Elastic Anisotropy Research Articles

Mechanical Characterization of Pultruded GFRP Round Tube under Axial Loading

Abstract: Pultruded Fibre‐Reinforced Polymer profiles are widely used as structural elements in many civil infrastructure applications. However, the anisotropic elasticity and the application‐driven slenderness make these profiles prone to local buckling failure, well below their ultimate load capacity. In this paper, an experimental study was undertaken to characterise the tensile and compressive failure of GFRP round tube under axial loading. Based on the research focus of GFRP structures, this work will present a comprehensive study of the mechanical properties of GFRP tubes in terms of both tensile and compressive loads and investigate the mechanical parameters. This paper presents an investigation on the mechanical properties of pultruded Glass fiber reinforced polymer (GFRP) round tubes for structures subjected to tensile and compressive axial loading. The tensile and compressive strength of GFRP round tubes were first tested. For the stability under compression, the slenderness ratio 6 is adopted. The results show that the tensile strength of GFRP tube could reach 580 MPa, while the compressive strength has been around 72% of tensile strength. Also Experimental results showed that specimens exhibited linearly elastic up to failure. Compared with the single tensile failure mode of GFRP tubes, two types of compressive failure modes, including micro-buckling and local buckling were observed. Moreover, a finite element (FE) analysis was carried to simulate the tensile and compressive behaviours of round tube specimen. The comparison between the tensile and compressive peak load values obtained experiment and FE methods revealed that their difference is less than 5%. These indicated that FE analysis predicted reasonably the actual tensile and compressive behaviours of the pultruded GFRP round tube.

Distorted dislocation cores and asymmetric glide resistances in titanium

The determination of Critical Resolved Shear Stress (CRSS) in titanium for basal, prismatic, and pyramidal slip-planes without empirical constants is presented by combining Density Functional Theory (DFT) and anisotropic elasticity. A new mechanism leading to tension-compression (T-C) asymmetry in the CRSS levels has been revealed for the first time. The conditions for this asymmetry are established, involving a complex interplay between the dislocation core-structure and core-advance behavior. The three conditions for T-C asymmetry that need to be simultaneously satisfied can be summarized as: (1) a medium stacking fault width, d, (3<d/bF<10, where bF is the magnitude of the Burgers vector of the full dislocation), (2) an asymmetric core-structure of the extended dislocation (ξ1≠ξ2, where ξ1 and ξ2 are the core-widths of the first and second partials, respectively), and (3) intermittent motion of the partials (Δd/bF≠0, where Δd is the magnitude of fluctuation in stacking fault width during intermittent motion). Pyramidal-slip in titanium satisfies all three conditions, resulting in significant T-C asymmetry. The CRSS theory considers a Wigner-Seitz (W-S) cell based domain area assigned to each lattice site for the calculations of core-energies accurately capturing the slip-plane lattice. The W-S based approach is essential due to the lower symmetry of the HCP crystal circumventing potential errors associated with the one-dimensional atomic-row approximation. Dislocation core structures are obtained for all the slip-systems in titanium showing significant distortion of the disregistry profile governing the core-advance behavior. The CRSS values predicted from the theory show agreement with the experimental CRSS levels reported in the literature.

An anisotropic rock physics modeling for the coalbed methane reservoirs and its applications in anisotropy parameter prediction

The elastic properties and anisotropy of coalbed methane reservoirs are still poorly understood due to the complicated pore structure and the existing state of the coalbed methane. Therefore, an anisotropic rock physics model for the coalbed methane reservoirs is proposed based on the related effective medium theories, which focuses on the equivalent calculation of the elastic properties for adsorbed coalbed methane and the characterization of the multiple pore structure. Many factors related to the elastic properties of coal are considered, including the composition, pore structure, adsorbed gas content and pore fluid. The measured ultrasonic and well-logging data demonstrate that the proposed physics model is effective in predicting the elastic constants and velocity anisotropy parameters. The results suggest that the elastic constants increase with the increase of adsorbed gas content to some extent, and the effect of porosity on the elastic constants is much more obvious than that of adsorbed gas content. The velocity anisotropy parameters increase with the aligned fracture porosity and the fracture aspect ratio, and the P-wave anisotropy is more sensitive to these two factors. With increasing organic matter and clay content and porosity, Young's modulus and brittleness index decrease while the Poisson's ratio increases, and the impact of the porosity on the brittleness index is more significant than that of organic matter and clay content. The results are helpful in establishing the relationship between reservoir physics parameters and seismic response and can provide a basis for coalbed methane reservoir prediction and hydraulic fracturing.

