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1.
《International Journal of Hydrogen Energy》2022,47(5):3022-3032
In the present work, the bonding length, electronic structure, stability, and dehydrogenation properties of the Perovskite-type ZrNiH3 hydride, under different uniaxial/biaxial strains are investigated through ab-initio calculations based on the plane-wave pseudo-potential (PW-PP) approach. The findings reveal that the uniaxial/biaxial compressive and tensile strains are responsible for the structural deformation of the ZrNiH3 crystal structure, and its lattice deformation becomes more significant with decreasing or increasing the strain magnitude. Due to the strain energy contribution, the uniaxial/biaxial strain not only lowers the stability of ZrNiH3 but also decreases considerably the dehydrogenation enthalpy and decomposition temperature. Precisely, the formation enthalpy and decomposition temperature are reduced from ?67.73 kJ/mol.H2 and 521 K for non-strained ZrNiH3 up to ?33.73 kJ/mol.H2 and 259.5 K under maximal biaxial compression strain of ε = ?6%, and to ?50.99 kJ/mol.H2 and 392.23 K for the maximal biaxial tensile strain of ε = +6%. The same phenomenon has been also observed for the uniaxial strain, where the formation enthalpy and decomposition temperature are both decreased to ?39.36 kJ/mol.H2 and 302.78 K for a maximal uniaxial compressive strain of ε = - 12%, and to ?51.86 kJ/mol.H2 and 399 K under the maximal uniaxial tensile strain of ε = +12%. Moreover, the densities of states analysis suggests that the strain-induced variation in the dehydrogenation and structural properties of ZrNiH3 are strongly related to the Fermi level value of total densities of states. These ab-initio calculations demonstrate insightful novel approach into the development of Zr-based intermetallic hydrides for hydrogen storage practical applications. 相似文献
2.
《International Journal of Hydrogen Energy》2022,47(31):14361-14370
By the first-principles calculations, the sensitivity of CO, H2O and NO adsorption on Au doped SnSe2 monolayer surface is investigated. The results show that CO and H2O molecules are physically adsorbed on Au doped SnSe2 monolayer and act as donors to transfer 0.012 e and 0.044 e to the substrate, respectively. However, the NO molecule is chemically adsorbed on substrate and acts as an acceptor to obtain 0.116 e from the substrate. In addition, our results also show that the biaxial strain can effectively improve the adsorption energy and charge transfer of gas molecules adsorbed on the substrate surface. Also, the recovery time of desorbed gas molecules on the substrate surface is calculated, and the results indicate that the Au doped SnSe2 is a perfect sensing material for detection and recovery of CO and NO under ?8% strain. 相似文献
3.
Abhendra K. Singh Kaitlyn Kahle Hannah James Allison L. Horner Daniel Villaflor Zach Benedict 《Ceramics International》2021,47(12):17268-17275
In this study the effects of high temperature and moisture on the impact damage resistance and mechanical strength of Nextel 610/alumina silicate ceramic matrix composites were experimentally evaluated. Composite laminates were exposed to either a 1050°C isothermal furnace-based environment for 30 consecutive days at 6 h a day, or 95% relative humidity environment for 13 consecutive days at 67°C. Low velocity impact, tensile and short beam strength tests were performed on both ambient and environmentally conditioned laminates and damage was characterized using a combination of non-destructive and destructive techniques. High temperature and humidity environmental exposure adversely affected the impact resistance of the composite laminates. For all the environments, planar internal damage area was greater than the back side dent area, which in turn was greater than the impactor side dent area. Evidence of environmental embrittlement through a stiffer tensile response was noted for the high temperature exposed laminates while the short beam strength tests showed greater propensity for interlaminar shear failure in the moisture exposed laminates. Destructive evaluations exposed larger, more pronounced delaminations in the environmentally conditioned laminates in comparison to the ambient ones. External damage metrics of the impactor side dent depth and area directly influenced the post-impact tensile strength of the laminates while no such trend between internal damage area and residual strength could be ascertained. 相似文献
4.
