Phase transition in bilayer MoS2under tensile loading: a molecular dynamics study.

Molybdenum disulfide (MoS2), especially single-layer MoS2, has been experimentally and computationally discovered to exist in several different polymorphs exhibiting various electronic and mechanical properties. The morphology of MoS2can be tuned through strain engineering. Molecular dynamics simulations are conducted to systematically study the phase transition of single-layer MoS2and bilayer MoS2under the uniaxial tensile condition at room temperature. The roles of edge and S-line vacancy are investigated. Phase transitions are always triggered near the edge and vacancy sites. The initiation of the metastable T″ phase can release the tensile stress in the lattice, followed by I4/mmm phase initiation, regardless of the edge conditions. The growth of the I4/mmm phase can cause the local buckling of the MoS2plane. With a tilted S-line vacancy, I4/mmm phase is first initiated to reduce the local shear stress accumulated near the vacancy line. Overall, the phase transition mechanism of single layer and bilayer MoS2under the uniaxial tensile loading is provided, which guides the future strain engineering of MoS2in nanoelectronics applications.

Characterizing the Mechanical and Viscoelastic Response of the Porcine Facet Joint Capsule Ligament in Response to a Simulated Impact.

The facet capsule ligament (FCL) is a structure in the lumbar spine that constrains motions of the vertebrae. Subfailure loads can produce microdamage resulting in increased laxity, decreased stiffness, and altered viscoelastic responses. Therefore, the purpose of this investigation was to determine the mechanical and viscoelastic properties of the FCL under various magnitudes of strain from control samples and samples that had been through an impact protocol. Two hundred FCL tissue samples were tested (20 control and 180 impacted). Impacted FCL tissue samples were obtained from functional spinal units that had been exposed to one of nine subfailure impact conditions. All specimens underwent the following loading protocol: preconditioning with five cycles of 5% strain, followed by a 30 s rest period, five cycles of 10% strain, and 1 cycle of 10% strain with a hold duration at 10% strain for 240 s (4 min). The same protocol was followed for 30% and 50% strain. Measures of stiffness, hysteresis, and force-relaxation were computed. No significant differences in stiffness were observed for impacted specimens in comparison to control. Impacted specimens from the 8 g flexed and 11 g flexed and neutral conditions exhibited greater hysteresis during the cyclic-30% and cyclic-50% portion of the protocol in comparison to controls. In addition, specimens from the 8 g and 11 g flexed conditions resulted in greater stress decay for the 50%-hold conditions. Results from this study demonstrate viscoelastic changes in FCL samples exposed to moderate and highspeed single impacts in a flexed posture.

The Limits of Electromechanical Coupling in Highly-Tensile Strained Germanium.

Speculations regarding electronic and photonic properties of strained germanium (Ge) have perpetually put it into contention for next-generation devices since the start of the information age. Here, the electromechanical coupling of <111> Ge nanowires (NWs) is reported from unstrained conditions to the ultimate tensile strength. Under tensile strain, the conductivity of the NW is enhanced exponentially, reaching an enhancement factor of ∼130 at ∼3.5% of strain. Under strains larger than ∼2.5%, the electrical properties of Ge also exhibit a dependence on the electric field. The conductivity can be further enhanced by ∼2.2× with a high bias condition at ∼3.5% of strain. Cyclic loading tests confirm that the observed electromechanical responses are repeatable, reversible, and related to the changing electronic band structure. These tests reveal the excellent prospects for utilizing strained Ge NWs in photodetector or piezoelectronic transistor applications, but significant challenges remain to realize strict direct band gap devices.

Load-deformation behaviour of weft-knitted textile reinforced concrete in uniaxial tension.

Weft-knitted textiles offer many advantages over conventional woven fabrics since they allow the fabrication of doubly curved geometries without the need of stitching multiple patches together. This study investigated the use of high-strength continuous fibres as knitted textile reinforcement, focusing on various knitting patterns, fibre materials, coating types and spatial features to enhance the bond conditions between concrete and reinforcement. The bond is of particular interest since the contact surface of knitted textiles is fundamentally different due to their closed surface, compared to commercially available textile reinforcement, which is normally formed as orthogonally woven grids of rovings. An experimental campaign consisting of 28 textile-concrete composites was conducted, where digital image correlation-based measurements were used to assess the load-deformation behaviour and to analyse the crack kinematics. The results showed a beneficial post-cracking behaviour for epoxy coated configurations with straight inlays. The comparison of these configurations with conventional textile reinforcement generally showed a similar behaviour, but with higher utilisation compared to the filament strength. The Tension Chord Model, which assumes a constant bond stress-slip relationship, was adapted for the specific geometry of the knitted reinforcement, and it was used for the estimation of bond stresses and a post-diction of the experimental results, generally showing a good agreement.

