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Phase Transition in Two-dimensional Tellurene under Mechanical Strain Modulation
摘要： We carry out computational simulations based on density functional theory (DFT) to investigate different phases of two-dimensional (2-D) tellurene. These phases are classified by their characteristic space groups and symmetry elements. Correlations of these phases to the bulk crystalline tellurium structure are also illustrated. Our specific interests include mechanical property calculations for different phases and the possible phase transitions between them. Simulation results show that these 2-D Te phases have very different elastic moduli due to their different atomic bonding and relaxed structures. Moreover, compression along the in-plane directions facilitates the α → β phase transition, while in-plane tensile strains always make the α-phase more stable than the β-phase. However, the energy difference between the two phases is comparable to or even much smaller than the thermal energy kT, depending on the in-plane strain direction. We find that further increase of the tensile strain along the chain direction beyond a critical value, ca. 12%, may lead to a possible α → γ phase transition. As the tensile strain is above 15%, the γ-phase will be more stable than the α-phase, accompanied by a further reduced transition energy barrier.
关键词： phase transition,elastic modulus,Tellurene,strain engineering,density functional theory (DFT),2-D materials
更新于2025-09-23 15:22:29
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Strain coupling and dynamic relaxation in multiferroic metal-organic framework [(CH3)2NH2][Mn(HCOO)3] with perovskite structure
摘要： Strain coupling with ferromagnetism and ferroelectricity plays an important role in the development of multiferroic metal-organic frameworks (MOFs) with strong magnetoelectric coupling, but the underlying mechanisms have not been well understood. Strain coupling and dynamic relaxation in multiferroic MOF with perovskite structure [(CH3)2NH2][Mn(HCOO)3] were investigated using X-ray diffraction (XRD), Raman spectroscopy, Infra-red (IR) spectroscopy, differential scanning calorimetry (DSC), magnetic measurements and dynamic mechanical analysis (DMA). DSC results showed peaks at 183 K and 190 K at the rate of 5 K/min during cooling and heating processes, respectively. Magnetic measurements showed magnetic transition at ~ 8.5 K at the heating rate of 2 K/min. Temperature and frequency dependences of elastic properties studied by DMA at frequencies of 0.5 Hz to 10 Hz between 140 K and 300 K at heating rate of 2 K/min indicated that the minimum in storage modulus and the maximum in loss modulus and loss factor occurred near 190 K. The peak height of loss modulus and loss factor decreased at higher frequency, and the peak temperature was independent of frequency, showing the features of first-order phase transition. Near 190 K, paraelectric to ferroelectric phase transition triggered by disorder–order transition of alkylammonium cations located in the framework cavities occurred accompanied by the structural phase transition from rhombohedral space group R c to monoclinic space group Cc. The elastic anomalies and large energy loss near 190 K were associated with the coupling of the local strain with the freezing of dimethylammonium cation and the freezing of twin walls.
关键词： Elastic modulus,Energy loss,Metal-organic framework (MOF),Phase transition,Dynamic mechanical analysis (DMA)
更新于2025-09-19 17:15:36
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[IEEE 2019 IEEE International Ultrasonics Symposium (IUS) - Glasgow, United Kingdom (2019.10.6-2019.10.9)] 2019 IEEE International Ultrasonics Symposium (IUS) - Laser Ultrasonic Sensing of Oxidation-Induced Microstructural Changes in Nuclear Graphites
摘要： Serving both as a structural and as a functional material, nuclear graphites have a range of useful mechanical, chemical and radiation-related behaviors that are important for nuclear applications. The raw materials used as feedstock along with the manufacturing processes used for production of these materials results in a complicated microstructure composed of graphite filler, graphitized pitch binder, and voids/defects that include porosity and microcracks. These heavily influence the overall elastic moduli of nuclear graphites and must be taken into account when interpreting ultrasonic measurements. Indeed, the measured elastic moduli are generally close to the Reuss limits – the theoretical, lower bounds for the moduli – but no attempts have been made to explain these results within the broader context of elasticity in porous materials containing microcracks. In this work, we report ultrasonic measurements of elastic moduli for nuclear graphites as a function of the bulk porosity and interpret them using relatively simple, physics-based models that describe the effects of porosity and microcracking on modulus. Modifications to these models are explored to account for microstructure-related effects on modulus such as those that are associated with oxidation-induced porosity. These models can be used to interpret a broad range of ultrasonic measurements reported previously for nuclear graphites, and the insight gained into the elastic responses of these materials can be used to guide the use of ultrasonic methods to assess the structural integrity of nuclear graphites.