Pressure dependent physical properties of a potential high-TC superconductor ScYH6: Insights from first-principles study

Cubic ScYH6 is elastically and thermodynamically stable within the pressure range considered. Moreover, the compound is brittle. The elastic anisotropy of ScYH6 is low and the machinability index is moderate which increases gradually with rising pressure. It is a hard material. The electronic band structure shows weakly metallic character with low density of states at the Fermi level. The Debye temperature of the compound is high and increases with increasing pressure. The Grüneisen parameter of ScYH6 is low and the phonon thermal conductivity is high at room temperature. The compound is a very efficient reflector of infrared radiation. ScYH6 is also an efficient absorber of visible and ultraviolet light. We have investigated the pressure induced changes in the predicted superconducting state properties. The superconducting transition temperature is found to increase slowly with increasing pressure.

DFT insight into structural, mechanical, electronic, optical and thermal properties of eco-friendly perovskites CuXO3 (X= Al, In)

This report aims to investigate the structural, mechanical, optical, thermal, and electronic properties along with hardness of CuXO3 (X = Al, In) perovskites for the first time by using first-principles calculations within the density functional theory (DFT). The geometry of the both structures have been optimized by using Broyden-Fletcher-Goldfarb-Shanno (BFGS) minimization technique and confirmed as the cubic structure with the space group of P m‾ 3 m (No. 221). The studied lattice parameters of CuXO3 (X = Al, In) closely resemble with previous theoretical and experimental results. Both the compounds of CuXO3 (X = Al, In) under investigation are mechanically stable as the calculated elastic constants satisfy the Born stability criteria. The calculated value of Pugh's ratio, Poisson's ratio and Cauchy pressure confirm strong ductility behavior in contrast to brittleness of these compounds. The elastic anisotropy calculations confirm the anisotropic nature in CuAlO3 in contrast to isotropic nature as observed in CuInO3. CuAlO3 is predicted to be harder than that of CuInO3. CuInO3 shows the highest machinability index among studied compounds. The electronic band-structure and density of states ensure semiconducting nature in CuAlO3 whereas, CuInO3 reveals metallic nature. The investigation of optical properties reveals the prospective application of the entitled substances in a wide range of electronic and optoelectronic device uses. The title compounds could be used as thermal barrier coating materials (TBC) for exhibiting low thermal conductivity.

Hydrogen bonds and elastic anisotropy of nitrile molecular crystals: an investigation from first-principles

ABSTRACT Atomistic calculations based on semi-classical dispersion-corrected density functional theory were performed to investigate bonding and elastic properties of low temperature polymorphs of three nitrile molecular crystals. For that purpose, the DFT-PBE-D3ijk method, which account for both pair and three-body interactions, was applied. The analysis of Hirshfeld surfaces demonstrated that the (C-N…H) hydrogen bonds are the strongest and the dominant ones in the three nitrile molecular crystals. The latter were found to share a common structural feature, consisting of an antiparallel orientation of the terminal nitrile groups at their constituent molecules. Our prediction of the elastic properties demonstrated that malonitrile has the highest Young modulus and succinonitrile has the lower one. The three nitrile crystals are expected to have similar resistance to volume variation while succinonitrle is predicted to exhibit the lowest resistance to shape change. Otherwise, succinonitrile was found to be ductile while malononitrile and acetonitrile were shown to be brittle. Elasticity anisotropy analysis demonstrated that the directions of maximum Young’s modulus are always nearly parallel to the direction of alignment of strong (C-H…N) hydrogen bonds in the three nitrile crystals. The present analyses are relevant for understanding the structure and the properties of more complex high temperature phases.

First-principles investigation of elastic anisotropy and thermal transport property of transition metal monosilicides CrSi, TiSi, and ZrSi under pressure

In this paper, the influence of pressure on the elastic anisotropy and thermodynamics of CrSi, TiSi, and ZrSi monosilicides are investigated by the first-principles method. Those three alloys have elastic anisotropy, and the degree of anisotropy meets the relationships TiSi > ZrSi > CrSi. In addition, all the elastic anisotropy is enhanced with the increasing pressures. The melting point and Vicker’s hardness are investigated, and the results show that CrSi, TiSi, and ZrSi alloys may be promising high-temperature and hard materials. Furthermore, the lattice thermal conductivity is calculated by Slack’s equation only using the elastic properties. The pressure-dependent Debye temperature, Grüneisen parameter, and lattice thermal conductivity are systematically analyzed. Debye temperature enhances with increasing pressure while the Grüneisen parameter reduces with pressure. Consequently, the lattice thermal conductivity can be enhanced by the pressure, which benefits heat transportation. The calculation reveals that the pressure can effectively control the elastic anisotropy, Deby temperature, Grüneisen parameter, and the lattice thermal conductivity, which is useful for its practical application in industry.

