Effects Of Mechanical Strain Research Articles

Effects of Mechanical Strain on Electronic Properties of Phosphorene Structure in the Presence of Spin-Orbit Coupling

In this paper, we present a Kane-Mele model in the presence of magnetic field and next nearest neighbors hopping amplitudes for investigations of the electronic and transport properties of monolayer phosphorene. We have also considered the effects of uniaxial and biaxial in-plane strain on the electronic behavior of phosphorene layer. Moreover the impact of out-of-plane strain on density of states of phosphorene layer has been studied. Specially, the temperature dependence of static thermal conductivity of phosphorene layer has been studied due to magnetic field, spin-orbit coupling and strain effects. The Kane Mele model Hamiltonian has been applied for describing the electron dynamics. We have exploited the linear response theory and Green’s function approach to obtain the temperature behavior of thermal conductivity, electrical conductivity, Seebeck coefficient and figure of merit. Our numerical results indicate, thermal conductivity increases upon increasing the temperature in the low amounts region. This fact comes from the increasing of thermal energy of charge carriers and excitation of them to the conduction bands. The temperature dependence of seebeck coefficient show the thermopower gets negative sign at high temperatures in the presence of spin-orbit coupling and strain effects. The effects of both spin orbit coupling, magnetic field factors on temperature behavior of electrical conductivity of phosphorene monolayer have been investigated in details. Moreover the effects of both in-plane uniaxial and biaxial strains on transport properties of single layer phosphorene have been addressed.

Tuning of circular photogalvanic effect of surface states in the topological insulator Sb2Te3 via structural deformation

Strain is a useful method to manipulate properties of three-dimensional (3D) topological insulators (TIs). In this study, we demonstrate the possibility to tune the circular photogalvanic effect (CPGE) of surface states of 3D TI Sb2Te3 films by applying external strain. The CPGE of 3D TI Sb2Te3 grown on SrTiO3 (STO) with different thicknesses has been systematically investigated. It is found that as the thickness of Sb2Te3 films increases from 7-quintuple layer (QL) to 27-QL, the CPGE current first increases and then decreases. Additionally, the CPGE currents demonstrate remarkable temperature dependence, which even reverse sign when the temperature is increased from 77 to 300 K. This phenomenon is due to the vertical thermoelectric effect and inverse spin Hall effect. Finally, the CPGE measurements of Sb2Te3 films under different mechanical strains are performed, and it is found that the CPGE current linearly decreases with the increase in the external strain. The variation in the CPGE current can be tuned up to 11% and 44% in the 18- and 12-QL Sb2Te3 grown on STO substrates under a tensile strain of 0.0225 and 0.0066, respectively. In particular, it can even reach 100% in the 30-QL Sb2Te3 film grown on an InP substrate under a tensile strain of 0.0033, which is due to the combined effect of mechanical deformation and spin injection from substrates. Our work provides a method to effectively manipulate the CPGE in 3D TIs by the combined effect of mechanical strain and spin injection from substrates, which paves the way for novel opto-spintronic devices.

Influence of mechanical and TGF-\u03b23 stimulation on the tenogenic differentiation of tonsil-derived mesenchymal stem cells

BackgroundOrganogenesis from tonsil-derived mesenchymal cells (TMSCs) has been reported, wherein tenogenic markers are expressed depending on the chemical stimulation during tenogenesis. However, there are insufficient studies on the mechanical strain stimulation for tenogenic cell differentiation of TMSCs, although these cells possess advantages as a cell source for generating tendinous tissue. The purpose of this study was to investigate the effects of mechanical strain and transforming growth factor-beta 3 (TGF-β3) on the tenogenic differentiation of TMSCs and evaluate the expression of tendon-related genes and extracellular matrix (ECM) components, such as collagen.ResultsmRNA expression of tenogenic genes was significantly higher when the mechanical strain was applied than under static conditions. Moreover, mRNA expression of tenogenic genes was significantly higher with TGF-β3 treatment than without. mRNA expression of osteogenic and chondrogenic genes was not significantly different among different mechanical strain intensities. In cells without TGF-β3 treatment, double-stranded DNA concentration decreased, while the amount of normalized collagen increased as the intensity of mechanical strain increased.ConclusionsMechanical strain and TGF-β3 have significant effects on TMSC differentiation into tenocytes. Mechanical strain stimulates the differentiation of TMSCs, particularly into tenocytes, and cell differentiation, rather than proliferation. However, a combination of these two did not have a synergistic effect on differentiation. In other words, mechanical loading did not stimulate the differentiation of TMSCs with TGF-β3 supplementation. The effect of mechanical loading with TGF-β3 treatment on TMSC differentiation can be manipulated according to the differentiation stage of TMSCs. Moreover, TMSCs have the potential to be used for cell banking, and compared to other mesenchymal stem cells, they can be procured from patients via less invasive procedures.