Mit Rita Goswami Prayas Singh Pankaj Chamoli Sumit Bhardwaj Kuldeep Kumar Raina Ravi Kumar Shukla 《应用聚合物科学杂志》2021,138(43):51260
ZnO rice like nonarchitects are grafted on the graphene carbon core via a rapid microwave synthesis route. The prepared grafted systems are characterized via XRD, SEM, RAMAN, and XPS to examined the structural and morphological parameters. Zinc oxide grafted graphene sheets (ZnO-G) are further doped in β-phase of polyvinylidene fluoride (PVDF) to prepare the polymer nanocomposites (PNCs) via mixed solvent approach (THF/DMF). β-phase confirmation of PVDF PNCs is done by FTIR studies. It is observed that ZnO-G filler enhances the β-phase content in the PNCs. Non-doped PVDF and PNCs are further studied for rheological behavior under the shear rate of 1–100 s−1. Doping of ZnO-G dopant to the PVDF matrix changes its discontinuous shear thickening (DST) behavior to continues shear thickening behavior (CST). Hydrocluster formation and their interaction with the dopant could be the reason for this striking DST to CST behavioral change. Strain amplitude sweep (10−3% -10%) oscillatory test reveals that the PNCs shows extended linear viscoelastic region with high elastic modulus and lower viscous modulus. Effective shear thickening behavior and strong elastic strength of these PNCs present their candidature for various fields including mechanical and soft body armor applications. 相似文献
5.
Xiaoyuan Sun Zixuan Liu Hao Qian Yunfei Liu Yinong Lyu 《Ceramics International》2021,47(17):24207-24217
A strategy that constructs the morphotropic phase boundary and manipulates the domain structure has been used to design the component of 0.96[Bi0.5(Na0.84K0.16)0.5Ti(1-x)NbxO3]-0.04SrTiO3 (BNKT-4ST-100xNb) to enhance the strain properties for actuator application. Non-equivalent Nb5+ donor doping modulates the phase transition from the mixture of rhombohedral and tetragonal phases to the pseudocubic phase and results in the coexistence of multiple phases. Moreover, the high-resolution TEM confirms the existence of polar nano regions that contribute to the macroscopic relaxor behaviour. The size of the domains is reduced with increasing Nb5+, resulting in an enhanced relaxor behaviour. The ferroelectric-relaxor transition temperature decreases from 85 to below 30 °C, implying a non-ergodic to ergodic relaxor transition. An improved strain of 0.56% and a giant normalized strain of 1120 pm/V were achieved for BNKT-4ST-1.5Nb, which were attributed to the unique domain structure in which nanodomains are embedded in an undistorted cubic matrix. Ferroelectric, antiferroelectric, and relaxor phases coexist. As the electric field is large enough, a reversible phase transition occurs. Furthermore, good temperature stability was obtained due to the stability of the nanodomains, and no degradation in strains was observed even after 104 cycles, which may originate from the reversible phase transition and dynamic domain wall. The results show that this design strategy offers a reference way to improve the strain behaviour and that BNKT-4ST-100xNb ceramics could be a potential material for high-displacement actuator applications. 相似文献
6.
Bin Feng Xin Jiang Guisheng Zou Wengan Wang Tianming Sun Heng Yang Guanlei Zhao Mingye Dong Yu Xiao Hongwei Zhu Lei Liu 《Advanced functional materials》2021,31(29):2102359
The realization of liquid metal-based wearable systems will be a milestone toward high-performance, integrated electronic skin. However, despite the revolutionary progress achieved in many other components of electronic skin, liquid metal-based flexible sensors still suffer from poor sensitivity due to the insufficient resistance change of liquid metal to deformation. Herein, a nacre-inspired architecture composed of a biphasic pattern (liquid metal with Cr/Cu underlayer) as “bricks” and strain-sensitive Ag film as “mortar” is developed, which breaks the long-standing sensitivity bottleneck of liquid metal-based electronic skin. With 2 orders of magnitude of sensitivity amplification while maintaining wide (>85%) working range, for the first time, liquid metal-based strain sensors rival the state-of-art counterparts. This liquid metal composite features spatially regulated cracking behavior. On the one hand, hard Cr cells locally modulate the strain distribution, which avoids premature cut-through cracks and prolongs the defect propagation in the adjacent Ag film. On the other hand, the separated liquid metal cells prevent unfavorable continuous liquid-metal paths and create crack-free regions during strain. Demonstrated in diverse scenarios, the proposed design concept may spark more applications of ultrasensitive liquid metal-based electronic skins, and reveals a pathway for sensor development via crack engineering. 相似文献
7.
