Bulk Modulus Research Articles

Cement-based and alkali-activated controlled low-strength materials made from cup lump rubber for use as road materials

This research explores the use of cup lump rubber (CLR), an agricultural by-product, as a component in controlled low-strength material (CLSM) for pavement applications in road construction. Two distinct CLSM mixtures were developed: one based on cement and the other on alkali activation. The study evaluated the workability, mechanical properties, and microstructures of both CLSM formulations. Key fresh properties, including slump flow, setting time, and bleeding, were analysed to assess their impact on the self-compaction process. Mechanical characteristics such as unconfined compressive strength, resilient modulus, and wave velocities were also measured. Some CLSM mixtures, both cement-based and alkali-activated, were found to meet the requirements for soil cement bases and subbases. Notably, the resilient modulus values showed significant improvement after 28 days, with certain mixtures achieving subbase-quality gravel standards. The study concludes by recommending the use of both cement-based and alkali-activated CLSMs in pavement design, highlighting their potential to enhance the field of pavement engineering.

Validation of a three-dimensional finite element constitutive modeling approach for a thermoplastic polyurethane calibrated with uniaxial tests

This paper presents the three-dimensional finite element constitutive modeling validation for a Thermoplastic Poly-Urethane (TPU) material. The material parameters are those given in a previous study obtained by calibrating the constitutive model with uniaxial material-level test results (1-D tensile and compression tests). Confined compression tests were performed to estimate the bulk modulus for more accurate material characterization. The parameters were validated by comparing the results of experimental tests on TPU components with those obtained by its equivalent finite element simulations. The TPU component tests comprised cyclic compression tests of (i) a TPU cylinder, (ii) a solid 100 mm diameter TPU ball, and (iii) a 100 mm diameter TPU ball with an 80 mm steel core. In all tests, the constitutive model parameters showed an excellent performance in representing the mechanical behavior of the material observed in the tests, including the nonlinear stiffness and hysteresis. Finally, a brief case study is presented to illustrate the applicability of the validated constitutive model parameters in modeling a novel TPU damper for structural control before its manufacturing and experimental testing. The validated constitutive modeling approach and available material parameters will allow the performance of reliable and early-stage finite element simulations to prototype the mechanical behavior of TPU components of different shapes and boundary conditions and thus gain relevant insight into the component level response before manufacturing and testing.

MOFs with the Stability for Practical Gas Adsorption Applications Require New Design Rules.

Metal-organic frameworks (MOFs) have been widely studied for their ability to capture and store greenhouse gases. However, most computational discovery efforts study hypothetical MOFs without consideration of their stability, limiting the practical application of novel materials. We overcome this limitation by screening hypothetical ultrastable MOFs that have predicted high thermal and activation stability, as judged by machine learning (ML) models trained on experimental measures of stability. We enhance this set by computing the bulk modulus as a measure of mechanical stability and filter 1102 mechanically robust hypothetical MOFs from a database of ultrastable MOFs (USMOF DB). Grand Canonical Monte Carlo simulations are then employed to predict the gas adsorption properties of these hypothetical MOFs, alongside a database of experimental MOFs. We identify privileged building blocks that lead MOFs in USMOF DB to show exceptional working capacities compared to the experimental MOFs. We interpret these differences by training ML models on CO2 and CH4 adsorption in these databases, showing how poor model transferability between data sets indicates that novel design rules can be derived from USMOF DB that would not have been gathered through assessment of structurally characterized MOFs. We identify geometric features and node chemistry that will enable the rational design of MOFs with enhanced gas adsorption properties in synthetically realizable MOFs.

Axial compression stress-strain relationship of lithium slag rubber concrete.