Understanding the effect of mechanical strains on the catalytic activity of transition metals.

The effect of elastic strains on the catalytic activity for the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) was analyzed on thirteen late transition metals: eight (111) surfaces of fcc metals (Ni, Cu, Pd, Ag, Pt, Au, Rh, Ir) and five (0001) surfaces of hcp metals (Co, Zn, Cd, Ru, and Os). The corresponding adsorption energies for the different intermediate reactions up to strains dictated by the mechanical stability limits were previously obtained by means of density functional theory calculations. It was found that the elastic strains can be used to tune the catalytic activity of different metals by reducing the energy barrier of the rate limiting step and even to reach the cusp of the volcano plot. The largest changes in catalytic activity with strain for the HER were found in Pt, Au, and Ir while Co and Ni were very insensitive to this strategy. In the case of the ORR, the catalytic activity of Au could be enhanced by the application of tensile strains while that of Cu, Ni, Pt, Pd, Rh, Co, Ru, and Os was improved by the application of compressive strains. However, the catalytic activity of Ir was rather insensitive to mechanical deformations. Elastic strains were able to modify the rate limiting reaction in Au, Pt, Ag, and Os and it was possible to achieve the cusp of the volcano plot in these metals. Final, mechanical instabilities were attained at small strains in Zn and Cd, which did not lead to significant changes in the catalytic activity for the HER and the ORR. These results provide a framework to systematically investigate the application of elastic strains in the design of new catalysts.

A neural network potential for the IRMOF series and its application for thermal and mechanical behaviors.

Metal-organic frameworks (MOFs) with their exceptional porous and organized structures have been the subject of numerous applications. Predicting the bulk properties from atomistic simulations requires the most accurate force fields, which is still a major problem due to MOFs' hybrid structures governed by covalent, ionic and dispersion forces. Application of ab initio molecular dynamics to such large periodic systems is thus beyond the current computational power. Therefore, alternative strategies must be developed to reduce computational cost without losing reliability. In this work, we construct a generic neural network potential (NNP) for the isoreticular metal-organic framework (IRMOF) series trained by PBE-D4/def2-TZVP reference data of MOF fragments. We confirmed the success of the resulting NNP on both fragments and bulk MOF structures by prediction of properties such as equilibrium lattice constants, phonon density of states and linker orientation. The RMSE values of energy and force for the fragments are only 0.0017 eV atom-1 and 0.15 eV Å-1, respectively. The NNP predicted equilibrium lattice constants of bulk structures, even though not included in training, are off by only 0.2-2.4% from experimental results. Moreover, our fragment based NNP successfully predicts the phenylene ring torsional energy barrier, equilibrium bond distances and vibrational density of states of bulk MOFs. Furthermore, the NNP enables revealing the odd behaviors of selected MOFs such as the dual thermal expansion properties and the effect of mechanical strain on the adsorption of hydrogen and methane molecules. The NNP based molecular dynamics (MD) simulations suggest IRMOF-4 and IRMOF-7 to have positive-to-negative thermal expansion coefficients while the rest to have only negative thermal expansion at the studied temperatures of 200 K to 400 K. The deformation of the bulk structure by reduction of the unit cell volume has been shown to increase the volumetric methane uptake in IRMOF-1 but decrease the volumetric methane uptake in IRMOF-7 due to the steric hindrance. To the best of our knowledge, this study presents the first pre-trained model publicly available giving the opportunity for the researchers in the field to investigate different aspects of IRMOFs by performing large-scale simulation at the first-principles level of accuracy.

Anomalous thermal transport behavior in graphene-like carbon nitride (C3N)

In this paper, the thermal transport between C3N and the parent graphene is determined using first principles calculations for a comparative study, including the effect of temperature and mechanical strain on the thermal conductivity of C3N.

Mechanical strain, thermal and pressure effects on the absorption edge of an organic charge-transfer polymer for flexible photovoltaics and sensors

A highly stretchable elastic organic charge-transfer polymer displays improved photovoltaic characteristics under high pressure.

