Larger Elastic Modulus Research Articles

Triclinic-Phase Bismuth Chromate: A Promising Candidate for Photocatalytic Water Splitting with Broad Spectrum Ranges.

Photocatalytic water splitting for solar energy conversion remains challenged by the lack of novel semiconductor photocatalysts with paramount parameters including wide light-harvesting ranges and suitable band structures. Here, a novel triclinic-phase bismuth chromate (Bi2 CrO6 ) acting as a semiconductor photocatalyst candidate is reported. Triclinic Bi2 CrO6 exhibits a broad absorption range of ≈650nm with a direct bandgap of 1.86eV and shows a suitable band structure for water splitting. Theoretical simulations of triclinic Bi2 CrO6 reveal a high charge mobility,possibly owing to the strong hybridized covalent bonds, large elastic modulus, and small carrier effective mass. The triclinic Bi2 CrO6 is demonstrated to work well toward photocatalytic water oxidation and hydrogen production reactions under visible light and match well with its absorption ranges. In particular, it exhibits decent photocatalytic water oxidation performance in the presence of various electron scavengers. Furthermore, the visible-light-driven Z-scheme overall water splitting system is fabricated by coupling triclinic Bi2 CrO6 as the oxygen evolution photocatalyst with SrTiO3 :Rh as the hydrogen evolution photocatalyst, giving a stable overall water splitting with stoichiometric evolution of H2 and O2 . This work presents a promising semiconductor material enabling wide-range light harvesting for photocatalytic and photo-electrochemical solar energy conversion.

A novel thermal interface membrane structure based on phase change material for thermal management of electronics

As an important part of the heat dissipation system of electronic devices, thermal interface membranes (TIM) can largely eliminate the interface thermal resistance between electronic devices and heat sinks. However, the minimum thickness of TIM which is constrained by the maximum assembly pressure that the electronic chip can withstand and the marginal cost caused by the continuous improvement of thermal conductivity makes the development of conventional TIM bottlenecked. This paper proposes a novel laminar temperature control structure based on form-stable phase change material with thermal-induced flexibility (TF-FSPCM). When the TF-FSPCM is thin (<500 μm), the structure appears as a TIM. Different from conventional TIMs, the structure provides a unique lateral thermal conductivity channel to increase the maximum heat flux. And the TF-FSPCM simultaneously solves the problem of excessive assembly pressure and leakage of PCM. 6 wt% EG increases the thermal conductivity of PCM by 223 %. When the carbon fiber net (CFN) is functional layer material, the actual thermal resistance of CFN-TIM is not >0.79 cm2K/W and the minimum theoretical thermal resistance is <0.1 cm2K/W at the preparation pressure in 0.04 MPa. In particular, the assembly pressure on TF-FSPCM is reduced to a normal level due to its excellent self-repair. In addition, the membrane structure of CFN greatly improves the tensile strength and puncture resistance so that it has a broader application prospect. Finally, the actual temperature control experiments show that the equilibrium temperatures of CFN-TIM and CFN/CF-TIM are reduced by 12.8 °C and 15.6 °C, respectively. This indicates that the membrane structure has a small actual thermal resistance and a large elastic modulus. And it proves that the unique lateral conduction channel of the laminar composite structure has the actual heat dissipation ability.

Halogenated and chalcogenated Ti2C MXenes: High capacity electrode materials for lithium-ion batteries

Inspired by the recent successful growth of Ti2C monolayers, we investigated the effects of Ti2CT2 (T = F, Cl, Br, O, S and Se) anode in lithium-ion batteries (LIBs) by first-principles calculations. The results revealed that Ti2CT2 MXenes exhibit metallic conductivity with higher structural stability and mechanical strength than Ti2C. Compared with other Ti2CT2 monolayers, Ti2CS2 monolayer display lower diffusion barrier, larger elastic modulus, lower open circuit voltage and higher storage capacity. Moreover, surface sulfuration yields the expanded interlayer spacing, which can improve Li-ion accessibility in double-layer Ti2CS2.

