Mechanical Strain Research Articles

Exploring electronic characteristics of bilayer HfS2 under mechanical strain and external electric field: a first-principles approach

This study employed the density functional theory (DFT) to explore the dynamic stability of different stacking configurations of bilayer HfS2 (2L-HfS2) and the influence of external conditions on its electronic properties. These results indicate that the AA configuration is the most stable among the various stacking configurations. Calculations of the carrier effective mass revealed that the artificially stacked 2L-HfS2 maintained a small effective mass of electrons and holes and exhibited high carrier mobility. Further investigation revealed diverse trends in the electronic properties of 2L-HfS2 under vertical strain, in-plane strain, shear strain, and an applied external electric field. These variations encompass bandgap size alterations, band structure evolution, and transitions in the metallic behavior. This systematic study elucidates the regulatory effects of different strains and external electric field conditions on the electronic properties of 2L-HfS2, thereby providing a vital theoretical foundation and experimental guidance for its application in electronics and optoelectronics.

Tuning optical properties of palgraphyne under biaxial mechanical strain: A density functional theory investigation

Palgraphyne is a two-dimensional material of carbon atoms with sp2 and sp hybridization. The influence of the biaxial mechanical strain on its optical properties is studied based on density functional theory calculations. It is observed that palgraphyne exhibits anisotropic behavior for photons with parallel and perpendicular polarizations. The dielectric constant of palgraphyne is higher than graphene. It has been found that biaxial tensile and compressive strains lead to an increase and decrease in the dielectric constant, respectively. The absorption spectra of palgraphyne sheet across the infrared to ultraviolet regions suggest that it has the potential to be a valuable material for utilization as absorber. Additionally, the reflection and transmission constants indicate that the sheet displays high transparency specially in the ultraviolet region. The peaks of optical quantities including dielectric constant, absorption coefficient, optical coefficient, reflection and transmission constants are moved to lower and higher energies under tensile and compressive strains, respectively. The anticipated results could make palgraphyne a candidate for optoelectronic applications.

3D Printed MXene-Based Wire Strain Sensors with Enhanced Sensitivity and Anisotropy.

Stretchable strain sensors play a crucial role in intelligent wearable systems, serving as the interface between humans and environment by translating mechanical strains into electrical signals. Traditional fiber strain sensors with intrinsic uniform axial strain distribution face challenges in achieving high sensitivity and anisotropy. Moreover, existing micro/nano-structure designs often compromise stretchability and durability. To address these challenges, a novel approach of using 3D printing to fabricate MXene-based flexible sensors with tunable micro and macrostructures. Poly(tetrafluoroethylene) (PTFE) as a pore-inducing agent is added into 3D printable inksto achieve controllable microstructural modifications. In addition to microstructure tuning, 3D printing is employedfor macrostructural design modifications, guided by finite element modeling (FEM) simulations. As a result, the 3D printed sensors exhibit heightened sensitivity and anisotropy, making them suitable for tracking static and dynamic displacement changes. The proposed approach presents an efficient and economically viable solution for standardized large-scale production of advanced wire strain sensors.

Capillary Condensation Mediated Fluidic Straining for Enhanced Bacterial Inactivation

AbstractBiomaterials capable of continuously inactivating pathogens are essential for suppressing transmission of infectious diseases, such as epidemic cerebrospinal meningitis and pulmonary tuberculosis. Here, capillary condensation of air moisture within nano‐confined spaces between superhydrophilic rigid nanorods is shown and target microbiology spontaneously stretch and inactivate aerosolized microorganisms. Specifically, the negative Gaussian curvature‐shaped water condensate causes fluidic straining, comprising surface tension and Laplace pressure, strong enough to deform and eliminate the selected bacteria. Plate counting quantifies the sharply reduced contact‐killing period for superhydrophilic and bare nanorods (6 vs 100 min for E. coli, 20 vs 120 min for S. aureus) under relative humidity of 70%. Theoretical calculations and experimental studies indicate increased mechanical straining and mechano‐bactericidal by improving air moisture content. To further illustrate utility, long‐term antibacterial medical masks are fabricated by integrating such nanorods onto commercial fabrics. Collectively, these findings highlight the immense potential of capillary condensation‐induced fluidic straining as an eco‐friendly, broad‐spectrum, and highly efficient antibacterial strategy.