关键词： porosity,laser ultrasonics characterization,elastic modulus,material property
更新于2025-09-19 17:13:59
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Stiffness and hardness gradients obtained by laser surface melting of an aged β-Ti alloy
摘要： Components with variable stiffness have been attracting interest because of their potential for use in biomedical implants. Here, a β-titanium alloy aged under different conditions was subjected to laser surface melting (LSM). The high cooling rate typical of LSM avoided α-phase precipitation in the fusion zone (FZ) and heat-affected zone (HAZ) as the α precipitates were solid-solutioned into the β phase, producing a surface layer with full β phase over the aged substrate and reduced stiffness and hardness. The decrease in stiffness occurred independently of the aging condition used while the decrease in hardness was greater for the sample aged at the lower temperature as this had finer precipitates. A route involving aging at this lower temperature and LSM is proposed for use when a graded material combining a less rigid surface with the original core stiffness and strength is required, as in orthopedic implants.
关键词： Laser processing,Graded materials,Elastic modulus,Titanium alloys
更新于2025-09-12 10:27:22
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The Value of Elastic Modulus Index as a Novel Surrogate Marker for Cardiovascular Risk Stratification by Dimensional Speckle-Tracking Carotid Ultrasonography
摘要： Background: Carotid intima media thickness (CIMT) and the presence of carotid plaque have been used for risk stratification of cardiovascular disease (CVD). To date, however, the association between multi-directional functional properties of carotid artery and CVD has not been fully elucidated. We sought to explore the multi-directional mechanics of the carotid artery in relation to cardiovascular risk. Methods: Four hundred one patients who underwent carotid ultrasound were enrolled between January 2010 and April 2013. A high risk of CVD was defined as more than 20% of 10-year risk based on the Framingham risk score. Using a speckle-tracking technique, the longitudinal and radial movements were analyzed in the B-mode images. Peak longitudinal and radial displacements, strain and strain rate were also measured. Beta stiffness and elastic modulus index were calculated from the radial measurements. Results: Of the overall sample, 13% (52) of patients comprised the high-risk group. In multivariate logistic regression, CIMT and elastic modulus index were independently associated with a high-risk of CVD {odds ratio (OR): 1.810 [95% confidence interval (CI) 1.249–2.622] and OR: 1.767 (95% CI: 1.177–2.652); p = 0.002, 0.006, respectively}. The combination of CIMT and elastic modulus index correlated with a high-risk of CVD more so than CIMT alone. Conclusion: The elastic modulus index of the carotid artery might serve as a novel surrogate marker of high-risk CVD. Measurement of the multi-directional mechanics of the carotid artery using the speckle tracking technique has potential for providing further information over conventional B-mode ultrasound for stratification of CVD risk.
关键词： Elastic modulus,Carotid artery,Cardiovascular disease
更新于2025-09-10 09:29:36
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Quantifying the Exfoliation Ease Level of 2D Materials via Mechanical Anisotropy
摘要： The isolation of 2D materials from mother bulks into nanoscale is of vital importance for fulfilling their applications in many technological fields. Among known methods, mechanical exfoliation is one of the most widely utilized ways due to its simplicity. For a given 2D material, both its inter-layer and intra-layer bonding strengths need to be taken into accounted for understanding the exfoliation process as the former dominates the ease level for cleaving adjacent molecular layers while the later regulates the ability for resisting cracking. In this regard, strong intra-layer but weak inter-layer bonding interactions respectively lead to large and thin nanosheets, hence facile exfoliation (and vice versa). As the bonding forces can be directly reflected through elastic properties of materials, here we propose to use the ratio between the in-plane and out-of-plane elastic modulus (E) as a universal index, AIn/Out (= EIn-plane/EOut-of-plane), to quantify the ease level of a 2D material’s mechanical exfoliation. Such ratios, which can be facilely obtained from routine computational and mechanical experiments, could provide useful information for estimating suitable exfoliation methods of 2D materials.