Dynamic Compression Mechanical Properties of TiZrHfX0.3 High‐Entropy Alloys

High‐entropy alloys (HEAs) are gradually replacing armor‐piercing core materials such as depleted uranium and tungsten alloys in high strain rate, high temperature, and high pressure service environments due to their excellent mechanical properties (high strength, high strain rate strengthening effect, and strong shear self‐sharpening characteristics). The dynamic compression performance of TiZrHf‐based HEAs with different elements, different strain rates, and multiple loadings is tested by the self‐constructed separate Hopkinson compression bar experimental system. The results show that the TiZrHfCu0.3 alloy has the largest elastic modulus and the strongest deformation resistance. TiZrHfAl0.3 and TiZrHfCu0.3 show a certain strain rate effect. The elastic modulus increases with the increase of loading times. The ultimate strength of TiZrHfAl0.3 remains unchanged after multiple loading, while the ultimate strength of TiZrHfCu0.3 and TiZrHfNi0.3 decreases gradually.

A novel broken-gap chemical-bonded SiC/Ti2CO2 heterojunction with band to band tunneling: first-principles investigation.

A broken-gap heterojunction is a bright approach for designing tunneling field-effect transistors (TFETs) due to its distinct quantum tunneling mechanisms. In this study, we investigate the electronic structure and transport characteristics of a SiC/Ti2CO2 heterojunction, as well as the impacts of electric field and strain on the electronic properties via density functional theory. We determine that the interfacial atoms of the heterojunction are covalently bonded, forming a type-III heterojunction with a broken-gap. There exists band-to-band tunneling (BTBT) from the valence band (VB) of SiC to the conduction band (CB) of Ti2CO2. The creation of the heterojunction also enhances the carrier mobility arising from the large elastic modulus and the decrease of deformation potential. The current-voltage (I-V) characteristics of the device demonstrate a pronounced negative differential resistance (NDR) effect, along with a current that is about ten times greater than that of the vdW type-III heterojunction. Moreover, the tunneling window of SiC/Ti2CO2 is only slightly altered when subjected to an external electric field and vertical strain, demonstrating the remarkable stability of its type-III band alignments. Our results indicate that the SiC/Ti2CO2 heterojunction is useful to construct high-performance TFETs, and also introduces new ideas to design TFETs by using type-III covalent-bond heterojunctions.

Are MXenes suitable for soft multifunctional composites?

MXenes are a family of two-dimensional (2D) nanomaterials known for their high electrical and thermal conductivity, as well as high aspect ratios. Recent research has focused on dispersing MXenes within compliant polymer matrices, aiming to create flexible and stretchable composites that harness MXenes' exceptional conductivity and aspect ratios. Experimental findings demonstrate the potential of MXene polymer composites (MXPCs) as flexible electrical, thermal conductors, and high dielectric materials, with promising applications in soft matter engineered systems. However, the 2D structure of MXene inclusions and their relatively large elastic modulus can impart increased stiffness to the polymer matrix, posing limitations on the mechanical flexibility of these functional materials. Here, we introduce a modeling platform to predict the mechanics and functionality of MXene elastomer composites and assess their suitability as soft multifunctional materials. Our investigation primarily focuses on understanding the influence of MXenes' size, layered structure, and percolation arrangements on the effective properties of the resulting composites. Through our model, we successfully determined the elastic modulus, thermal conductivity, and dielectric constant of MXene elastomer composites, and our results exhibit strong agreement with those obtained through finite element analysis. By utilizing this framework, we can theoretically identify the necessary microstructures of MXenes and guide the experiments, enabling the creation of MXPCs with the desired synergistic mechanical and functional properties.

Janus MoAZ3H (A = Ge, Si; Z = N, P, As) monolayers: a new class of semiconductors exhibiting excellent photovoltaic and catalytic performances.

Due to the asymmetrical structure in the vertical direction, Janus two-dimensional (2D) monolayer (ML) materials possess some unique physical properties, holding great promise for nanoscale devices. In this paper, based on the newly discovered MoA2Z4 (A = Si, Ge; Z = N, P, As) ML, we propose a class of 2D Janus MoAZ3H ML materials with good stability and excellent mechanical properties using first-principles calculations. We demonstrate that the novel Janus MoAZ3H ML materials are all semiconductors with bandgaps ranging from 0.69 to 2.44 eV, giving rise to good absorption in the visible light region. Especially, both MoSiN3H and MoGeN3H MLs can be used as catalysts for producing hydrogen through water splitting. This catalytic property is much more efficient than that of the MoA2Z4 ML, attributed to the intrinsic electric field induced by the vertical asymmetry effectively separating electrons and holes. More importantly, the carrier mobility of the MoAZ3H ML is up to 103-104 cm2 V-1 s-1 due to the large elastic modulus or small effective mass. Additionally, the electronic properties of the MoAZ3H ML can be easily tuned by strain. Our results suggest a new strategy for designing novel 2D Janus materials, which not only expands the members in the 2D MA2Z4-based Janus family, but also provide candidates with excellent performances in photovoltaic and catalytic fields.