Optical absorption of phosphorene structure in the presence of spin–orbit coupling: mechanical strain effects

Optical absorption of phosphorene structure in the presence of spin–orbit coupling: mechanical strain effects

Band gap engineering of 2H-MX2 (M = Mo; X = S, Se, Te) monolayers using strain effect

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have attracted wide attention among researchers due to their extraordinary properties similar to graphene. In the present work, we have studied the electronic structure of 2H-MX2 (M = Mo; X = S, Se, Te) monolayer using density functional theory implanted in SIESTA Code. The calculated band structure shows the direct bandgap at the K point for all the MX2 monolayers and have values 1.56 eV, 1.38 eV, 0.98 eV for MoS2, MoSe2, MoTe2, respectively. We have carried out the systematic uniaxial tensile mechanical strain effect on the bandgap of monolayers in the range of −10% to + 10%. This systematic uniaxial tensile mechanical stain decreases the energy gap for all monolayers as we increase the strain from 0% to 10%. The strain variation from 0 to −10% yields varying bandgap, which firstly increases and then decreases with strain. Hence, we find that the application of strain could modulate the properties which forms the broken gap heterostructures within the 2H class.

Enhancing the NIR Photocurrent in Single GaAs Nanowires with Radial p-i-n Junctions by Uniaxial Strain.

III–V compound nanowires have electrical and optical properties suitable for a wide range of applications, including photovoltaics and photodetectors. Furthermore, their elastic nature allows the use of strain engineering to enhance their performance. Here we have investigated the effect of mechanical strain on the photocurrent and the electrical properties of single GaAs nanowires with radial p-i-n junctions, using a nanoprobing setup. A uniaxial tensile strain of 3% resulted in an increase in photocurrent by more than a factor of 4 during NIR illumination. This effect is attributed to a decrease of 0.2 eV in nanowire bandgap energy, revealed by analysis of the current–voltage characteristics as a function of strain. This analysis also shows how other properties are affected by the strain, including the nanowire resistance. Furthermore, electron-beam-induced current maps show that the charge collection efficiency within the nanowire is unaffected by strain measured up to 0.9%.

Permeability Analysis of Hydrate-Bearing Porous Media Considering the Effect of Phase Transition and Mechanical Strain during the Shear Process

Summary The permeability characteristics of hydrate-bearing reservoirs are critical factors governing gas and water flow during gas hydrate exploitation. Herein, X-ray microcomputed tomography (CT) and the pore network model (PNM) are applied to study the dynamic gas and water relative permeabilities (krg and krw) of hydrate-bearing porous media during the shear process. As such, the dynamic region extraction method of hydrate-bearing porous media under continuous shear is adopted by considering deformation in the vertical direction. The results show that krw and krg of hydrate-bearing porous media are influenced by the effect of disordered sand particle movement under axial strain. Declines in the critical pore structure factors (pore space connectivity, pore size, and throat size) contribute to the reduction in krw and the increase in krg. However, krg decreases during the shear process at a high water saturation (Sw) because of the high threshold pressure and flow channel blockage. In addition, the connate water saturation (Swc) continuously increases during the shear process. Swc is influenced by pore size, throat size, and flow channel blockage. Moreover, the preferential flow direction of krg and krw changes during the continuous shear process. The results of dynamic permeability evolution during the continuous shear process under triaxial stress provide a reference for pore-scale gas and water flow regulation analysis.

Smart Hand Glove for Hearing and Speech Impaired

Abstract: With the advancement of technology, we can implement a variety of ideas to serve mankind in numerous ways. Inspired by this, we have developed a smart hand glove system which will be able to help the people having hearing and speech disabilities. In the world of sound, for those without it, sign language is a powerful tool to make their voices heard. The American Sign Language (ASL) is the most frequently used sign language in the world, with some differences depending on the nation. We created a wearable wireless gesture decoder module in this project that can transform the basic set of ASL motions into alphabets and sentences. Our project utilizes a glove that houses a series of flex sensors on the metacarpal and interphalange joints of the fingers to detect the bending of fingers, through piezoresistive (change in electrical resistance when the semiconductor or metal is subjected to mechanical strain) effect. The glove is attached with an accelerometer as well, that helps to detect the hand movements. Simple classification algorithms from machine learning are then applied to translate the gestures into alphabets or words. Keywords: Arduino; MPU6050; Flex sensor; Machine learning; SVM classifier

Mechanical Strain Drives Myeloid Cell Differentiation Toward Proinflammatory Subpopulations.