Do mechanical properties of human fetal membrane depend on strain rate?

AIM: The objective of this study was to examine the effect of strain rate on the mechanical properties of human fetal membranes. METHODS: Different strain rates were employed to quantify the stress-strain relation of the chorioamnion membrane. The mechanical properties of nine human amnion membranes, four collected from cesarean delivery and five collected from normal vaginal delivery, were examined in uniaxial tension tests under strain rates of 0.1, 1 and 10%/min. RESULTS: Statistical analysis revealed significant (P < 0.05) correlation between the change in strain rate and the elastic modulus as well as failure strain of amnion samples. The rupture stress, though, did not show dependency on strain rates. CONCLUSION: Human chorioamnion is strongly viscoelastic. By increasing the rate of the test, the stiffness of amnion increases considerably.

Comparison of the Biomechanical Properties between Healthy and Whole Human and Porcine Stomachs.

Gastric cancer poses a societal and economic burden, prompting an exploration into the development of materials suitable for gastric reconstruction. However, there is a dearth of studies on the mechanical properties of porcine and human stomachs. Therefore, this study was conducted to elucidate their mechanical properties, focusing on interspecies correlations. Stress relaxation and tensile tests assessed the hyperelastic and viscoelastic characteristics of porcine and human stomachs. The thickness, stress-strain curve, elastic modulus, and stress relaxation were assessed. Porcine stomachs were significantly thicker than human stomachs. The stiffness contrast between porcine and human stomachs was evident. Porcine stomachs demonstrated varying elastic modulus values, with the highest in the longitudinal mucosa layer of the corpus and the lowest in the longitudinal intact layer of the fundus. In human stomachs, the elastic modulus of the longitudinal muscular layer of the antrum was the highest, whereas that of the circumferential muscularis layer of the corpus was the lowest. The degree of stress relaxation was higher in human stomachs than in porcine stomachs. This study comprehensively elucidated the differences between porcine and human stomachs attributable to variations across different regions and tissue layers, providing essential biomechanical support for subsequent studies in this field.

Prediction of Biaxial Properties of Elastomers and Appropriate Data Processing.

An equibiaxial tension test could be necessary to set up hyperelastic material constants for elastomers exactly. Unfortunately, very often, only uniaxial tension experimental data are available. It is possible to use only uniaxial data to compute hyperelastic constants for a hyperelastic model, but the prediction of behavior in different deformation modes (as is equibiaxial or pure shear) will not work correctly with this model. It is quite obvious that there is some relation between uniaxial and equibiaxial behavior for the elastomers. Thus, we could use uniaxial data to predict equibiaxial behavior. If we were able to predict (at least approximately) equibiaxial data, then we could create a hyperelastic model usable for the general prediction of any deformation mode of elastomer. The method of the appropriate processing of experimental data for such prediction is described in the article and is verified by the comparison with the experiment. The presented results include uniaxial and equibiaxial experimental data, the created average curve of both the deformation modes, and the predicted equibiaxial data. Using Student's t-test, a close coincidence of the real and predicted equibiaxial data was confirmed.

Microstructure-Based Multiscale Modeling of Deformation in MarBN Steel under Uniaxial Tension: Experiments and Finite Element Simulations.