Self-Folding Liquid Crystal Network Filaments Patterned with Vertically Aligned Mesogens.

Fibrous soft actuators with high molecular anisotropy are of interest for shape morphing from 1D to 2D and 3D in response to external stimuli with high actuation efficiency. Nevertheless, few have fabricated fibrous actuators with controlled molecular orientations and stiffness. Here, we fabricate filaments from liquid crystal networks (LCNs) with segmental crosslinking density and gradient porosity from a mixture of di-acrylate mesogenic monomers and small-molecule nematic or smectic liquid crystals (LCs) filled in a capillary. During photopolymerization, phase separation between the small-molecule LCs and LCN occurs, making one side of the filament considerably denser than the other side. To direct its folding mode (bending or twisting), we control the alignment of LC molecules within the capillary, either along or perpendicular to the filament long axis. We show that the direction of UV exposure can determine the direction of phase separation, which in turn direct the deformation of the filament after removal of the small-molecule LCs. We find that the vertical alignment of LCs within the filament is essential to efficiently direct bending deformation. By photopatterning the filament with segmental crosslinking density, we can induce a reversible folding/unfolding into 2D and 3D geometries triggered by deswelling/swelling in an organic solvent. Moreover, by taking advantage of the large elastic modulus of LCNs and large contrast of the modulus before and after swelling, we show that the self-folded LCP filament could act as a strong gripper.

Development and Implementation of Cement-Based Nanocomposite Sensors for Structural Health Monitoring Applications: Laboratory Investigations and Way Forward

Recent advances in material science and self-sensing technology have enabled the development of cement-based nanocomposite sensors that detect the damage on their own by exhibiting piezoelectric properties corresponding to the response of the structures. The present study involves the development and implementation of these sensors in the structural components and monitors the response by correlating the piezoelectric properties of the sensors with the stress-strain response to identify the potential damage. For this purpose, the carbon fiber (CF) and multiwalled carbon nanotubes (MWCNT) are used as nanofiller in the cementitious matrix to develop the self-sensing sensors. These sensors possess high strength, large elastic modulus, and piezo resistivity properties, which make them promising smart sensor materials for structural health monitoring applications. Two example applications involving the beam and column as the structural components are used for the experimentation. After embedding the sensors into the structural components, the response is evaluated in the form of resistance versus load. The self-sensing sensor is capable of detecting the nanostructural cracks during the loading of the system. Based on the severity of loading, the resistivity will indicate the damage state of the structural component which helps in deciding the suitable retrofitting strategies for the maintenance of the structural component to elongate the service life of the structures. The developed sensors also possess good mechanical and electrical properties and hence they have promising characteristics for real-time health monitoring applications.

Selective Penetration and Profile Control Performance of Preformed Particle Gels for Heterogeneous Oil Reservoirs.

The preformed particle gel (PPG) has been proved to be an effective chemical agent to reduce fluid channeling and increase the sweeping efficiency. However, we still lack a clear understanding of the field-scale matching relationship between PPG size, elastic modulus and a heterogeneous reservoir. In this respect, the paper carried out various sand pack displacement experiments. The results indicated that an excessively large PPG or elastic modulus would plug a low-permeability sand pack and even increase the severity of fluid channeling. On the contrary, an excessively small PPG or elastic modulus allowed a certain degree of profile control, but the PPG could easily migrate out of high-permeability sand packs with water. If the elastic modulus remained unchanged, the suitable PPG size increased as the reservoir permeability ratio increased. On the other hand, the suitable elastic modulus increased with the increase of the reservoir permeability ratio when the PPG size was kept the same. By using regression analysis, quantitative expressions were established in order to determine the best suitable PPG size for a certain heterogeneous reservoir. When the elastic modulus was fixed, the best suitable PPG mesh exhibited a linear relation with the permeability ratio. This paper provides a useful reference to select the most convenient PPG size and elastic modulus for a potential heterogeneous reservoir, suitable to enhance oil recovery.