Replacing cement with lithium slag and fine aggregate with rubber in concrete solves waste disposal, reduces material consumption, boosts sustainability, and enhances concrete performance. A set of prismatic concrete specimens with varying proportions were designed and experimentally tested in order to study the compressive stress-strain behavior of lithium slag rubber concrete (LSRC). The main factors affecting the specimens were lithium slag substitution ratio (SL=0%, 10%, 20%, 30%) and rubber substitution ratio (SR=0%, 5%, 10%, 15%). The results demonstrated that the LSRC exhibited good integrity during the damage. Furthermore, the incorporation of lithium slag (LS) was found to effectively compensate for the reduction in compressive strength due to the incorporation of rubber. When 10% of the fine aggregate was replaced with rubber and 20% of the cement was substituted with lithium slag, the axial compressive strength, elastic modulus, and peak strain of the tested specimens increased by 21.57%, 6.92%, and 17.26%, respectively. Compared with ordinary concrete, LSRC has good toughness, impact resistance and durability with minimal loss of strength, and has broad application prospects in engineering fields (such as airports, highways, housing expansion joints, concrete floors and railway concrete sleepers, etc.). Based on the experimental data, simplified modified equations to predict the compressive strength, elastic modulus, peak strain and axial stress-strain constitutive model of LSRC were proposed, so as to promote the development of LSRC.

Additive manufacturing and in vitro study of biological characteristics of sulfonated polyetheretherketone-bioactive glass porous bone scaffolds.

Polyetheretherketone (PEEK), a high-performance special engineering plastic, has gradually been used in bone substitutes due to its wear resistance, acid and alkali resistance, non-toxicity, radiolucency, and modulus close to that of human bone. However, its stable biphenyl structure determines strong biological inertness, thus artificial interventions are required to improve the biological activity of fabricated PEEK parts for better clinical applications. This study developed a novel strategy for grafting bioactive glass (BAG) onto the surface of PEEK through sulfonation reaction with concentrated sulfuric acid (H2SO4), aiming to improve the bioactivity of printed porous bone scaffolds manufactured by fused deposition modeling (FDM) to meet clinical individual needs. In vitro biological study was conducted on sulfonated polyetheretherketone-bioactive glass (SPEEK-BAG) scaffolds obtained by this strategy. The results demonstrated that the optimal modification condition was a 4-hour sulfonation reaction with 1 mol/L concentrated H2SO4 at high temperature and high pressure. The scaffold obtained under this condition showed minimal cytotoxicity, and the Ca/P molar ratio, yield compressive strength, and compressive modulus of this scaffold were 2.94 ± 0.02, 62.78 MPa, and 0.186 GPa respectively. The hydrophilicity and the biomineralization ability of PEEK modified by the proposed strategy were substantially improved. The SPEEK-BAG bone scaffolds exhibited excellent biocompatible properties, suggesting that the sulfonation reaction and BAG effectively enhanced the proliferation and differentiation of osteoblasts. The presented method provides an innovative, highly effective, and customized strategy to improve the biocompatibility and bone repair ability of printed PEEK bone scaffolds for virous biomedical applications.

First-Principles Calculations of the Structural, Mechanical, Optical, and Electronic Properties of X2Bi4Ti5O18 (X = Pb, Ba, Ca, and Sr) Bismuth-Layered Materials for Photovoltaic Applications

For the first time, density functional theory (DFT) calculations have been employed for the measurement of the structural, mechanical, optical, and electrical properties of a bismuth-layered structure ferroelectrics (BLSFs) family member possessing an orthorhombic structure with Cmc21 space group. Based on the exchange–correlation approximation, our calculations show that Pb2Bi4Ti5O18 possesses an indirect band gap, while the materials X2Bi4Ti5O18 (X = Ba, Ca, and Sr) demonstrate direct band gap, where the estimated density functional fundamental band gap values lie between 1.84 to 2.33 eV, which are ideal for photovoltaic applications. The optical performance of these materials has been investigated by tuning the band gaps. The materials demonstrated outstanding optical characteristics, such as high absorption coefficients and low reflection. They exhibited impressive absorption coefficient (α = 105 cm−1) throughout a broad energy range, especially in the visible spectrum (105 cm−1 region). The findings show that the compounds demonstrate lower reflectivity in the visible and UV regions, making them suitable for single-junction photovoltaic cells and optoelectronic applications. The Voigt–Reuss–Hill averaging technique has been employed to derive elastic parameters like bulk modulus (B), Young’s modulus, shear modulus (G), the Pugh ratio (B/G) and the Frantesvich ratio (G/B) at 0.1 GPa. The mechanical stability of the compounds was analyzed using the Born stability criteria. Pugh’s ratio and Frantesvich’s ratio show that all the compounds are ductile, making them ideal for flexible optical applications.