Strain effects on electronic and dynamical properties of half-Heusler semiconductors: insights from Meta-GGA

In this study, we investigated the effects of mechanical strain, including both tensile and compressive strains, on the electronic properties and dynamical stability of two ternary half-Heusler compounds: TiIrSb and ZrIrSb. We employed the plan wave pseudo-potential method (PW-PP) within the density functional theory (DFT) framework. Our calculations were performed using both the GGA-PBE and Meta-GGA-SCAN approximations. Furthermore, to compute the phonon dispersion, we employed the R2SCAN functional instead of SCAN for both compounds, addressing numerical challenges encountered with the latter. In the absence of strain, our calculations revealed that both compounds exhibit semiconducting behavior, featuring an indirect band gap at identical locations in the Brillouin Zone. Notably, the SCAN functional consistently predicted a larger band gap compared to the corresponding values obtained with PBE for both compounds. Specifically, the band gap expanded significantly, creating a noticeable separation between the valence and conduction bands. For TiIrSb, it increased from 0.84 eV with PBE to 1.05 eV with SCAN, while for ZrIrSb, it increased from 1.41 eV with PBE to 1.71 eV with SCAN. Under the application of strains, both compounds demonstrated an increased band gap under compressive strain, while the application of tensile strain led to a decrease in the band gap, resulting in an indirect-to-direct band gap transition for ZrIrSb. Remarkably, under all strain values, whether tensile or compressive, the SCAN functional consistently exhibited a larger band gap compared to PBE, indicating its accurate description of the material’s electronic structure. The calculated Density of States (DOS) and Partial Density of States (PDOS) reveal that the valence band extremum (VBM) primarily consisted of Ti/Zr-d orbitals, while the conduction band maxima (CBM) predominantly involved strong hybridization between Ti/Zr-d, Ir-d, and Sb-p states. Notably, the SCAN functional predicted higher orbital contributions to Total Density of States (TDOS) compared to the PBE approximation. Importantly, both half-Heusler materials exhibited mechanical and dynamical stability under various strain conditions.

Numerical modeling of the behavior of concrete exposed to chloride ions by coupling age and mechanical stresses

This study proposes a quantitative examination of the issue of chloride ion infiltration in concrete under mechanical strain in a hostile setting while considering the influence of time, commonly referred to as the aging effect. The relationship between the diffusion coefficient and age, when subjected to specific levels of uniaxial or biaxial stresses for various W/C ratios, has allowed us to assess the concentration of chloride ions and the time needed for corrosion to begin through the coating layer in three dimensions. The numerical model results corroborate the notion that the corrosion process is affected by the fluctuation of the diffusion coefficient, which is directly linked to the age factor and the mechanical stresses exerted on the concrete. The model also emphasizes the extended distribution of chloride ion concentration at a certain depth, which is connected to the ratio of water to cement, influenced by the diffusion coefficient and the degree of mechanical stress in older structures.

Mechanically controlled multifaceted dynamic transformations in twisted organic crystal waveguides

This study introduces mechanically induced phenomena such as standing, leaning, stacking, and interlocking behaviors in naturally twisted optical waveguiding microcrystals on a substrate. The microscale twisted crystal self-assembled from 2,4-dibromo-6-(((2-bromo-5-fluorophenyl)imino)methyl)phenol is flexible and emits orange fluorescence. Mechanistic analysis reveals the strain generated by the intergrowing orientationally mismatched nanocrystallites is responsible for the twisted crystal growth. The crystal’s mechanical flexibility in the perpendicular direction to (001) and (010) planes can be attributed to intermolecular Br···Br, F···Br, and π···π stacking interactions. Through a systematic process involving step-by-step bending and subsequent optical waveguiding experiments at each bent position, a linear relationship between optical loss and mechanical strain is established. Additionally, the vertical standing and leaning of these crystals at different angles on a flat surface and the vertical stacking of multiple crystals reveal the three-dimensional aspects of organic crystal waveguides, introducing light trajectories in a 3D space. Furthermore, the integration of two axially interlocked twisted crystals enables the coupling of polarization rotation along their long axis. These crystal dynamics expand the horizons of crystal behavior and have the potential to revolutionize various applications, rendering these crystals invaluable in the realm of crystal-related science and technology.