In the current work, a multiscale model was developed coupling a macro-model with the macromechanical physically based yield strength and a crystal plasticity model with micromechanical properties and realistic grain orientation based on the representative volume element. The simulation results show that the effect of microstructure on the macromechanical properties can be considered in the macro constitutive model due to a good consistency between experimental and computed results; whereas solid strengthening, grain boundaries, and dislocation density played a more crucial role than others. Besides coupling simulation and microstructure by EBSD, the microstructure evolution can be well explained by the micromechanical model. Strain is related to the grain orientation, leading to inhomogeneous deformation, forming the various Schmid factor and slip systems. A plastic strain occurs close to the grain boundaries and declines into the grain, resulting in higher kernel average misorientation (KAM) and geometry necessary dislocations (GNDs) in the grain boundaries. The higher the loading, the higher the local strain. Shear bands with around 45 degrees can be formed, resulting in crack initiation and tensile shear failure. This work has developed the guidance of structural integrity assessment and prediction of mechanical properties for the engineering material and components.

Characterization of hardness and elastic modulus using nanoindentation and correlation with wear behavior of UHMWPE during uniaxial tension.

UHMWPE is the material of choice for bearing surfaces in total joint arthroplasty making its wear and mechanical properties important factors of contribution in longevity of prosthetic hip/knee implants. In this study, the variation of hardness and elastic modulus with applied load in textured UHMWPE has been investigated. Texture has been induced through uniaxial tension of UHMWPE modifying its microstructure which in turn influences the wear resistance and hence the mechanical properties of the material. Previous studies have shown hardness to be a major factor influencing wear resistance. However, recently, the ratio of hardness (H) to elastic modulus (E) has been recognized as a more influential parameter of wear resistance. The validity of predicting wear resistance using H/E ratio has been examined in this work. Power law variation with load for the bioimplant material UHMWPE has been investigated at different strain levels. It has been observed that power law exponent of 2 can only be achieved at higher load levels. Overall, this work provides an insight into influencing the properties of bioimplant material UHMWPE by modifying the microstructure of the material through inducing texture which ultimately affects the longevity of the prosthetic implants.

Experimental Study on Toughness of Engineered Cementitious Composites with Desert Sand.

In this paper, engineered cementitious composites (ECCs) were prepared with desert sand instead of ordinary sand, and the toughness properties of the ECCs were studied. The particle size of the desert sand was 0.075-0.3 mm, which is defined as ultrafine sand. The ordinary sand was sieved into one control group with a size of 0.075-0.3 mm and three other reference groups. Together with the desert sand group, a total of five groups of ECC specimens were created. Through a uniaxial tensile test, three-point bending test and single-seam tensile test on the ECC specimens, the influence of aggregate particle size and sand type on the ECC tensile strength, deformation capacity, initial crack strength, cement-matrix-fracture toughness, multiple cracking characteristics and strain-hardening properties were studied. The experimental results show that the 28d tensile strain of the four groups of the ordinary sand specimens was 8.13%, 4.37%, 4.51% and 4.23%, respectively, which exceeded 2% and satisfied the requirements for the minimum strain of the ECCs. It is easier to achieve the ECC strain hardening with sand with a fine particle size; thus, a particle size below 0.3 mm is preferred when preparing the ECCs to achieve a high toughness. The multiple cracking performance (MCP) and the pseudostrain hardening (PSH) of desert sand and ordinary sand with a 0.075-0.3 mm grain size were 2.88 and 2.33, and 8.76 and 8.17, respectively, all of which meet the strength criteria and energy criteria and have similar properties. The tensile strength and tensile deformation of the desert sand group were 4.97 MPa and 6.78%, respectively, and the deformation capacity and strain-strengthening performance were outstanding. It is verified that it is feasible to use desert sand instead of ordinary sand to prepare the ECCs.

Molecular Dynamics Studies of the Mechanical Behaviors and Thermal Conductivity of Polyisoprene with Different Degrees of Polymerization.

Polyisoprene, with a high degree of polymerization, is the main component of natural rubber. In the industrial production process, it is necessary to adjust the length of the macromolecule of polyisoprene to improve its plasticity. It is thus of vital importance to explore the effect of the degree of polymerization of polyisoprene on its properties, e.g., mechanical property and thermal property. Molecular dynamics simulations link microstructure to macroscopic properties. In this paper, Moltemplate was used to establish polyisoprene models with different degrees of polymerization, and the mechanical properties of polyisoprene under uniaxial tension were analyzed under an OPLS all-atom force field. The results showed that the strength and elastic modulus of the material increased with the increase in the degree of polymerization of the molecular chain. In the process of tensile loading, the non-bonded potential energy played a dominant role in the change of the total system potential energy. Then, the thermal conductivity of polyisoprene with different degrees of polymerization was calculated by the non-equilibrium molecular dynamics method (NEMD). The thermal conductivity of PI was predicted to converge to 0.179 W/(m·K). The mechanism of thermal conductivity of the polymer containing branched chains was also discussed and analyzed. The research content of this paper aims to provide theoretical support for improving the mechanical and thermal properties of natural rubber base materials.