Objective: After injury, humans and other mammals heal by forming fibrotic scar tissue with diminished function, and this healing process involves the dynamic interplay between resident cells within the skin and cells recruited from the circulation. Recent studies have provided mounting evidence that external mechanical forces stimulate intracellular signaling pathways to drive fibrotic processes. Innovation: While most studies have focused on studying mechanotransduction in fibroblasts, recent data suggest that mechanical stimulation may also shape the behavior of immune cells, referred to as "mechano-immunomodulation." However, the effect of mechanical strain on myeloid cell recruitment and differentiation remains poorly understood and has never been investigated at the single-cell level. Approach: In this study, we utilized a three-dimensional (3D) in vitro culture system that permits the precise manipulation of mechanical strain applied to cells. We cultured myeloid cells and used single-cell RNA-sequencing to interrogate the effects of strain on myeloid differentiation and transcriptional programming. Results: Our data indicate that myeloid cells are indeed mechanoresponsive, with mechanical stress influencing myeloid differentiation. Mechanical strain also upregulated a cascade of inflammatory chemokines, most notably from the Ccl family. Conclusion: Further understanding of how mechanical stress affects myeloid cells in conjunction with other cell types in the complicated, multicellular milieu of wound healing may lead to novel insights and therapies for the treatment of fibrosis.

Effects of mechanical strain on periodontal ligament fibroblasts in presence of Aggregatibacter actinomycetemcomitans lysate

PurposeMany adult orthodontic patients suffer from periodontitis, which is caused by oral pathogens such as the gram-negative Aggregatibacter actinomycetemcomitans (Agac). Like orthodontic tooth movement, periodontitis is associated with inflammation and alveolar bone remodelling thereby affecting orthodontic treatment. Interactions of both processes, however, are not sufficiently explored, particularly with regard to oxidative stress.MethodsAfter preincubation with Agac lysate for 24 h periodontal ligament fibroblasts (PDLF) were either stretched or compressed for further 48 h simulating orthodontic forces in vitro. We analysed the expression of genes and proteins involved in the formation of reactive oxygen species (NOX-4, ROS) and nitric oxide (NOS-2), inflammation (TNF, IL-6, PTGS-2) and bone remodelling (OPG, RANKL).ResultsAgac lysate elevated the expression of NOX-4, NOS-2, inflammatory IL-6 and PTGS-2 and the bone-remodelling RANKL/OPG ratio during compressive, but not tensile mechanical strain. Agac lysate stimulated pressure-induced inflammatory signalling, whereas surprisingly ROS formation was reduced. Pressure-induced downregulation of OPG expression was inhibited by Agac lysate.ConclusionsAgac lysate impact on the expression of genes and proteins involved in inflammation and bone remodelling as well as ROS formation, when PDLF were subjected to mechanical forces occurring during orthodontic tooth movement.

Failure of fluorocarbon copolymer pipes subjected to mechanical strain in an alkaline environment

A failure analysis was carried out on leaking fluorocarbon-based copolymer pipes used in a cleaning and disinfection plant. Pipes conveyed a solution of sodium hydroxide and showed leaking after two months of service. Leaks originated from reddish-colored cuts located on the bending curves of the external surface of the pipes. Experimental findings and literature review pointed out that a combined effect of chemical degradation and mechanical strain (similar to stress corrosion cracking) triggered the failure. This type of degradation developed in high pH hydroxide solution due to dehydrofluorination of the exposed surface, starting material embrittlement and formation of crazes and microcracks. An applied mechanical deformation accelerated the crack opening and the solvent diffusion, up to the consequent pipe leaking and failure.

Highly Strain-Tunable Interlayer Excitons in MoS2/WSe2 Heterobilayers

Interlayer excitons in heterobilayers of transition-metal dichalcogenides (TMDCs) have generated enormous interest due to their permanent vertical dipole moments and long lifetimes. However, the effects of mechanical strain on the optoelectronic properties of interlayer excitons in heterobilayers remain relatively uncharacterized. Here, we experimentally demonstrate strain tuning of Γ-K interlayer excitons in molybdenum disulfide and tungsten diselenide (MoS2/WSe2) wrinkled heterobilayers and obtain a deformation potential constant of ∼107 meV/% uniaxial strain, which is approximately twice that of the intralayer excitons in the constituent monolayers. We further observe a nonmonotonic dependence of the interlayer exciton photoluminescence intensity with strain, which we interpret as being due to the sensitivity of the Γ point to band hybridization arising from the competition between in-plane strain and out-of-plane interlayer coupling. Strain engineering with interlayer excitons in TMDC heterobilayers offers higher strain tunability and new degrees of freedom compared to their monolayer counterparts.