Effects of stress-assisted migration on potentiostatic intermittent titration technique (PITT) in spherical particles

Determining the chemical diffusion in active materials is crucial to the modeling and simulation of the chemo-mechanical interaction during electrochemical cycling of lithium-ion batteries, in which the diffusion coefficient of lithium plays an important role in describing the migration of lithium. Among the existing electrochemical measurement techniques, potentiostatic intermittent titration technique (PITT) is relatively reliable in determining diffusion coefficient in an electrochemical system since this technique relies only on the electrode dimension, i.e. the electrode thickness or the particle radius. In this work, a two-way coupling chemo-mechanical model is established to investigate the electrode transient current under PITT operation by incorporating the contribution of mechanical energy (hydrostatic stress) in chemical potential. The electrode transient current with the contribution of hydrostatic stress is compared to the counterpart with classical Fick diffusion law. Two key factors controlling the stress-diffusion coupling in the analysis of the electrode transient current under PITT operation are investigated, i.e. partial molar volume and elastic modulus of spherical particle. A ratio of the “intrinsic” diffusion coefficient to the nominal diffusion coefficient is defined to quantitively analyze the effects of the stress-diffusion coupling on the diffusion coefficient determined from PITT operation. The numerical results reveal that a large partial molar volume and/or a large elastic modulus will result in significant deviation of the diffusion coefficient by using PITT technique without considering the stress-diffusion coupling effects.

Synthesis of high-modulus thermoset PUs of PCL-PTMG/CNW biomaterials with different soft domain architecture and composition for high shape memory performance

In this research work, a series of thermoset polyurethane (tPU) nanocomposites and a thermoplastic PU (TPPU) were synthesized using semi-crystalline polyols. Poly(ε-caprolactone) (PCL), poly(tetramethylene glycol) (PTMG), and different architecture and compositions of PCL and PTMG were used as diols. PCL was used to synthesize a TPPU (PCL-TPPU) as the control specimen. Cellulose nanowhisker (CNW), with 1.0 wt% content, was used for synthesis of the tPU nanocomposites. The aim of this research was to investigate the impact of the thermosetting using CNWs and tuning crystallization of the polyols on the shape memory performance (SMP) of PUs. The analysis of the polyols’ crystallization and crystallization of the soft segments in the PU structures was studied to evaluate the impact of structural changes on the SMP of the PUs. The results of the dynamic mechanical thermal analysis showed that the tPUs have a large elastic modulus (E′) at temperatures around ~ 25–40 °C (~ 10 MPa) and very small tanδ height (below 0.15), which was attributed to their thermoset nature and presence of CNW with high E′ value (~ 110–220 GPa). The PCL-TPPU, as the control specimen, showed E′ in the range of 200–400 kPa. The PUs have also proved to be highly biocompatible.Graphical abstract

Multi-scale elastic behavior of cold sprayed refractory metal from splat to bulk deposit by integrated experimental and modeling approach

The absence of a scientific understanding of the multi-scale elastic behavior of cold sprayed refractory metal deposits impedes their manufacturing for surface protection against harsh environments. This paper reports an integrated experimental and modeling approach to establish the multi-scale hierarchical nature of elastic modulus of cold sprayed deposits for the first time. At the nanometer length scale, localized structural heterogeneities such as splats and jetting result in a large elastic modulus distribution from 75 to 92% of the wrought metal. These variations persist at the mesoscopic length scales, with the modulus ranging from 62 to 100% of that of wrought metal over 3 to 4 splats. Finite element modeling, built on experimental microstructures and modulus measurements, revealed that at microscopic length scales over 10 to 20 splats, these localized modulus heterogeneities are ‘ironed out’ to 75–82% of wrought values. Finally, at macroscopic length scales over thousands of splats, the bulk elastic modulus of cold sprayed deposits stabilizes at 162 GPa, about 87% of wrought metal. This article thus bridges the gap in scientific knowledge on elastic behavior of cold sprayed hierarchical deposits across orders of magnitudes in length scales and identifies focus areas for future aligned research.

The physical properties of a semi-hard magnetic Fe3Pd alloy with negative enthalpy of formation