Revealing mechanical property-strengthening micro-mechanism of Ni/Ni3Al-based alloys by molecular dynamics simulation.

In this study, the Ni/Ni3Al-based alloys were proposed, and their microstructures were established. Uniaxial tension was performed based on the γ' phase precipitates of alloys with different shape ratio by means of molecular dynamics (MD) simulations. We demonstrate that the crystal distortion induced by the transition from FCC to disordered structure can lead to the reduction of tensile strength. Besides, the structure, temperature, and strain rate effects on the mechanical properties were clarified, and the microscale mechanism was revealed. The results indicated that compared with Ni/Ni3Al structure with a γ' phase precipitate shape ratio of 1:1:1, the tensile strength of the structure with a shape ratio of 1:2:1 is smaller, and the mechanical property-strengthening effect is significantly determined by the structures of the γ' phase precipitates; besides, there is a clear secondary strengthening in the tensile process of Ni/Ni3Al structure with a γ' phase precipitate shape ratio of 2:1:2 due to the formation of disordered structures. The elastic modulus and tensile strength of the models with different γ' phase precipitates shape ratios all decrease with the increase of temperature, under the conditions of low strain rate; the tensile strength of the alloys decreases with the decrease of strain rate.

Macromolecule simulation studies on mechanical properties and CH4/CO2 adsorption characteristics in bituminous coal matrix based on uniaxial tension-compression effect.

With the increasing complication of production and geology conditions, and the increase of mining intensity and depth in coal mine, the coal structure presents varying degrees of deformation. In order to study the influence of uniaxial tension-compression effect on mechanical properties of coal matrix and CH4/CO2 adsorption characteristics, a macromolecular model reflecting the realistic bituminous coal structure was established. Results demonstrate that the influence of tension strain on the microporous structural parameters is greater than that of compression strain, and the tension strain weakens the mechanical properties but enhances the adsorbates adsorption amount. For the pure gases adsorption, there is a negative linear correlation between the total energy and adsorption amount. Additionally, the strain ranging from -0.20 to 0.20, the distribution of punctated adsorbates density develops to that of banded adsorbates density, and the mean adsorption density and saturated adsorption amount increase linearly. For the binary components adsorption (1:1), the CH4 adsorption strength increases while the CO2 adsorption strength slightly decreases. The minimum of total energy decreases in a quadratic polynomial relationship with the strain, and the proportion of van der Waals energy is 75.8-85.5%. Nevertheless, the competitive adsorption and strain have little effect on the potential energy range of the adsorbates. Furthermore, the diffusibility of CO2 molecular layers is relatively good, and the strain enhances the stability of CH4 molecular layers for the saturated binary adsorption. The findings provide essential guidance for the improvement of carbon capture and storage and CO2-enhanced coalbed methane technologies in the deformation area of coal seam.

Three-dimensional anisotropic hyperelastic constitutive model describing the mechanical response of human and mouse cervix.