Injectable double-crosslinked bone cement with enhanced bone adhesion and improved osteoporotic pathophysiological microenvironment for osteoregeneration in osteoporosis

The osteoporotic bone defect caused by excessive activity of osteoclasts has posed a challenge for public healthcare. However, most existing bioinert bone cement fails to effectively regulate the pathological bone microenvironment and reconstruct bone homeostasis in the presence of osteoclast overactivity and osteoblast suppression. Herein, inspired by natural bone tissue, an in-situ modulation system for osteoporotic bone regeneration is developed by fabricating an injectable double-crosslinked PEGylated poly(glycerol sebacate) (PEGS)/calcium phosphate cement (CPC) loaded with sodium alendronate (ALN) (PEGS/CPC@ALN) adhesive bone cement. By incorporating ALN, the organic-inorganic interconnection within PEGS/CPC@ALN results in a 100 % increase in compression modulus and energy dissipation efficiency. Additionally, PEGS/CPC@ALN effectively adheres to the bone by bonding with amine and calcium ions present on the bone surface. Moreover, this in-situ regulation system comprehensively mitigates excessive bone resorption through the buffering effect of CPC to improve the acidic microenvironment of osteoporotic bone and the release of ALN to inhibit hyperactive osteoclasts, and facilitates stem cell proliferation and differentiation into osteoblasts through calcium ion release. Overall, the PEGS/CPC@ALN effectively regulates the pathological microenvironment of osteoporosis while promoting bone regeneration through synergistic effects of drugs and materials, thereby improving bone homeostasis and enabling minimally invasive treatment for osteoporotic defects.

High-pressure phase transition in clinochlore: IIa polytype stabilization

Abstract Structural variations of natural clinochlore with pressure have been studied by in situ single-crystal X-ray diffraction (XRD) in a diamond-anvil cell in the pressure range 0–20 GPa at room temperature. High-resolution XRD data allowed for the identification of a polytypic phase transition at about 9 GPa. Around 4.32(5) GPa, the unit-cell parameters exhibited a significant deviation from linear behavior, particularly the c and β values, abruptly interrupted when the phase transition occurs. XRD patterns showed a drastic reduction of diffuse scattering due to the stabilization of the high-pressure structure, suggesting that the atomic reorganization of the layers led to a disorder reduction. The phase transition showed complete reversibility during the experiment. Ab initio structural refinements identified the transition as polytypic, from the initial IIb-4 triclinic polytype (space group C1) to the IIa-1 monoclinic structure (space group C2/m), with unit-cell parameters a = 5.2058(6) Å, b = 9.0208(4) Å, c = 13.560(7) Å, β = 97.34(3)°. The latter was theoretically derived in the 1960s as the least stable chlorite polytype but has never been observed in natural chlorites. The phase transition also has a significative effect on the bulk modulus, with a reduction from K0 = 81.2(13)t to K0 = 56.0(6) GPa for the high-pressure structure. An isothermal run at 600 K from ambient pressure to 14 GPa showed the same phase transition at 7.8(5) GPa. Its occurrence at lower pressures suggests a negative P/T slope for the transition. Therefore, at high-temperature and high-pressure conditions compatible with impact phenomena, the polytypic phase transition could prevent chlorite from early destabilization and dehydration.

Toward Superior Stiffness in Carbon: The Interplay between Bond Strength and Anisotropic Response.