Role of charge doping and strain in the stabilization of in-plane ferromagnetism in monolayer at room temperature

We study the origin of in-plane ferromagnetism in monolayer VSe2 focusing on the effect of charge doping and mechanical strain. We start from an anisotropic spin Hamiltonian, estimate its parameters from density functional calculations, and determine the spectrum of spin-wave excitations. We show that 1T-VSe2 is characterized by relatively strong on-site Coulomb repulsion (U ≃ 5 eV), favoring an antiferromagnetic ground state, which contradicts experimental observations. We calculate the magnetic phase diagram as a function of charge doping and strain, and find a transition to the ferromagnetic state with in-plane easy axis under moderate hole doping (∼1014 cm−2). Analysis of spin-wave excitations in doped monolayer VSe2 reveals a gap due to the in-plane anisotropy, giving rise to long-range magnetic order well above 300 K, in agreement with recent experiments. Our findings suggest that experimentally available 1T-VSe2 monolayer samples might be intrinsically or extrinsically doped, which opens up the possibility for a controllable manipulation of their magnetic properties.

Piezoresistive modelling of CNTs reinforced composites under mechanical loadings

This paper presents an analytical model to describe the influence of mechanical deformation on the effective electrical conductivity of CNTs reinforced composites. The model shows that the effect of mechanical strain on the effective electrical conductivity of CNTs reinforced composites are via two mechanisms; one is the strain-induced alteration of volume fraction of inclusions and the other is the strain-induced change of the tunnelling electrical conductivity of inclusions. Analytical formulations are developed for calculating the dependence of the effective electrical conductivity of the composite on the mechanical strain. The model is validated by using experimental data published in literature for CNTs reinforced polymer composites.

Effect of load-induced local mechanical strain on peri-implant bone cell activity related to bone resorption and formation in mice: An analysis of histology and strain distributions

The purpose of this study was to investigate the effect of load-induced local mechanical strain on bone cell activity of peri-implant bone in mice. Titanium implants were placed in the maxillae of 13-week-old male C57BL/6J mice and subjected to intermittent 0.15 N, 0.3 N, or 0.6 N loads for 30 min/day for 6 days. The animals were sacrificed 2 days after the final loading. Unloaded mice were used as controls. An animal-specific three-dimensional finite element model was constructed based on morphological data retrieved from in vivo microfocus computed tomography for each mouse to calculate the mechanical strain distribution. Strain distribution images were overlaid on corresponding histological images of the same site in the same animal. The buccal cervical region of the peri-implant bone was predetermined as the region of interest (ROI). Each ROI was divided by four strain intensity levels: 0–20 με, 20–60 με, 60–100 με, and ≥100 με, and the bone histomorphometric parameters were analyzed by the total area of each strain range for all loaded samples. The distance between the calcified front and calcein labeling as a parameter representing the mineral apposition rate was significantly greater in the areas with strain intensity ≥100 με than in the area with strain intensity <100 με, suggesting that the bone formation activity of osteoblasts was locally enhanced by a higher mechanical strain. However, the shrunken osteocytes and the empty osteocyte lacunae were significantly lower in the highest strain area, suggesting that osteoclastogenesis was more retarded in higher strain areas than in lower strain areas. The histomorphometric parameters were not affected geometrically in the unloaded animals, suggesting that the load-induced mechanical strain caused differences in the histomorphometric parameters. Our findings support the hypothesis that bone cell activity related to bone resorption and formation is local strain-dependent on implant loading.

Effect of Mechanical Strain on Cells Involved in Fracture Healing

Secondary fracture healing is a complex multi‐stage process in which the mechanical environment plays a key role. The use of an appropriate mechanical stimulation such as strain is conducive to tissue formation between fracture ends, thus aiding the healing process. However, if the strain is too large or too small, the biological behavior of the cells involved in bone healing will be affected, resulting in non‐union or delayed healing. In this review, we summarize the current state of knowledge regarding the effect of strain on cells that play a role in the fracture‐healing process. Overall, the related literature suggests that selection of an adequate strain promotes fracture healing through the stimulation of angiogenesis and osteogenesis, along with inhibition of osteoclast differentiation and bone resorption. However, standardized methods for the application of mechanical stimulation are lacking, and a unified consensus on the mechanism by which strain promotes cell differentiation has not yet been reached. These issues, therefore, deserve further investigation.