (keff), moderator void reactivity worths, and sample reactivity worths using boron carbide (20%, 60%, and 90% 10B enrichment) and Pu (92%, 81%, and 75% fissile Pu ratio). Preliminary analyses on experiments were conducted using a deterministic calculation code system conventionally used for fast reactors and the Japanese evaluated nuclear data library of JENDL-4.0. The calculated keff values overestimated the experiments beyond the experimental uncertainties. However, most reactivity worth calculations agreed well with the experimental values. Even beyond the experimental uncertainties, discrepancies between the calculation and the experiment were <13%. Specifically in the reactivity worth analyses of the softer neutron spectra configurations, the treatment of ultrafine energy groups obviously improved the prediction accuracy of the deterministic calculations. Furthermore, reference calculations for criticality and large reactivity worths were performed with the Monte Carlo calculation code MVP3 by modeling the experimental configurations in detail, confirming that the deterministic calculations closely agreed with the reference values.

Easy manufacturing constraint based topology optimization of dual-scale and dual-constituent lattice metastructure with thermal dimensional stability

Thermal dimensional stability (TDS) is a crucial issue in the development of high-end industry equipment and precision instruments that work in fluctuating thermal environments. To endow meta-structures with high load-carrying capacity and TDS functionality simultaneously, this paper proposes a topology optimization framework to optimize the topologies of lattice meta-structures at macroscopic structural and microscopic material scales concurrently. An important feature of the current optimization model is the introduction of a material concentration distribution (MCD) constraint to reduce the number of dual-constituent interfaces (DIs), which enables the easy manufacturing of the optimized structures because an additional fabrication process is required for the connection of heterogeneous lattice members. Designs for two dual-scale TDS structures, potentially employed for satellite payload platforms and the supporting structure of space telescopes, are completed. Compared with mono-scale TDS structures, the dual-scale schemes exhibit superior structural performances due to the opening of the dual-scale design space. Numerical experiments are performed to validate the ultra-low structural thermal deformations of the optimized TDS structures with values of 0.0743 μm/℃ and 0.153 μm/℃. Furthermore, the imposition of the MCD constraint significantly reduces the number of DIs from 38 to 10 within a lattice cell, enabling the easy assembly of the demonstrative 3D printing dual-constituent samples.

Mixed Metal Amide-Hydride Solid Solutions for Potential Energy Storage Applications.

Mixed solid solutions have played an important role in improving the kinetics and performance of hydrogen storage materials, as reported for the Li-Mg-N-H, K-Mg-N-H, and Rb-Mg-N-H systems. Besides, the formation of a homogeneous solid solution, mostly due to partial ionic substitution, is known to be an effective approach to improve the ionic conductivity of a material, which is an important property in electrochemical applications. We have reported a series of solid solutions based on mixed amide-hydride materials of the Group 1 elements, e.g., K(NH2)xH1-x, Rb(NH2)xH1-x, and Cs(NH2)xH1-x, via the exchange of NH2-/H- anions with the change of the lattice cell of the solid solution. Extending the research in this direction, we study the M-N-H solid solution in the MNH2-MH systems (M = K, Rb, Cs, and their combinations), i.e., KNH2-RbH, RbNH2-KH, RbNH2-CsH, and CsNH2-RbH via ex situ/in situ XRD, IR, and 1H 2D solid-state NMR. The results obtained confirm the formation of mixed metal amide-hydride solid solutions associated with an exchange between both anionic (NH2- and H-) and cationic species (K+, Rb+, and Cs+). With this study, we aim to create an accessible library of M-N-H solid solutions for further studies as additives for hydrogen storage materials or ionic conductors.

Trigger waves in an oscillator loop and their applications in voltage‐controlled oscillation with high tuning gain

SummaryTrigger waves, propagating in a loop of a one‐dimensional lattice of tunnel‐diode (TD) oscillators, can be effectively applied to voltage‐controlled oscillation with high tuning gain. The lattice under investigation can generate both phase and trigger waves by varying the bias voltage to the TD. We demonstrate a voltage‐controlled oscillator (VCO) achieving high tuning gain through the utilization of rotating trigger waves. As the loop size decreases, the trigger wave becomes bound to itself or to adjacent waves. At this point, the excitation motion of the individual lattice cell is constrained by the global interaction caused by the trigger wave(s), leading to coherent behavior. Consequently, the bifurcation curve of the trigger wave seamlessly connects to that of the phase wave with changes in the TD bias voltage. Owing to the trigger wave's property of significantly increasing velocity with the TD bias voltage, a VCO with very high tuning gain can be developed, leveraging the seamless dependence of the oscillation frequency on the TD bias voltage.