为研究钢管套筒灌浆连接轴向受拉破坏过程及破坏机理,试验中设计了16组48个钢管套筒灌浆连接试件,试件采用钢板代替圆钢管,并进行静载试验。分析了灌浆料裂缝扩展过程、荷载-相对位移曲线,并对抗剪键高距比、灌浆料厚度、侧向力等因素对破坏过程及承载力的影响进行分析。结果表明:对于不设置抗剪键的套筒灌浆连接试件,斜裂缝随机产生,裂缝分布不均匀;对于设置抗剪键的套筒灌浆连接试件,裂缝首先出现在底部抗剪键位置处,与水平方向夹角约为30°,随后在中部和上部抗剪键位置处分别出现斜裂缝。由于每个抗剪键上荷载分担并不均匀,与抗剪键接触的灌浆料逐渐达到极限压应力,达到极限状态时,承载力全部由抗剪键间的机械咬合力承担,在连接承载力中,可忽略摩擦力和胶结力作用。随着抗剪键高距比h/s增大,各试件初始剪切刚度相差不大,承载力增大,但增幅逐渐减小,建议抗剪键高距比0.06g/s>0.3,同时需要满足灌浆料灌注的施工要求。 相似文献
8.
《Contact lens & anterior eye》2020,43(5):493-496
PurposeAccommodative micro-fluctuations (AMF) are small dioptric changes during accommodation. The aim of this study was to evaluate and compare changes in AMF when wearing silicone hydrogel contact lenses of two different optical designs.MethodsA multi-centre, randomised, cross-over, non-dispensing study was conducted on 68 adapted contact lens wearers aged 25–35 years to compare AMF responses to a spherical and aspheric silicone hydrogel (comfilcon A) lens designs. A Righton Speedy “i” series Auto Refractometer in accommodation analyser mode was utilized before and after reading a standard text in font size 8 on an iPhone 5 for 20 min at a 25 cm viewing distance. Phone screen brightness was set by automatic adjustment mode and ambient illumination was controlled at all sites.ResultsMean ± SD AMF change from before to after the reading task was 2.25 ± 5.6 and 0.13 ± 5.7 (relative values) for the spherical and aspheric lens designs, respectively. The difference was statistically significant (P = 0.017, Paired t-test).ConclusionsThe smaller change in AMF when using an aspheric lens design suggests reduced ciliary muscle stress when reading print on a smart phone at a close distance for short periods (20 min). Contact lens wearers who frequently use digital devices and are experiencing eye strain may benefit from switching from a spherical design to one that incorporates aspheric optics. 相似文献
9.
Optical studies of residual strain in cadmium telluride (CdTe) films grown using molecular beam epitaxy on gallium arsenide (GaAs) substrate have been performed using photoreflectance techniques. Measurements have been conducted to determine the fundamental transition energy, heavy-hole and light-hole transition energy critical-point parameters in a range of temperatures between 12 and 300 K. There are problems inherent in the fabrication of optoelectronic devices using high-quality CdTe films, due to strain effects resulting from both the lattice mismatch (CdTe: 14.6%) and the thermal expansion coefficient difference. The CdTe film exhibits compressive stress causing valence-band splitting for light and heavy holes. We have used different models to fit the obtained experimental data and, although the critical thickness for the CdTe has been surpassed, the strain due to the lattice mismatch is still significant. However, the strain due to the thermal expansion is dominant. We have found that the fundamental transition energy, E0, is affected by the compressive strain and the characteristic values are smaller than those reported. In addition, the total strain is compressive for the full measured range, since the strain due to the lattice mismatch is one order of magnitude higher than that calculated from the thermal expansion. 相似文献
10.
ABSTRACT This study investigates the effects of strain, strain rates, and forming directions (RD-rolling direction, TD-transverse direction, and ND-normal direction) on adiabatic shear, via dynamic impact compression tests using the Split Hopkinson Pressure Bar (SHPB) apparatus. A modified Johnson-Cook (J-C) constitutive model is proposed, which used to analyse the influence of the constitutive parameters on the sensitivity of adiabatic shear, employing a finite element software. The different sensitivities of adiabatic shear under different directions are explained by combining microscopic analysis and results from mechanical responses. The results show that the sensitivity of adiabatic shear can be related to the time of stress collapse in the following trend: ND?>?TD?>?RD; the sensitivities of these constitutive parameters on adiabatic shear are calculated and compared. 相似文献