The mechanical function of the uterine cervix is critical for a healthy pregnancy. During pregnancy, the cervix undergoes significant softening to allow for a successful delivery. Abnormal cervical remodeling is suspected to contribute to preterm birth. Material constitutive models describing known biological shifts in pregnancy are essential to predict the mechanical integrity of the cervix. In this work, the material response of human cervical tissue under spherical indentation and uniaxial tensile tests loaded along different anatomical directions is experimentally measured. A deep-learning segmentation tool is applied to capture the tissue deformation during the uniaxial tensile tests. A 3-dimensional, equilibrium anisotropic continuous fiber constitutive model is formulated, considering collagen fiber directionality, fiber bundle dispersion, and the entropic nature of wavy cross-linked collagen molecules. Additionally, the universality of the material model is demonstrated by characterizing previously published mouse cervix mechanical data. Overall, the proposed material model captures the tension-compression asymmetric material responses and the remodeling characteristics of both human and mouse cervical tissue. The pregnant (PG) human cervix (mean locking stretch ζ=2.4, mean initial stiffness ξ=12 kPa, mean bulk modulus κ=0.26 kPa, mean dispersion b=1.0) is more compliant compared with the nonpregnant (NP) cervix (mean ζ=1.3, mean ξ=32 kPa, mean κ=1.4 kPa, mean b=1.4). Creating a validated material model, which describes the role of collagen fiber directionality, dispersion, and crosslinking, enables tissue-level biomechanical simulations to determine which material and anatomical factors drive the cervix to open prematurely. STATEMENT OF SIGNIFICANCE: In this study, we report a 3D anisotropic hyperelastic constitutive model based on Langevin statistical mechanics and successfully describe the material behavior of both human and mouse cervical tissue using this model. This model bridges the connection between the extracellular matrix (ECM) microstructure remodeling and the macro mechanical properties change of the cervix during pregnancy via microstructure-associated material parameters. This is the first model, to our knowledge, to connect the the entropic nature of wavy cross-linked collagen molecules with the mechanical behavior of the cervix. Inspired by microstructure, this model provides a foundation to understand further the relationship between abnormal cervical ECM remodeling and preterm birth. Furthermore, with a relatively simple form, the proposed model can be applied to other fibrous tissues in the future.

Tendon grafts with preserved muscle demonstrate similar biomechanical properties to tendon grafts stripped of muscular attachments: a biomechanical evaluation in a porcine model.

PURPOSE: (1) To evaluate the biomechanical properties of a porcine flexor digitorum superficialis tendon graft with preserved muscle fibers and (2) to compare these results with the biomechanical properties of a porcine tendon graft after removal of associated muscle. METHODS: Eighty-two porcine forelegs were dissected and the flexor digitorum superficialis muscle tendons were harvested. The study comprised of two groups: Group 1 (G1), harvested tendon with preserved muscle tissue; and Group 2 (G2), harvested contralateral tendon with removal of all muscle tissue. Tests in both groups were conducted using an electro-mechanical material testing machine (Instron, model 23-5S, Instron Corp., Canton, MA, USA) with a 500 N force transducer. Yield load, stiffness, and maximum load were evaluated and compared between groups. RESULTS: The behavior of the autografts during the tests followed the same stretching, deformation, and failure patterns as those observed in human autografts subjected to axial strain. There were no significant differences in the comparison between groups for ultimate load to failure (p = 0.105), stiffness (p = 0.097), and energy (p = 0.761). CONCLUSION: In this porcine model biomechanical study, using autograft tendon with preserved muscle showed no statistically significant differences for yield load, stiffness, or maximum load compared to autograft tendon without preserved muscle. The preservation of muscle on the autograft tendon did not compromise the mechanical properties of the autograft. LEVEL OF EVIDENCE: Level III Controlled laboratory study.

Constitutive models and failure properties of fibrous tissues of carotid artery atheroma based on their uniaxial testing.

To obtain an experimental background for the description of mechanical properties of fibrous tissues of carotid atheroma, a cohort of 141 specimens harvested from 44 patients during endarterectomies, were tested. Uniaxial stress-strain curves and ultimate stress and strain at rupture were recorded. With this cohort, the impact of the direction of load, presence of calcifications, specimen location, patient's age and sex were investigated. A significant impact of sex was revealed for the stress-strain curves and ultimate strains. The response was significantly stiffer for females than for males but, in contrast to ultimate strain, the strength was not significantly different. The differences in strength between calcified and non-calcified atheromas have reached statistical significance in the female group. At most of the analysed stress levels, the loading direction was found significant for the male cohort which was also confirmed by large differences in ultimate strains. The representative uniaxial stress-strain curves (given by median values of strains at chosen stress levels) were fitted with an isotropic hyperelastic model for different groups specified by the investigated factors while the observed differences between circumferential and longitudinal direction were captured by an anisotropic hyperelastic model. The obtained results should be valid also for the tissue of the fibrous cap, the rupture of which is to be predicted in clinics using computational modelling because it may induce arterial thrombosis and consequently a brain stroke.

Bovine Pericardium of High Fibre Dispersion Has High Fatigue Life and Increased Collagen Content; Potentially an Untapped Source of Heart Valve Leaflet Tissue.