Bacterial transport mediated by micro-nanobubbles in porous media

Determining the role of micro-nanobubbles (MNBs) in controlling the risk posed by pathogens to soil and groundwater during reclaimed water irrigation requires clarification of the mechanism of how MNBs block pathogenic bacteria. In this study, real-time bioluminescence imaging was used to investigate the effects of MNBs on the transport and spatiotemporal distribution of bioluminescent Escherichia coli 652T7 strain in porous media. The presence of MNBs significantly increased the retention of bacteria in the porous media, decreasing the maximum relative effluent concentration (C/C0) by 78 % from 0.97 (without MNBs) to 0.21 (with MNBs). The results suggested that MNBs provided additional sites at the air-water interface (AWI) for bacterial attachment and acted as physical obstacles to reduce bacterial passage. These effects varied with environmental conditions such as solution ionic strength and pore water velocity. The results indicated that MNBs enhanced electrostatic attachment of bacteria at the AWI and their mechanical straining in pores. This study suggests that adding MNBs in pathogen-containing water is an effective measure for increasing filtration efficiency and reducing the risk of pathogenic contamination during agricultural irrigation.

Assembly-inspired multiferroicity with nontrivial Chern insulating phase from exohedral metallofullerenes.

Fullerene-assembled low-dimensional materials have been experimentally realized in polymorphic forms and have attracted significant interest very recently. Here, we predict a two-dimensional (2D) honeycomb lattice material TM2(C60)3 (TM = Cr, Mo, and W) assembled from exohedral metallofullerene clusters TM(C60)3 that could exhibit planar triangular geometries. According to first-principles calculations combined with Monte Carlo simulations, we suggest that these 2D assembled materials exhibit various exotic physical properties, including ferromagnetism, ferroelectricity, and quantum anomalous Hall effect. Interestingly, mechanical strains could effectively tune their magnetic moments and switch the conducting spin channel of the Dirac bands at the Fermi level. Our work provides a new cluster-assembly design strategy toward cluster-assembled 2D materials based on fullerene characters.

MINK1 deficiency stimulates nucleus pulposus cell pyroptosis and exacerbates intervertebral disc degeneration

Intervertebral disc (IVD) degeneration, induced by aging and irregular mechanical strain, is highly prevalent in the elderly population, serving as a leading cause of chronic low back pain and disability. Evolving evidence has revealed the involvement of nucleus pulposus (NP) pyroptosis in the pathogenesis of IVD degeneration, while the precise regulatory mechanisms of NP pyroptosis remain obscure. Misshapen/Nck-interacting kinase (NIK)-related kinase 1 (MINK1), a serine-threonine protein kinase, has the potential to modulate the activation of NLRP3 inflammasome, indicating its pivotal role in governing pyroptosis. In this study, to assess the significance of MINK1 in NP pyroptosis and IVD degeneration, NP tissues from patients with varying degrees of IVD degeneration, and IVD tissues from both aging-induced and lumbar spine instability (LSI) surgery-induced IVD degeneration mouse models, with or without MINK1 ablation, were meticulously evaluated. Our findings indicated a notable decline in MINK1 expression in NP tissues of patients with IVD degeneration and both mouse models as degeneration progresses, accompanied by heightened matrix degradation and increased NP pyroptosis. Moreover, MINK1 ablation led to substantial activation of NP pyroptosis in both mouse models, and accelerating ECM degradation and intensifying the degeneration phenotype in mechanically stress-induced mice. Mechanistically, MINK1 deficiency triggered NF-κB signaling in NP tissues. Overall, our data illustrate an inverse correlation between MINK1 expression and severity of IVD degeneration, and the absence of MINK1 stimulates NP pyroptosis, exacerbating IVD degeneration by activating NF-κB signaling, highlighting a potential innovative therapeutic target in treating IVD degeneration.