Effects of void geometry on two-dimensional monolithic porous phononic crystals

Phononic crystals are renowned for their distinctive wave propagation characteristics, notably bandgaps that offer precise control over vibration phenomena, positioning them as a critical material in advanced vibro-elastic engineering and design. We investigate how pore shapes influence the bandgap in continuum two-dimensional phononic crystals made from a single material. Using the square lattice and unit cells with fourfold symmetry, our numerical analyses reveal that the normalized gap size is highly dependent on the minimum ligament width in the structure. Additionally, we find that fine geometric features represented by higher-order Fourier coefficients decrease the gap size. This study offers insight into the design of phononic crystals and vibro-elastic metamaterials for precise wave control through void patterning.

Plantar pressure distribution using personalised 3D printed lattice insoles with distributed stiffness

This work presents a proof-of-concept study on the use of additive manufacturing for developing customised lattice topology insoles, with the aim of redistributing plantar pressures. Four cubic lattice structures were applied to five sections of the moulded insole contours, which were based in 3D foot scans using Ansys material designer to predict material properties. The variation of the elastic modulus across the sections was controlled via the lattice cell structure volume ratio. The insole lattice structures were made from elastic photosensitive liquid resin resulting in flexible parts. A commercially available shoe was used to compare pressure distribution between the original and customised insole. Plantar pressure distribution and peak pressures were measured during standing, walking, and running. Pressure redistribution varied between insole conditions. During standing, the customised insole reduced peak pressure at the left heel, while the right foot experienced increased peak pressure compared to the control insole. Substantial peak pressure reduction was observed on the left foot during walking and running whilst the reduction was much less for the right foot. The study highlights the potential of additive manufacturing for cost-effective, accurate, and personalized insole production, offering material control and pressure redistribution benefits for various applications like injury prevention and rehabilitation.

Design and Additive Manufacturing of TPMS Heat Exchangers

Triply periodic minimal surface (TPMS) heat exchangers (HXs) have been investigated in this paper along with additive manufacturing (AM). Heat transfer coefficients, pressure drops, and thermal capacity were systematically evaluated as functions of wall thickness, lattice cell density, and materials. It turns out that when thermal conductivity is above 100 W/m·K, gyroid HXs are less sensitive to variations in thickness and thermal conductivity. Additive manufacturing of 20 kW aluminum heat exchangers was successful and testing results are comparable with theoretical prediction. To the best of our knowledge, this is the first demonstration of a working prototype of TPMS HXs.

A non-uniform lattice design method for lightweight structures in 3D printing

Lightweight design is an essential topic in aerospace, automotive and other fields. In automobile manufacturing, the engine connecting rod is one of the main components; its lightweight design has a high reference value. And 3D printing provides a feasible solution for designing and manufacturing lightweight structures. Unlike the traditional geometrically homogeneous point design, this study offers a non-homogeneous point design method based on the spatial stress state of additively manufactured components. After numerical simulation of quasi-static stresses on a model of an engine connecting rod, finite element grid cells with different stress values are replaced by lattice cells with different specific stiffnesses at similar local stress levels. The overall specific stiffness of the structure is further improved by continuing the optimized design with the corresponding gradient-type reinforcement of the non-uniform lattice structure. The basic idea of this design is to perform non-uniform adaptive filling of solid parts under localized loading by employing different types of unit cells. Stereolithography 3D printing technology prepares the engine lattice structural parts for quasi-static compression comparison experiments and fracture analysis after failure. The conclusions show that the engine connecting rod members with non-homogeneous lattice have more excellent overall mechanical properties than homogeneous lattice members. This work demonstrates the feasibility of such design methods for 3D printing lightweight structures and optimization.