Intergranular stress and plastic strain formation during laser scanning of additively manufactured stainless steel: An experimentally-driven thermomechanical simulation study

A novel experiment-driven modelling and simulation approach is proposed to study the formation of intergranular stresses and plastic strains during laser scanning of additively manufactured 316L stainless steel. Recently, laser scanning experiments were performed using a unique coupling between a continuous-wave laser and a scanning electron microscope. These experiments form the basis for the development of a thermo-elasto-viscoplastic polycrystal model endowed with the minimum necessary physics of the problem in order to facilitate simulating sufficiently large domains to obtain reasonable stress magnitudes. The case of a single laser line scan performed in vacuum is analyzed in detail. Polar dislocation density magnitudes and distribution predicted from the simulation are compared with those measured experimentally. Results reveal that for 93% of the grains in the lasered zone, a statistical measure of the predicted polar dislocation density (Nye’s) tensor lies within a factor of 2 (higher or lower) of the experimental one; this result sets a benchmark for future experiment-simulation comparisons. Subsequent investigation studies the origin of the local residual stresses and plastic strains. On the lasered surface, the grain surface-averaged normal residual stress component and plastic strain component along the scan direction reaches a value ∼1.7GPa and 0.04, respectively. The contribution of elastic anisotropy, plastic heterogeneity and strengthening due to microstructure refinement after laser scanning on the formation of stresses and plastic strains is studied in detail.

Fatigue Analysis of the Nickel-Based Superalloy Inconel 617 by Fatigue Experiments and EBSD Data-Based Finite Element Simulations in Correlation with E·m Theories

Nickel-based superalloys exhibit pronounced elastic anisotropy and, hence, the local grain orientation strongly affects the stress and strain distribution in the material under mechanical loadings. Therefore, the crack initiation and failure behaviour of components made from nickel-based superalloys are complex and hardly predictable. A better fundamental understanding of the phenomena that occur in nickel-based superalloys under a quasistatic and cyclic load is therefore desired. Previously, a continuum mechanics-based model has been successfully developed, considering the grain structure, the elastic anisotropy, and the Schmid factor, based on data from electron backscatter diffraction (EBSD). The E·m model was confirmed by the finite element method (FEM) simulations and experimental observations regarding the resulting average stresses and strains in the individual grains as well as the formation of slip bands under a quasistatic load with few restrictions. The behaviour under cyclic loadings has been investigated in this work to correlate the mechanical behaviour, simulated by the previously developed FE models, with the local stiffness and Schmid factors considering fatigue failure. For this purpose, the fatigue behaviour of Inconel 617 samples was characterised up to the high-cycle fatigue (HCF) regime, accompanied by EBSD measurements for stress amplitudes that resulted in strains close to the elastic–plastic regime. The EBSD data were used to create digital twins of the samples to simulate the mechanical reaction to a displacement similar to the associated strain of the fatigue tests. An analysis of the fractured samples by scanning electron microscopy was performed to retrace the location of the crack initiation supported by the EBSD measurements before and after fatigue testing. Two samples were investigated in detail that showed different fracture types. Sample 1 showed transcrystalline failure in a grain that showed a high Young’s modulus, Schmid factor, and resolved shear stress that indicates a failure due to the properties of the grain itself. In contrast, an intercrystalline failure was observed for sample 2 that showed large differences in the orientation and, hence, largely different mechanical properties in the area of failure as well. The observed failure types, the resulting stresses and strains calculated by the FE model, and the consideration of the E·m model showed an agreement of all the methods. Therefore, the findings of this work complement previous investigations of the mechanical behaviour of coarse-grained anisotropic nickel-based superalloys with a focus on the orientations of the grains towards the loading direction.