Carbon's ability to form diverse structures with varying hybridizations motivates the search for novel materials surpassing diamond's exceptional mechanical rigidity. We analyze previously predicted superhard phases and find that some exhibit average bond stiffness and density higher than those of diamond, hinting at potentially superior stiffness. However, these structures show a lower bulk modulus. We delve into this contradiction and demonstrate that it stems from the structures' anisotropic response to isotropic deformation. The concept of strain anisotropy is introduced to quantify this phenomenon. Our findings reveal a key connection between bond stiffness and bulk modulus in carbon materials, highlighting the importance of considering anisotropic behavior for a comprehensive understanding of the mechanical properties.

Micromechanical analyses of unidirectional (UD) discontinuous flax fiber reinforced composites

Prediction of the strength and damage behavior of natural fiber composites is a challenging task due to computational difficulties resulting from large fiber aspect ratio, non-uniform fiber length distribution, and interface modelling. A computational micromechanical model, which solves the above-mentioned challenges by incorporating a novel representative volume element (RVE) generation algorithm inspired by Lennard-Jones potential, is developed to predict the tensile behavior of unidirectional (UD) flax/epoxy composites. Effects of fiber aspect ratio, fiber spatial distribution, interfacial and matrix properties on longitudinal modulus, strength, and the damage behavior of the flax/epoxy composites are extensively studied using the numerical model. The modulus and strength predicted by numerical model were compared with both analytical models and experimental results, which not only validated the numerical model but identified the limitations of analytical model. The longitudinal strength of flax/epoxy composites initially increased with fiber aspect ratio. Upon reaching certain fiber aspect ratio (25 in this study), strength predicted by both RVE (RVEs with many fibers) and unit cell (unit cells with two fibers) are close to experimental value (240 MPa). This finding provides confidence and guidance on how to use simplified unit cells to predict the strength of natural fiber composites with acceptable accuracy and much lower computational cost.

Large deformation problem of hyperbolic shallow shells with bimodular effect: A perturbation‐variation method

AbstractAs an important analytical method, the perturbation‐variation method combines the advantages of perturbation method and variational method, and is widely used for the solution of nonlinear plate and shell problems. In this study, the perturbation‐variation method is used to solve the large deformation problem of a flexible hyperbolic thin shallow shells with different moduli in tension and compression (bimodular effect). First, we establish the governing equations expressed in terms of three displacement components, in which the bimodular effect of materials is considered in physical equations and the large deformation of shell is considered in geometrical equations. Next, we use the perturbation‐variation method to solve the governing equations established, obtaining the perturbation‐variation solution up to third‐order. During the application of the method, the displacements are expressed into perturbation formulas of all levels first, and the unknown constants and functions in the perturbation formulas are determined by the extreme value conditions of the functional established (variational principle), hence the perturbation‐variation method gets its name from this practice. The numerical results from FEM basically agree with the perturbation‐variation solution obtained. The method proposed may be extended into the solution of similar partial differential equations established in applied fields.

Investigation on the evolution of concrete pore structure under freeze-thaw and fatigue loads

Hydraulic concrete structures in seasonal frozen regions serve under freeze-thaw cycles and cyclic loading conditions which cause notable alterations in the concrete pore structure and a significant reduction in the mechanical properties and durability of concrete. To understand the macroscopic and mesoscopic damage processes and mechanism of concrete subjected to freeze-thaw cycles and cyclic loading lead, the compressive experiment and computed tomography test of concrete after freeze-thaw and fatigue loading tests were conducted. And the influences of freeze-thaw cycle damage and cyclic loading damage on the pore structure of concrete were analyzed. The relationships between concrete pore fractal dimension, compressive strength, and elastic modulus were revealed. The concrete average pore size can be regarded to grows linearly under freeze-thaw and cyclic loading. The porosity, pore volume, and pore surface area increase with the increase in freeze-thaw cycles, and their relationship can be represented by a quadratic function. However, they first decrease and then increase with the increase of loading cycles after a specific freeze-thaw cycles number. Under the combined action of freeze-thaw cycles and cyclic loading, the non-uniformity degree of concrete pore distribution decreases, and the overall structure is more regular. The distribution of single pore morphology tends to be spherical and banded, respectively. The cyclic loading promotes the extension of the internal pores and cracks of freeze-thaw-damaged concrete which aggravates damage of concrete. Under freeze-thaw cyclic loading, the concrete compressive strength and elasticity modulus is linearly and positively correlated with fractal dimension. With the increase of loading cycles number after freezing and thawing, the fractal dimension and compressive strength decrease, and the elasticity modulus has a larger dispersion. The relationship model between concrete compressive strength and fractal dimension can well describe the macroscopic and mesoscopic evolution of concrete under freeze-thaw and cyclic loading. The results can provide a scientific basis for improving the design and maintenance of concrete and benefit extending the long-term service life of hydraulic concrete structures in cold climates.