Bioprosthetic heart valves (BHVs) are implanted in aortic valve stenosis patients to replace the native, dysfunctional valve. Yet, the long-term performance of the glutaraldehyde-fixed bovine pericardium (GLBP) leaflets is known to reduce device durability. The aim of this study was to investigate a type of commercial-grade GLBP which has been over-looked in the literature to date; that of high collagen fibre dispersion (HD). Under uniaxial cyclic loading conditions, it was observed that the fatigue behaviour of HD GLBP was substantially equivalent to GLBP in which the fibres are highly aligned along the loading direction. It was also found that HD GLBP had a statistically significant 9.5% higher collagen content when compared to GLBP with highly aligned collagen fibres. The variability in diseased BHV delivery sites results in unpredictable and complex loading patterns across leaflets in vivo. This study presents the possibility of a shift from the traditional choice of circumferentially aligned GLBP leaflets, to that of high fibre dispersion arrangements. Characterised by its high fatigue life and increased collagen content, in addition to multiple fibre orientations, GLBP of high fibre dispersion may provide better patient outcomes under the multi-directional loading to which BHV leaflets are subjected in vivo.

Width Dependent Elastic Properties of Graphene Nanoribbons.

The mechanical response of graphene nanoribbons under uniaxial tension, as well as its dependence on the nanoribbon width, is presented by means of numerical simulations. Both armchair and zigzag edged graphene nanoribbons are considered. We discuss results obtained through two different theoretical approaches, viz. density functional methods and molecular dynamics atomistic simulations using empirical force fields especially designed to describe interactions within graphene sheets. Apart from the stress-strain curves, we calculate several elastic parameters, such as the Young's modulus, the third-order elastic modulus, the intrinsic strength, the fracture strain, and the Poisson's ratio versus strain, presenting their variation with the width of the nanoribbon.

Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal.

This paper presents a molecular dynamics study of how the localization and transfer of excess atomic volume by structural defects affects the evolution and self-healing of nanosized cracks in bcc iron single crystals under different mechanical loading conditions at room temperature. It is shown that deformation is initially accompanied by a local growth of the atomic volume at the crack tips. The crack growth behavior depends on whether the excess atomic volume can be transferred by structural defects from the crack tips to the free surface or other interfaces. If an edge crack is oriented with respect to the loading direction so that dislocations are not emitted from its tip or only twins are emitted, then the sample undergoes a brittle-ductile fracture. The transfer of the excess atomic volume by dislocations from the crack tips prevents the opening of edge cracks and is an effective healing mechanism for nanocracks in a mechanically loaded material.

Right ventricular myocardial mechanics: Multi-modal deformation, microstructure, modeling, and comparison to the left ventricle.

The right ventricular myocardium, much like the rest of the right side of the heart, has been consistently understudied. Presently, little is known about its mechanics, its microstructure, and its constitutive behavior. In this work, we set out to provide the first data on the mechanics of the mature right ventricular myocardium in both simple shear and uniaxial loading and to compare these data to the mechanics of the left ventricular myocardium. To this end, we tested ovine tissue samples of the right and left ventricle under a comprehensive mechanical testing protocol that consisted of six simple shear modes and three tension/compression modes. After mechanical testing, we conducted a histology-based microstructural analysis on each right ventricular sample that yielded high resolution fiber distribution maps across the entire samples. Equipped with this detailed mechanical and histological data, we employed an inverse finite element framework to determine the optimal form and parameters for microstructure-based constitutive models. The results of our study show that right ventricular myocardium is less stiff then the left ventricular myocardium in the fiber direction, but similarly exhibits non-linear, anisotropic, and tension/compression asymmetric behavior with direction-dependent Poynting effect. In addition, we found that right ventricular myocardial fibers change angles transmurally and are dispersed within the sheet plane and normal to it. Through our inverse finite element analysis, we found that the Holzapfel model successfully fits these data, even when selectively informed by rudimentary microstructural information. And, we found that the inclusion of higher-fidelity microstructural data improved the Holzapfel model's predictive ability. Looking forward, this investigation is a critical step towards understanding the fundamental mechanical behavior of right ventricular myocardium and lays the groundwork for future whole-organ mechanical simulations.