Johnson–Cook yield functions for cyclotetramethylene-tetranitramine (HMX) and cyclotrimethylene-trinitramine (RDX) derived from single crystal plasticity models

High-fidelity constitutive models are critical for accurate meso-scale continuum modeling and prediction of shock initiation of crystalline energetic materials (EMs). While empirically calibrated or atomistic-guided anisotropic elastoplastic models of EM such as cyclotetramethylene-tetranitramine (HMX) and cyclotrimethylene-trinitramine (RDX) capture important micromechanical phenomena (such as dislocation evolution, slip-resistance, and anisotropic elasticity), the computational cost of using anisotropic single-crystal plasticity models can become prohibitive for meso-scale computations of void-collapse and hotspot formation in microstructures. Thermo-mechanically representative, isotropic, pressure, temperature, and rate-dependent material constitutive models are practical alternatives for meso-scale simulations of the shock response of microstructures. To this end, this work constructs physically consistent isotropic plasticity from anisotropic single-crystal plasticity models for HMX and RDX. State-of-the-art crystal plasticity models for HMX and RDX are used to compute the stress states in single crystals oriented in three different directions relative to shocks generated by impact at velocities ranging from 100 to 1000 m/s. Post-shock von Mises stress fields for the three orientations are then used to calibrate the strain-rate hardening coefficient and the reference strain rate for a rate-dependent Johnson–Cook (JC) yield surface model. We compare the pressures and the post-shock von Mises stresses between the JC and the anisotropic models to show that the isotropic computations closely approximate the averaged deformation response of the three different crystal orientations. We then model the interaction of a shock generated by a 500 m/s impact with a 0.5 μm void and show that the pressures and the deviatoric stresses obtained using the isotropic model closely match those computed from anisotropic models for both HMX and RDX. The resulting isotropic J2 plastic flow model for HMX and RDX can be employed to perform meso-scale simulations for energy localization due to shear bands and void collapse in the two materials.

Enhancing mechanical properties of MgB2 superconductors through Nb substitution: A first-principles study

MgB2 has a wide range of applications as a crucial superconducting material in fields such as electronics and communications, but its weak mechanical properties limit its use in extreme environments such as high pressure. Therefore, this article explores the enhancement mechanism of the mechanical properties for MgB2 by substituting Mg sites with Nb element based on first principles. After substitution, NbB2 has better thermodynamic stability, and the introduction of Nb-d state enhances light absorption. In terms of mechanics, due to the higher electron accumulation density in the Nb–B bond and a shorter bond length (2.451 Å), the atomic interactions become tighter and stronger. As a result, both elastic constants and modulus are enhanced, exhibiting high stiffness, high compression resistance, etc. The spatial distribution of 3D elastic anisotropy is closer to a spherical shape and the universal anisotropy index (AU) tends to approach 0, which indicates the mechanical properties in all directions are more consistent, making it easier to predict and control. Meanwhile, the elastic modulus rises smoothly with increasing hydrostatic pressure and is not affected by lattice compression at low hydrostatic pressure. The change rate of B–B bond length is 6.8 % at 100 GPa, which becomes the main reason for the enhancement of mechanical properties. The article provides a theoretical foundation for the preparation of superconductors with excellent mechanical properties under extreme conditions.

Mechanical and thermoelectric response of 18-valence electron half-Heusler tellurides XFeTe (X=Ti, Hf): A theoretical perspective

To address growing global energy needs, half Heusler compounds offer a cost-effective and efficient solution for power generation applications. We present a study on the structural, electronic, magnetic, phonon, mechanical and thermoelectric (TE) properties of two hH tellurides, XFeTe (X= Ti, Hf) with 18 valence electrons. The investigation employs Density functional theory (DFT), Semi-classical Boltzmann transport equations (BTE), Quasi-harmonic approximation (QHA), Density functional perturbation theory (DFPT) and Deformation potential theory (DPT). The equilibrium lattice constants are determined to be 5.882 Å and 6.041 Å for TiFeTe and HfFeTe respectively. The electronic structures of TiFeTe and HfFeTe are modeled with generalised gradient approximation (GGA), revealing indirect band gaps of 0.93 eV and 0.79 eV, respectively. The conduction bands in TiFeTe and HfFeTe exhibit remarkably low effective masses of 0.72 me and 0.61 me, respectively, resulting in higher carrier relaxation times. The compounds are dynamically and mechanically stable. TiFeTe is ductile whereas HfFeTe is brittle. The elastic constants analysis suggests that these compounds exhibit stiffness, better hardness, elastic anisotropy and high melting point. TE parameters are investigated across a temperature range from 400 K to 1200 K. At room temperature, TiFeTe and HfFeTe exhibit lattice thermal conductivities of 25.43 Wm−1K−1 and 29.29 Wm−1K−1, respectively. At 1200 K, zT for the n-type, p-type compositions are 1.79, 1.11 for TiFeTe and 1.35, 1.06 for HfFeTe, respectively. The n-type composition not only exhibits superior TE performance compared to the p-type but also shows the peak zT at more feasible doping levels.