Strain modulated optical properties of MoSi2P4 monolayer – insights from DFT

Strain plays a very important role in tuning the properties of the materials for the desired applications. In the present work, we have investigated the variation of strain on the electronic and optical properties of a recently synthesized class of compound MoSi2P4 monolayer using the first principle methods. The MoSi2P4 monolayer is found to be dynamically and thermally stable at room temperature. The electronic structure of studied monolayer indicates a direct bandgap (at K-point) of 0.685 eV and 1.177 eV using the PBE and HSE06 hybrid functionals, respectively. To tune the electronic bandgap and optical properties, mechanical strain was applied (up to ±10%). A high optical absorption coefficient of the order of 105 cm−1 is observed. The absorption starts in the infrared and visible region covering a large part in the ultraviolet region. The absorption coefficient is found to decrease (increase) under tensile (compressive) strain. Our study indicates the potential application of MoSi2P4 monolayer in flexible optoelectronic devices for absorption and detection in the infrared, visible and ultraviolet region.

Strain-modulated defect engineering of two-dimensional materials

Strain- and defect-engineering are two powerful approaches to tailor the opto-electronic properties of two-dimensional (2D) materials, but the relationship between applied mechanical strain and behavior of defects in these systems remains elusive. Using first-principles calculations, we study the response to external strain of h-BN, graphene, MoSe2, and phosphorene, four archetypal 2D materials, which contain substitutional impurities. We find that the formation energy of the defect structures can either increase or decrease with bi-axial strain, tensile or compressive, depending on the atomic radius of the impurity atom, which can be larger or smaller than that of the host atom. Analysis of the strain maps indicates that this behavior is associated with the compressive or tensile local strains produced by the impurities that interfere with the external strain. We further show that the change in the defect formation energy is related to the change in elastic moduli of the 2D materials upon introduction of impurity, which can correspondingly increase or decrease. The discovered trends are consistent across all studied 2D materials and are likely to be general. Our findings open up opportunities for combined strain- and defect-engineering to tailor the opto-electronic properties of 2D materials, and specifically, the location and properties of single-photon emitters.

Design of Fluorinated Elastomeric Electrolyte for Solid-State Lithium Metal Batteries Operating at Low Temperature and High Voltage.

We demonstrate the low-temperature operation of solid-state lithium metal batteries (LMBs) through the development of a fluorinated and plastic-crystal-embedded elastomeric electrolyte (F-PCEE). The F-PCEE is formed via polymerization-induced phase separation between the polymer matrix and plastic crystal phase, offering a high mechanical strain (∼300%) and ionic conductivity (∼0.23 mS cm-1) at -10°C. Notably, strong phase separation between two phases leads to the selective distribution of lithium (Li) salts within the plastic crystal phase, enabling superior elasticity and high ionic conductivity at low temperatures. The F-PCEE in a Li/LiNi0.8Co0.1Mn0.1O2 full cell maintains 74.4 and 42.5% of discharge capacity at -10 and -20°C, respectively, compared to that at 25°C. Furthermore, the full cell exhibits 85.3% capacity retention after 150 cycles at -10°C and a high cut-off voltage of 4.5V, representing one of the highest cycling performances among the reported solid polymer electrolytes for low-temperature LMBs. We attribute the prolonged cycling lifetime of F-PCEE at -10°C to the great mechanical robustness to suppress the Li-dendrite growth and ability to form superior LiF-rich interphases. This study establishes the design strategies of elastomeric electrolytes for developing solid-state LMBs operating at low temperatures and high voltages. This article is protected by copyright. All rights reserved.

Mechanical Strain Induces and Increases Vesicular Release Monitored by Microfabricated Stretchable Electrodes

Exocytosis involving the fusion of intracellular vesicles with cell membrane, is thought to be modulated by the mechanical cues in the microenvironment. Single‐cell electrochemistry can offer unique information about the quantification and kinetics of exocytotic events, however, the effects of mechanical force on vesicular release has been poorly explored. Herein, we developed a stretchable microelectrode with excellent electrochemical stability under mechanical deformation by microfabrication of functionalized poly(3,4‐ethylenedioxythiophene) conductive ink, which achieved real‐time quantitation of strain‐induced vesicular exocytosis from a single cell for the first time. We found that mechanical strain could cause calcium influx via the activation of Piezo1 channel in chromaffin cell, initiating the vesicular exocytosis process. Interestingly, mechanical strain increases the amount of catecholamines release by accelerating the opening and prolonging the closing of fusion pore during exocytosis. This work is expected to provide a revealing insight on the regulatory effects of mechanical stimuli on vesicular exocytosis.