• A ferromagnetic Fe 3 Pd ordered structure with negative enthalpy of formation is report for the first time. • The structure is mechanically and dynamically stable in the ferromagnetic state. • It is a semi-hard magnetic material suitable for magnetically coupled devices. • Electronic structure, elastic properties and thermal expansion have been determined. This study presents a theoretical calculation on the physical properties of the tetragonal Z1-type ordered Fe 3 Pd structure, and a comparison with other reported structures is performed. The Z1-Fe 3 Pd is thermodynamically, mechanically, and dynamically stable in the ferromagnetic state. Note that this tetragonal structure is the first Fe 3 Pd structure found to have a negative enthalpy of formation. Compared with the P 4/ mbm -Fe 3 Pd, the Z1-Fe 3 Pd has larger elastic modulus and higher uniaxial magnetocrystalline anisotropy constant. From the Pugh’s ratio, however, the P 4/ mbm -Fe 3 Pd is more ductile than the Z1-Fe 3 Pd. The magnetic hardness parameter shows that both Z1 and P 4/ mbm structures are semihard magnetic materials suitable for magnetically coupled devices. Unlike other Fe 3 Pd structures reported previously, for the Z1 structure the magnetic moment of the two types of Fe atoms are quite different. The Fe magnetic moment discrepancy in the Z1 structure and the thermal expansion discrepancy between the Z1 structure and other structures are analyzed with the electronic structure and the linear coefficient of thermal expansion, respectively.

Study on strain sensing property of fiber Bragg grating based on surface strain measurement of mechanical structure.

Strain monitoring is of great significance to identify the failure of key mechanical components and ensure the good operation of mechanical equipment. In terms of the common issue of the low sensitivity of fiber Bragg grating (FBG) strain sensor in strain measurement on the mechanical structure surface, this paper describes a flexible hinge strain sensor with the FBG as the sensitive element. A theoretical analysis of the sensitivity of the sensor is performed, a copper alloy material with a large elastic modulus is selected, the simulation analysis and optimization design for the structural parameters of the sensor are carried out by using ANSYS and Solidworks software, then the object of the sensor is developed according to the simulation results, and finally, the performance of the sensor is tested. The results show that the maximum deformation the sensor can measure is 0.5299 µε, the sensitivity of the sensor is ∼1.8870 pm/µε, which is approximately twice that of the bare FBG sensor, the linearity is greater than 99%, and the relative standard deviation of the repeatability is 0.9%. The results of the study provide a reference for developing the optical fiber strain sensor and further improving its sensitivity.

Multi-scale effects of tensile properties of lightweight engineered geopolymer composites reinforced with MWCNTs and steel-PVA hybrid fibers

In this paper, the effects of functionalized multi-walled carbon nanotubes (MWCNTs) and hybrid fibers on the flowability, tensile properties, failure modes, and microstructure of lightweight engineering geopolymer composites (LW-EGC) were discussed. The results showed that functionalized MWCNTs and hybrid fibers have a negative effect on the flowability of the LW-EGC. The tensile properties of the LW-EGC reinforced by PVA fibers were significantly improved by the functionalized MWCNTs. Compared with LW-EGC-R, the ultimate stress, strain, and strain energy density of LW-EGC-M2 increased by 5.67%, 155.78%, and 151.14%, respectively. The hybrid fiber has large volume fraction and high elastic modulus, which can effectively improve the tensile strength, ductility and crack control ability of LW-EGC. As per results, the optimal proportion of hybrid fibers was 0.15% functionalized MWCNTs, 2.5% PVA fiber, and 1.0% steel fiber. The microscopic observation revealed that the functionalized MWCNTs and hybrid fibers mainly played a role in improving the matrix and bridging cracks such that the LW-EGC exhibited good ductility, tensile strength, and multiple cracking behaviors. This study provides a reference for the design of LW-EGC reinforced by functionalizing MWCNTs and hybrid fibers and further explores the mechanisms of multi-scale reinforcement of LW-EGC.

Investigation of steel fiber reinforced high-performance concrete with full aeolian sand: Mix design, characteristics and microstructure