Phase diagram and physical properties anisotropy of strontianite

The physical properties and anisotropy of carbonates at high pressure are fundamental to understanding the deep carbon cycle and storage. Here, we redraw the phase diagram of strontianite (SrCO3) by first-principles calculations combined with lattice dynamics and study its physical properties and anisotropy at high pressure. The results show that there are only Pnma and Pmmn phases in SrCO3 in the entire Earth's mantle, and there is no R3m phase. The SrCO3 polymorphs have a large elastic anisotropy. SrCO3 polymorphs are a kind of carbonate with high density, low wave velocity, and low wave velocity anisotropy. The linear thermal expansion coefficient of SrCO3-Pmmn was obtained for the first time by using the linear elastic compression coefficient combined with the volume thermal expansion coefficient. The results are of great significance for understanding the high-pressure behavior of Sr-carbonates.

A microstructure-based parameterization of the effective anisotropic elasticity tensor of snow, firn, and bubbly ice

Abstract. Quantifying the link between microstructure and effective elastic properties of snow, firn, and bubbly ice is essential for many applications in cryospheric sciences. The microstructure of snow and ice can be characterized by different types of fabrics (crystallographic and geometrical), which give rise to macroscopically anisotropic elastic behavior. While the impact of the crystallographic fabric has been extensively studied in deep firn, the present work investigates the influence of the geometrical fabric over the entire range of possible volume fractions. To this end, we have computed the effective elasticity tensor of snow, firn, and ice by finite-element simulations based on 391 X-ray tomography images comprising samples from the laboratory, the Alps, Greenland, and Antarctica. We employed a variant of Eshelby's tensor that has been previously utilized for the parameterization of thermal and dielectric properties of snow and utilized Hashin–Shtrikman bounds to capture the nonlinear interplay between density and geometrical anisotropy. From that we derive a closed-form parameterization for all components of the (transverse isotropic) elasticity tensor for all volume fractions using two fit parameters per tensor component. Finally, we used the Thomsen parameter to compare the geometrical anisotropy to the maximal theoretical crystallographic anisotropy in bubbly ice. While the geometrical anisotropy clearly dominates up to ice volume fractions of ϕ≈0.7, a thorough understanding of elasticity in bubbly ice may require a coupled elastic theory that includes geometrical and crystallographic anisotropy.

Complete Set of Bounds for the Technical Moduli in 3D Anisotropic Elasticity

Complete Set of Bounds for the Technical Moduli in 3D Anisotropic Elasticity

Comparison of elastic properties of tectonic coals along the face and butt cleat directions

AbstractCoalbed methane is a hot spot for gas exploration at present, and fractures are widely developed in the coals. However, despite being essential for a number of geophysical applications such as reservoir prediction and hydraulic fracturing, the influence of fractures on the elastic properties and anisotropy of coals is still poorly understood. Therefore, three groups of cylindrical coals were drilled along the face and butt cleat directions to study the effects of pressure and fracture on the elastic properties and anisotropy of tectonic coals. The velocity along the face cleat direction is less sensitive to the pressure than that along the butt cleat direction due to the difference in compliant pore and fracture content. Coals display a strong directional dependence in petrophysical and elastic properties. The permeabilities and velocities of samples along the butt cleat direction are much lower than those along the face cleat direction. The fracture densities are quantitatively characterized by the theoretical model. The values along the face cleat direction are much smaller than those along the butt cleat direction. The influence of fractures on the elastic properties and anisotropy is comprehensively studied by theoretical and laboratory methods. The mineralogy and fracture effects are important factors to the elastic anisotropy of coals, the latter can be a dominant factor to the coal elastic anisotropy. The results can contribute to the understanding of the cleat system of coalbed methane reservoir and can provide a critical rock physics basis for micro‐seismic fracture monitoring and reservoir prediction.