Mechanical Strain Induces and Increases Vesicular Release Monitored by Microfabricated Stretchable Electrodes.

Exocytosis involving the fusion of intracellular vesicles with cell membrane, is thought to be modulated by the mechanical cues in the microenvironment. Single-cell electrochemistry can offer unique information about the quantification and kinetics of exocytotic events, however, the effects of mechanical force on vesicular release has been poorly explored. Herein, we developed a stretchable microelectrode with excellent electrochemical stability under mechanical deformation by microfabrication of functionalized poly(3,4-ethylenedioxythiophene) conductive ink, which achieved real-time quantitation of strain-induced vesicular exocytosis from a single cell for the first time. We found that mechanical strain could cause calcium influx via the activation of Piezo1 channel in chromaffin cell, initiating the vesicular exocytosis process. Interestingly, mechanical strain increases the amount of catecholamines release by accelerating the opening and prolonging the closing of fusion pore during exocytosis. This work is expected to provide a revealing insight on the regulatory effects of mechanical stimuli on vesicular exocytosis.

Mechanically strained osteocyte-derived exosomes contained miR-3110-5p and miR-3058-3p and promoted osteoblastic differentiation

BackgroundOsteocytes are critical mechanosensory cells in bone, and mechanically stimulated osteocytes produce exosomes that can induce osteogenesis. MicroRNAs (miRNAs) are important constituents of exosomes, and some miRNAs in osteocytes regulate osteogenic differentiation; previous studies have indicated that some differentially expressed miRNAs in mechanically strained osteocytes likely influence osteoblastic differentiation. Therefore, screening and selection of miRNAs that regulate osteogenic differentiation in exosomes of mechanically stimulated osteocytes are important.ResultsA mechanical tensile strain of 2500 με at 0.5 Hz 1 h per day for 3 days, elevated prostaglandin E2 (PGE2) and insulin-like growth factor-1 (IGF-1) levels and nitric oxide synthase (NOS) activity of MLO-Y4 osteocytes, and promoted osteogenic differentiation of MC3T3-E1 osteoblasts. Fourteen miRNAs differentially expressed only in MLO-Y4 osteocytes which were stimulated with mechanical tensile strain, were screened, and the miRNAs related to osteogenesis were identified. Four differentially expressed miRNAs (miR-1930-3p, miR-3110-5p, miR-3090-3p, and miR-3058-3p) were found only in mechanically strained osteocytes, and the four miRNAs, eight targeted mRNAs which were differentially expressed only in mechanically strained osteoblasts, were also identified. In addition, the mechanically strained osteocyte-derived exosomes promoted the osteoblastic differentiation of MC3T3-E1 cells in vitro, the exosomes were internalized by osteoblasts, and the up-regulated miR-3110-5p and miR-3058-3p in mechanically strained osteocytes, were both increased in the exosomes, which was verified via reverse transcription quantitative polymerase chain reaction (RT-qPCR).ConclusionsIn osteocytes, a mechanical tensile strain of 2500 με at 0.5 Hz induced the fourteen differentially expressed miRNAs which probably were in exosomes of osteocytes and involved in osteogenesis. The mechanically strained osteocyte-derived exosomes which contained increased miR-3110-5p and miR-3058-3p (two of the 14 miRNAs), promoted osteoblastic differentiation.