Enhancing electromechanical conversion and motion-monitoring application of pore-oriented cellulose nanocrystal/agarose aerogel modified with flexible heterojunction structures

Oriented-porous cellulose nanocrystal (CNC)-based aerogels excel in directional energy conversion but face reduced toughness, and triboelectric performance bottlenecks owing to the absence of electron acceptors. In this work, we crosslinked quaternary ammonium CNC with another flexible carboxymethyl agarose (AG-), via borate dynamic bonds, exploiting the electron-accepting traits of boron and electrophilic modifications to boost the mechanical and triboelectric performance of aerogels. These results demonstrate that the compressive resilience and modulus of CNC/AG aerogel are improved up to 70.79 % (after 10-cycle 20 % strain) and 18.77 kPa attributing to the borate cross-linking network and oriented structure. Furthermore, the electromechanical response sensitivity and output energy density of the CNC/AG aerogel increased by 6.06 times (to 7.51 V/Hz) and 28.3 times (to 1.87 W/m2), respectively. The structure characteristics of the CNC/AG aerogel reveal that the oriented structure and heterojunction of the CNC/AG aerogel with electron transfer pathways reduce dielectric losses. The COMSOL simulation also show that oriented pores increase the polarization and charge density of the CNC/AG aerogel, thereby improving the electromechanical conversion efficiency. This work offers a synergistic approach for toughening aerogels and generating heterojunctions via flexible modification, presenting significant potential for smart devices with energy-collection ability.

Predictive Modeling of High-Entropy Alloys and Amorphous Metallic Alloys Using Machine Learning.

High entropy alloys and amorphous metallic alloys represent two distinct classes of advanced alloy materials, each with unique structural characteristics. Their emergence has garnered considerable interest across the materials science and engineering communities, driven by their promising properties, including exceptional strength. However, their extensive compositional diversity poses substantial challenges for systematic exploration, as traditional experimental approaches and high-throughput calculations struggle to efficiently navigate this vast space. While the recent development in data-driven materials discovery could potentially help, such efforts are hindered by the scarcity of comprehensive data and the lack of robust predictive tools that can effectively link alloy composition with specific properties. To address these challenges, we have deployed a machine-learning-based workflow for feature selection and statistical analysis to afford predictive models that accelerate the data-driven discovery and optimization of these advanced materials. Our methodology is validated through two case studies: (i) a regression analysis of the bulk modulus, and (ii) a classification analysis based on glass-forming ability. The Bayesian-optimized regression model trained for the prediction of bulk modulus achieved an R2 of 0.969, an mean absolute error (MAE) of 3.958 GPa, and an root mean square error (RMSE) of 5.411 GPa, while our classification model for predicting glass-forming ability achieved an F1-score of 0.91, an area-under-the-curve of the receiver-operating-characteristic curve of 0.98, and an accuracy of 0.91. Furthermore, by leveraging a wide array of chemical data from diverse literature sources, we have successfully predicted a broad range of properties. This success underscores the efficacy of our modeling approach and emphasizes the importance of a comprehensive feature analysis and judicious feature selection strategy over a mere reliance on complex modeling techniques.