关键词： nanosheets,elastic modulus,2D materials,mechanical exfoliation,mechanical anisotropy
更新于2025-09-09 09:28:46
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Effect of elastic modulus of cantilever beam on the performance of unimorph type piezoelectric energy harvester
摘要： Piezoelectric energy harvesting is a technique that can utilize ambient vibration energy to generate useful electrical energy, which is promising for powering small-scale autonomous devices such as sensors for wearable, biomedical, and industrial applications. Typically, cantilever-type piezoelectric energy harvesters (PEHs) are operated under resonance condition to achieve the maximum output power at low frequency stimuli. Along with resonance matching, it is also necessary to optimize the PEH configuration with high electromechanical properties for the efficient energy conversion. The purpose of this study is to investigate the effect of the elastic modulus of the passive layer in the cantilever structured PEH on the electromechanical properties and thus harvesting performance. In this regard, two unimorph type PEHs having the identical geometry, piezoelectric properties, and proof mass but with different elastic modulus (55 GPa and 97 GPa) of Ti alloy-based passive layers were fabricated and their output performance was compared under the same acceleration amplitude excitation stimuli. The PEH with the smaller elastic modulus passive layer exhibited almost 53% improvement in the maximum power than that with the higher elastic modulus passive layer, which is attributed to a smaller mechanical damping ratio, higher quality factor, and larger vibration amplitude.
关键词： vibration energy,piezoelectric energy harvesting,cantilever beam,elastic modulus,unimorph type
更新于2025-09-04 15:30:14
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First-principles study on the stability and properties of β-SiC/M+1AlC (M=Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta; n=1,2) interfaces
摘要： In this work, first principles calculations are performed to investigate the structural, electronic, and mechanical properties of the interface between β-SiC ceramics and Mn+1AlCn (M = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta; n = 1,2) phases, with particular focus on Ti3AlC2 and Ti2AlC. The interface between the β-SiC(111) and Tin+1AlCn (0001) (n = 1,2) surfaces is most likely a stable interface because of the small misfit in lattice constants. Six different interface models between β-SiC(111) and Tin+1AlCn(0001) are examined. The optimized interfacial distances are determined using the universal binding energy relation method, and then each model is fully relaxed to calculate work of adhesion. By comparison, it is determined that the junctions connecting the C-terminated SiC(111) and Ti-terminated Tin+1AlCn(0001) surfaces are the most stable structures. Then the electronic structures for this interface model of Ti3AlC2/SiC are analyzed from the density of states, atomic charges, total electron densities and electron density difference. The elastic moduli are also computed in this study, and the data show that the mechanical properties for the composite Tin+1AlCn/SiC slab are between those of bulk Tin+1AlCn and β-SiC, with enhanced plasticity. Finally, the results for β-SiC/Tin+1AlCn are extended to study the interfacial stabilization of β-SiC ceramics and the wider class of Mn+1AlCn phase coatings (M = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta; n = 1,2). It is found that SiC ceramics may be effectively joined by Mn+1AlCn with stable interfacial chemical bonding, which provides a theoretical basis for the effective junction in SiC composites.
关键词： MAX phases,First-principles,SiC,Interfacial stabilization,Elastic modulus
更新于2025-09-04 15:30:14
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Assessment of UVA-Riboflavin Corneal Cross-Linking Using Small Amplitude Oscillatory Shear Measurements
摘要： The effect of ultraviolet (UV)–riboflavin cross-linking (CXL) has been measured primarily using the strip extensometry technique. We propose a simple and reliable methodology for the assessment of CXL treatment by using an established rheologic protocol based on small amplitude oscillatory shear (SAOS) measurements. It provides information on the average cross-link density and the elastic modulus of treated cornea samples. METHODS. Three fresh postmortem porcine corneas were used to study the feasibility of the technique, one serving as control and two receiving corneal collagen cross-linking treatment. Subsequently, five pairs of fresh postmortem porcine corneas received corneal collagen cross-linking treatment with riboflavin and UVA-irradiation (370 nm; irradiance of 3 mW/cm2) for 30 minutes (Dresden protocol); the contralateral porcine corneas were used as control samples. After the treatment, the linear viscoelastic moduli of the corneal samples were measured using SAOS measurements and the average cross-linking densities extracted. RESULTS. For all cases investigated, the dynamic moduli of the cross-linked corneas were higher compared to those of the corresponding control samples. The increase of the elastic modulus of the treated samples was between 122% and 1750%. The difference was statistically significant for all tested samples (P ? 0.018, 2-tailed t-test). CONCLUSIONS. We report a simple and accurate methodology for quantifying the effects of cross-linking on porcine corneas treated with the Dresden protocol by means of SAOS measurements in the linear regime. The measured dynamic moduli, elastic and viscous modulus, represent the energy storage and energy dissipation, respectively. Hence, they provide a means to assess the changing physical properties of the cross-linked collagen networks after CXL treatment.
关键词： small amplitude oscillatory shear measurements,linear viscoelasticity,elastic modulus,rheology,cross-link density,corneal collagen cross-linking
更新于2025-09-04 15:30:14