Environmental Stability Stretchable Organic Hydrogel Humidity Sensor for Respiratory Monitoring with Ultrahigh Sensitivity

AbstractReal‐time monitoring of respiration plays a very important role in human health assessment, especially in monitoring and analyzing respiration during exercise and sleep. However, traditional humidity sensors still have problems in flexibility, sensitivity, and durability, so there is an urgent need to develop humidity sensors with high sensitivity, stretchability, and environmental resistance as respiratory monitoring applications. Here, based on the double network hydrogel structure of polyvinyl alcohol and polyacrylamide, a highly sensitive, highly stretchable, and environmentally stable organic hydrogel humidity sensor has been manufactured by using the synergistic effect of lithium chloride and MXene. The hydrogel humidity sensor shows rapid response in the humidity range of 40–85% RH, and has a high sensitivity of −103.4%/% RH. In addition, it exhibits more than 3000% mechanical strain and excellent environmental resistance, which is attributed to the chemical cross‐linking in the hydrogel network and the synergistic effect of multiple hydroxyl groups in glycerol forming rich hydrogen bonds with water and polymer chains. The hydrogel humidity sensor is used for real‐time monitoring of breathing and sleep processes. This work provides a new strategy for preparing high‐performance, extensibility, and environmental stability hydrogel‐based sensors for respiratory monitoring.

Mercaptoethanol-assisted synthesis of sulfonic acid-functionalized polysiloxanes as inorganic fillers in composite membranes for energy-storage applications

Developing proton-exchange membranes (PEMs) for energy applications is necessary for fulfilling the increasing energy demand without environmental effects. In this study, we prepared composite membranes containing mercaptoethanol-assisted sulfonic acid-functionalized polysiloxanes (MASFPs) and perfluorinated sulfonic acid (PFSA). The MASFP-containing composite membrane (i.e., CMASFP-2) exhibited better membrane properties than the composite membrane prepared without mercaptoethanol (CMASFP-1) and the reference Nafion 212 membrane. Wide-angle X-ray diffraction (XRD) studies revealed a broad peak at 2θ = 17.4° and 39°, indicating that the composite membranes are semicrystalline. Scanning electron microscopy (SEM) analysis revealed that the prepared composite membranes had good morphology, whereas energy-dispersive X-ray spectroscopy analysis revealed that it had siloxane and more sulfonic acid than the pristine PFSA membrane. Thermogravimetric and mechanical strength analyses revealed that incorporating sulfonic acid-functionalized siloxanes improved the thermal stability and mechanical strain of the membrane. The prepared CMASFP-2 membrane had a high ionic conductivity of 0.106 mS cm−1 and an ion-exchange capacity of 1.09 meq·g−1. CMASFP-2 also exhibited lower hydrogen gas permeability than the Nafion 212 and PFSA membranes, demonstrating that it can be used for energy applications.

Enhancement of remnant polarization in ferroelectric HfO2 thin films induced by mechanical uniaxial tensile strain after the crystallization process

The effect of strain on the ferroelectricity of HfO2 thin films after crystallization was investigated by applying uniaxial mechanical strains to Au/HfO2/TiN metal–ferroelectric–metal (MFM) capacitors. The remnant polarization (2P r) of MFM capacitors increased when tensile strain was applied during polarization switching. This phenomenon should not be attributed to phase transformation from the non-ferroelectric to the ferroelectric phase, taking account of the fast relaxation of 2P r after removal of the mechanical strain and the fact that the crystal structure of HfO2 thin films evaluated by grazing incidence X-ray diffraction measurement was not changed by the tensile strain.

Writing and reading magnetization states via strain in Fe3GaTe2/h-BN/MnBi2Te4 junction

Writing and reading of magnetization states via mechanical strain are crucial for the development of ultralow-power spintronic devices. In this study, a van der Waals magnetic tunnel junction (vdW MTJ) of Fe3GaTe2/h-BN/MnBi2Te4 is constructed to explore the magnetization reversal under in-plane biaxial strains. Interestingly, the interlayer magnetic coupling of devices can be tuned to ferromagnetic and antiferromagnetic states by tensile and compressive strains, respectively. The various magnetic couplings on applied strains are analyzed using the superexchange theory. Importantly, the interlayer coupling nearly vanishes after removing external strains, ensuring the nonvolatility of magnetization reversal, resulting in the nonvolatile writing of magnetization states in the present vdW MTJ. Moreover, the tunneling magnetoresistance ratio of the device is up to −5745%, which remains −1478% even with −2% strain, showing great potential for reading the magnetization states. Therefore, this work provides an alternate avenue to write and read magnetization states in one vdW MTJ under biaxial strains.