Structural, optoelectronic, and magnetic properties of Q‑carbon studied by hybrid density functional theory ab initio calculations and experiment

This work presents a theoretical study of the structural, optoelectronic, and magnetic properties of Q‑carbon, utilizing hybrid functionals within density functional theory (DFT) ab initio calculations. Moreover, experiments were conducted to measure structural parameters, dielectric functions, and magnetic properties, using various techniques. From the DFT simulations, structural, electronic, and optical properties have been simulated. The band gap energy was calculated using a hybrid approach, which combine HSE functional with different values of exact Hartree-Fock (HF) exchange (α). We propose a theoretical investigation of cubic and quasi-cubic forms of Q‑carbon. Our findings indicate that a non-cubic Q‑carbon cell is energetically more stable and possesses higher cell mass density and bulk modulus compared to a cubic cell. Calculations indicated that Q‑carbon exhibits semiconductor behavior; an indirect band gap of 3.10 eV and a direct band gap of about 3.4 eV was obtained for α = 0.44, in good agreement with experimental values. The density of states analysis allowed us to identify the p orbital of sp2 hybridized atoms as being prevalent on the top of the valence band and in the lowest energy conduction band states. Magnetic moment values of 0.37 μB and 0.41μB was found in two sp2 bonded C atoms, in accordance with the experimental observation. Several optical properties were calculated. The theoretical findings are compatible with the experimental results shown here and available in the literature, with excellent agreement found between the calculated optical band gap and that obtained from absorption measurements.

Evaluating the mechanical stability and flexibility of Ga2O3 films on mica substrates via Pulsed Laser deposition and CASTEP simulations

This research analyzes the mechanical stability and flexibility of Ga2O3 films on mica substrates, advancing material science. Integrating Cambridge Sequential Total Energy Package (CASTEP) simulations with Pulsed Laser Deposition (PLD) reveals β-Ga2O3′s electronic structure and wide bandgap of 4.98 eV. X-ray diffraction (XRD) analysis indicates a significant increase in crystallite size from 26 nm to 152 nm as the substrate temperature increased from 500 °C to 800 °C. Scanning Electron Microscopy (SEM) images show enhanced grain size and defined boundaries at higher temperatures. The mechanical properties, including a bulk modulus of 201.35 GPa, shear modulus of 97.52 GPa, and Young’s modulus of 251.90 GPa, confirm the material’s strong mechanical stability. These properties suggest that Ga2O3 films suit high-stress and flexible electronic applications. This study bridges theoretical predictions with empirical observations, contributing to developing Ga2O3-based materials for next-generation technologies. © 2017 Elsevier Inc. All rights reserved.

Two-dimensional one-way coupled modelling for fluid-structure-seabed interactions around a semicircular breakwater using OpenFOAM

Semicircular breakwaters, preferred for their lighter weight, wider base and superior resistance to overturning and sliding, have seen focused research on wave forces and hydrodynamic performance. Despite documented failures due to seabed instability, numerical examinations of the seabed response and stability around these structures are lacking in the literature. This study establishes an OpenFOAM model to numerically investigate hydrodynamic interactions, structural dynamics, seabed consolidation and liquefaction potential near a semicircular breakwater in two-dimensional, addressing complex fluid–structure-seabed interactions in a one-way coupling manner. A novel method for determining the compressibility of the pore fluid has been implemented, which integrates geostatic stress, atmospheric pressure and wave-induced excessive pore pressure within the seabed. The numerical results indicate that seabed responses are sensitive to the bulk modulus of pore air in partially saturated cases, where a decrease in pore pressure, an increase in the vertical effective stress and a decrease in the horizontal effective stress are observed. Further numerical analysis reveals that the most vulnerable part of the breakwater appears on the wave-facing side of the caisson, where reinforcement measurements are recommended during construction. A pronounced liquefaction zone is observed ahead of the breakwater, corresponding to the area with upward seepage, which is attributed to the combined effect of hydrodynamic interactions and direct stress action transferred from the semicircular breakwater.