High-performance concrete with full aeolian sand (FA-HPC) has the characteristics of low water binder ratio, large cementitious materials content and no restriction of coarse aggregates, resulting in a high risk of shrinkage cracking. Aiming at reducing the shrinkage of FA-HPC and improving its cracking resistance, mechanical properties and durability, steel fibers with different lengths are employed to reinforce FA-HPC and develop a new type of cement-based composites (FA-HPFRC). For this purpose, the modified Andreasen & Andersen (MAA) model was adopted to determine the volume fractions of aeolian sand (AS), cement, fly ash (FA) and silica fume (SF). Then, the water binder ratio (W/C), superplasticizer (SP) and steel fiber content of FA-HPFRC were optimized through wet packing compactness, flowability, mechanical properties and shrinkage tests. Furthermore, the cracking resistance and microstructure of the developed FA-HPFRC were tested and analyzed from macro-micro perspectives. The results show that the volume fractions of AS, cement, FA and SF are determined as 0.482:0.316: 0.109:0.093 when the powder materials in FA-HPFRC are stacked to the most compact state. The wet packing compactness decreases with a higher W/C ratio while it increases first and then decreases with the increase of SP content. Considering the influences on mechanical properties, the W/C and SP content shall be 19% and 1% of the cementitious material separately. The introduction of steel fibers in FA-HPC reduces the concrete's flowability, destroys its dense packing system and lowers its wet packing compactness. However, the characteristics such as high toughness, and large elastic modulus of steel fibers endow FA-HPFRC with excellent mechanical properties, chloride resistance and shrinkage resistance. Especially steel fibers with 12 mm length perform well in improving the comprehensive performance of FA-HPFRC and increasing the cracking resistance 15.03% higher than that of 6 mm steel fibers. This research further improves FA-HPC's mechanical properties and durability, especially the shrinkage cracking resistance, and provides technical and theoretical support for the application of FA-HPFRC.

Rotation and deflection of 3D principal stress axes induced by a prefabricated single flaw in sandstone: A numerical investigation based on DEM

Fracture structure in the rock mass is an enduring research interest because of its negative impacts on the strength and safety of rocks. Therefore, a series of DEM simulations of two types of fractured sandstones are conducted based on the former published experimental test. It is proved that different fracture structures have various influences on the mechanical properties and failure patterns of sandstone samples, which lead to the redistribution of principal stress in surrounding rock. The main results and conclusions are as follows: 1) fractured sample without filler shows a relatively lower uniaxial compressive strength and a larger elastic modulus, and the flaw free surfaces make the secondary crack band illustrate a typical arc-shape distribution. 2) maximum principal stress concentrations in the open-type flawed sample occur at the left and right flaw tips, the corresponding axes show progressive deflection in the vertical direction, and the intermediate and minimum principal stress axes demonstrate various rotations as the positions move away from the flaw tip. 3) maximum principal stress axes in the cement-filled fractured sample are basically parallel to the external loading direction, the largest deflection occurs in the cement filler material, and the intermediate principal stress axes near the flaw tip are consistently vertical to the flaw strike direction. 4) initiation positions of tensile and shear cracks in the open-type flaw sample are different because of the non-negligible flaw thickness, while all secondary cracks start from the top and bottom tips of the cement-filled flaw.

The Influence of the Performance Parameters of Bimetal Composite Pipe on the Forming Efficiency

In order to solve the problem of low efficiency in the mechanical drawing process of bimetal composite pipe, a dynamic model of the forming process of bimetal composite pipe is established based on the principle of virtual work and the elastic-plastic deformation criterion. The influence of the material properties of the inner pipe and the outer pipe on the forming success rate is studied. The residual stress of the inner pipe and the outer pipe after forming is taken as the main evaluation object, and the elastic modulus and yield of the material are systematically analyzed The influence of strength on residual stress. The results show that the ratio of the elastic modulus of the inner tube to that of the outer tube is more than 0.6 times of the yield strength when the bimetal composite tube is formed, and the materials with large elastic modulus and small yield strength of the inner tube and small elastic modulus and large yield strength of the outer tube should be selected as far as possible. At last, the theory of material parameter proportion for the successful forming of inner tube and outer tube is put forward. The research conclusion is reasonable and universal, which provides a scientific basis for the selection of composite tube materials, and has engineering practical significance for improving the forming efficiency of bimetal composite tube.

The influence of nitrogen proportion on the mechanical property of Fe–Ni alloy at extreme pressure

Proportions of doping elements is one of the important factors influencing the physical properties of the alloy. In this work, ab initio electronic calculations, applying density-functional theory, was used to investigate the mechanical properties of Fe–Ni–N alloys under the extreme pressure. Firstly, the stability of Fe11Ni3N2, Fe10Ni3N3, Fe9Ni3N4 and Fe8Ni3N5 alloys were estimated using binding energy and elastic constants. Fe11Ni3N2 and Fe9Ni3N4 were both stable basing on the Born criterion. Secondly, the density of Fe11Ni3N2 and Fe9Ni3N4 were smaller than that of Fe and closed to the one of preliminary reference earth model(PREM). The elastic properties of Fe11Ni3N2 and Fe9Ni3N4 which are stable were analyzed under pressure 130–360 GPa. The higher the proportion of N in ferroalloys, the larger elastic modulus and the faster the shear velocity (Vs).