Effect of solutes on texture evolution during grain growth in ZK60 alloy by phase field simulation

A three-dimensional (3D) multiscale phase field model was proposed to investigate the effect of Ca, Y and Al solutes on the texture evolution of ZK60 alloy during grain growth at 573 K under an applied compression stress of 270 MPa, in which the characteristics of the elastic anisotropy and grain boundary (GB) segregation caused by the solutes were taken into account. The results show that either Ca or Y addition can weaken the basal texture of ZK60, while Al addition enhances it. The deviation of the grain size distribution from the Hillert model becomes greater with the addition of Al, while Ca or Y addition reduces the deviation. The solute segregation-induced GB energy change has a very limited effect on the texture evolution compared with elastic anisotropy. The revealed mechanism is of great significance for the microstructure design of the ZK60 alloy by an appropriate alloying strategy.

Rock Anisotropy Promotes Hydraulic Fracture Containment at Depth

AbstractWe report laboratory experiments and numerical simulations demonstrating that the anisotropic characteristics of rocks play a major role in the elongation of hydraulic fractures (HFs) propagating in a plane perpendicular to the rocks' inherent layering (the bedding planes in sedimentary rocks and foliation planes in metamorphic rocks). Transverse anisotropy leads to larger HF extension in the parallel‐to‐layers/divider direction compared to the perpendicular‐to‐layers/arrester direction. This directly promotes vertical containment of HFs in most sedimentary basins worldwide even in the absence of any favorable in‐situ stress contrasts or other material heterogeneities. More importantly, the ratio of the energy dissipated in fluid viscous flow in the fracture to the energy dissipated in the creation of new surfaces is found to play a critical role on fracture elongation, with fracture‐energy dominated HFs being the most elongated while the viscous dominated ones remain more circular. These results open the door to a better engineering and control of HFs containment at depth in view of the competition between material anisotropy (both elastic stiffnesses and fracture toughness anisotropy) and injection parameters (fluid viscosity and rate of injection).

Couple-stress elasticity of intrinsic and extrinsic dislocations in three-dimensional multilayered materials

This work investigates the influence of couple stresses on intrinsic and extrinsic dislocations within three-dimensional heterogeneous multilayered structures. The materials consist of orthotropic and dissimilar layers with different elastic properties, incorporating the microstructural lengths from a special version of the anisotropic couple-stress elasticity. Double Fourier series expansions are used to describe extended displacements and tractions, considering rotation and couple-stress components and accounting for arbitrary displacement and rotation discontinuities associated with dislocation and disclination loops as well as periodic dislocation and disclination networks at semi-coherent interfaces. The dual-variable and position technique is used to recursively determine the field responses at any point in the multilayered laminate. The application examples focus on dislocation problems with couple stresses, revealing the effects of the core-spreading dislocation technique, free surfaces, anisotropic elasticity, and couple stresses on the field solutions. The analysis also uncovers pressure and von Mises stress amplitudes, non-zero rotation, and non-symmetric stress profiles due to couple stresses in copper/niobium bimaterials. Changes in the sign and magnitude of the Peach-Koehler forces are observed when couple stresses are introduced, which deviate from the classical theory of dislocations. The investigation finds a significant 29% reduction in energy per unit area at a semi-coherent interface between copper and niobium influenced by couple stresses. These results deepen our understanding of how couple stresses affect dislocation behavior in multilayered materials, and provide prospects for future discrete dislocation and disclination dynamics simulations with engineering applications in various nano- and micro-structured materials.

Electrical, optical and mechanical properties of monolayer MoTe2 for applications in wearable optoelectronic devices

Transition metal dichalcogenides (TMDs) have excellent optical and mechanical properties and have potential application value in wearable optoelectronic response devices. MoTe2, a representative material of TMDs, is studied by first-principles calculation in this paper. The results show that the MoTe2 monolayer has a direct band gap of 1.110eV, which has a strong light absorption capacity and can produce a high concentration of photogenerated charge carriers after light absorption. The material is soft and exhibits the unique mechanical properties of layered materials. The effects of biaxial strain and defects on the properties of the materials were analyzed. The results show that the biaxial compression strain can enhance the light absorption curve of the material, enhance the light absorption of the photogenerated carrier, and expand the range of its energy distribution. The tensile strain decreases the value of the photon absorption curve and decreases the range of energy distribution of photogenerated carriers. The Mo vacancy defect increases the absorption curve value in the low energy region and broadens the optical response range of the material. The two types of vacancy defects both induce a ‘discrete’ distribution of photogenerated carriers. The Mo vacancy significantly affects the elastic modulus and anisotropy properties of the material, resulting in the material changing from ductile to brittle. When Mo vacancy is added, the spatial distribution of the elastic modulus of the material also changes greatly. Therefore, MoTe2 has potential application in flexible optoelectronic devices, and its performance can be controlled by strains and defects.