Effect of order-disorder transition and lattice distortion on the mechanical properties of W-X (X = V, Nb, Ta) solid solutions

With the prosperity of high entropy alloys, short-range ordering is getting more and more attentions and regarded as the deciding role in the hardening or softening of solid solutions. In this work, the phase stability and mechanical properties of short-range ordered and disordered body-centered cubic (BCC) structures of W-X solid solutions (X = V, Nb, and Ta) are systematically investigated through a combination of first-principles calculation, cluster expansion and quasi-harmonic Debye formula. Based on the calculated heat of formation (ΔHf), W-X solid solutions show a strong short-range ordering tendency, as those ordered structures have a lower ΔHf than the disordered ones. Generally, short-range ordering results in the decrease of the shear modulus to bulk modulus ratio (G/B) and hardness for W-V and W-Ta systems, while an increase for W-Nb system, manifesting solid-solution softening and hardening effect, respectively. The short-ranged ordered C11b W2X phase exhibits a singularity in mechanical properties characterized by a higher G/B than solid solution phases compared to other ordered phases. The lattice distortion breaks the symmetric W-W bonds and leads to partial covalency in the W2X phases. Besides the increased brittleness, this distortion also causes the increase of ideal strength and the reduction of maximum tensile elongation of W2X. The effect of short-range ordering and lattice distortion on the hardening or softening of the W-X systems disappears after the order-disorder transition. The W-V and W-Ta phases have higher order-disorder transition temperature than W-Nb phase. Nevertheless, the transition temperature is relatively low in comparison to their melting points, signifying the important role in controlling the solute concentration at lower temperature.

Machine-learning assistant DFT study of half-metallic full-Heusler alloy N2CaNa: Structural, electronic, mechanical, and thermodynamics properties

We studied the structural, electronic, mechanical, and thermodynamic properties of N2CaNa full Heusler alloys using density functional theory (DFT). Results for the structural analysis establish structural stability with a minimum formation energy of 29.9 eV. The compound is brittle and mechanically stable, having checked out with the Pugh criteria. The B/G ratio of bulk modulus B to shear modulus G for N2CaNa is 4.766, hence the material is ductile. N2CaNa alloy is ductile in nature. The Debye model correctly predicts the low-temperature dependence of heat capacity, which is proportional to Debye’s T3 law. Just like the Einstein model, it also recovers the Dulong–Petit law at high temperatures, suggesting the thermodynamic stability of the compounds at moderate temperatures. The results demonstrate potential N2CaNa for applications in spintronics, structural engineering, and other fields requiring materials with tailored properties.

Double cross-linked biomass aerogels with enhanced mechanical strength and flame retardancy for construction thermal insulation

Biomass aerogels are expected to be a popular material in construction field due to their sustainability, eco-friendliness and excellent thermal insulation properties. In this paper, high modulus biomass aerogels based on the principle of double cross-linking of physics and chemistry were synthesized by freeze-drying technique using gelatin, sodium carboxymethyl cellulose, glutaraldehyde, phytic acid and diatomite as raw materials. The presence of a double cross-linked network structure endowed the prepared aerogels with a low thermal conductivity (0.021–0.029 W·m−1·k−1). The density of only 0.0865 g·cm−3 biomass aerogel exhibited an extrastrong compression modulus of 31.5 MPa, which was superior to common biomass aerogels. Biomass intumescent flame retardant system composed of sodium carboxymethyl cellulose (carbon source), gelatin (gas source) and phytic acid (acid source) was used in combination with diatomite to enhance flame retardancy (limit oxygen index value up to 36.5 %, UL-94 V-0 rating and total smoke production reduced from 0.31 m2 to 0.18 m2) and thermal stability (the residue up to 48.91 %). Remarkably, the modified aerogel showed incredible hydrophobicity (hydrophobic angle of 137°). In summary, the results indicated this study proposed a novel green idea for the preparation of construction thermal insulation materials with a combination of high modulus, flame retardancy and hydrophobicity.