scholarly journals Mechanical Properties of DO3 Based on First Principles

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 488
Author(s):  
Qingdong Zhang ◽  
Gang Huang ◽  
Shuo Li

The elastic constants, ideal strength, band structure and electronic density state of Fe3Si (DO3) under triaxial tension and triaxial compression were studied using the first principle. The structural parameters calculated at zero pressure are consistent with the experimental results. The dependence of elastic constant and strain can be obtained using static finite strain technique. The ideal triaxial tensile and compressive strength of DO3 were studied by calculating the stress–strain relationship. The micro mechanism that affects the stability of the structure was analyzed using the results of electronic structure calculation. The results showed that the compressive strength of DO3 structure is higher than the tensile strength. When the stress of cell structure exceeds a limit, the covalent bond of Fe–Si is destroyed, resulting in the sudden decrease of G and E and the abnormal change of electronic density of state.

2012 ◽  
Vol 226-228 ◽  
pp. 1279-1284
Author(s):  
De Yi Jiang ◽  
Xue Qin Fan ◽  
Tao Ren ◽  
Jie Chen ◽  
Song Ren

Since mudstone interlayer has a big influence on the mechanic property of layered rock salt, and in order to research its law, the mudstone which strength is lower than pure rock is used as a interlayer to make the regular layer of salt formation, then both the uniaxial and triaxial compression test are carried out on the layer of salt formation. The result indicates: (1) As the thickness of interlayer increases the uniaxial compressive strength and elastic modulus of layer type salt decrease. (2) On the condition that the thickness of interlayer does not change, the more the interlayer number, the stronger the uniaxial compressive strength. (3) If the total thickness of interlayer is stable and the interlayer number is same, then as the distance of interlayer increases the uniaxial compressive strength and elastic modulus of layer type salt decrease. The result provides practical value and theoretic basis on the further research of the mechanic property of layered rock soil and on the analysis of the stability of Karst underground salt cavity reservoir.


2020 ◽  
Vol 2020 ◽  
pp. 1-7
Author(s):  
Yu Zheng ◽  
Xudong Luo ◽  
Jinlong Yang ◽  
Wenlong Huo ◽  
Chi Kang

A novel approach is used for fabricating steel slag foam ceramics based on the particle-stabilized foaming method. In this work, steel slag was used as the raw material and propyl gallate (PG) was used as the surface modifier. For the first time, steel slag ceramic foams were successfully fabricated based on particle-stabilized foams. The results show that the stability of the ceramic foams was closely related to the pH value and PG concentration. The porosity and compressive strength could be controlled by changing the solid loading of steel slag and sintering temperature. The porosity of steel slag foam ceramics ranged from 85.6% to 62.53%, and the compressive strength was from 1.74 MPa to 10.42 MPa. The thermal conductivity of steel slag foam ceramics was only 0.067 W (m·K)−1, which shows that it could be used as a thermal insulation material.


2007 ◽  
Vol 280-283 ◽  
pp. 185-188 ◽  
Author(s):  
Jing Zhou ◽  
Wen Chen ◽  
Hua Jun Sun ◽  
Qing Xu

The electron structure of Pb(Zr1/2Ti1/2)O3(PZT), Pb(Zn1/3Nb2/3)O3(PZN) and Pb(Mn1/3Sb2/3)O3 (PMS) systems was calculated by the SCF-DV-Xα calculation method. The effects of ABO3-type perovskite and pyrochlore ceramic electron structure on their piezoelectricity were also studied. The results showed that the ferroelectric phase is more stable than paraelectric phase and the necessary condition of stable existing ferroelectric is the mixed orbit of O2p orbit and the out layer d orbit of B-site atom. The stability of ferroelectricity can be indicated by the strength of mixed orbit. When (Zr, Ti) was substituted by Mn1/3Sb2/3, Zn1/3Nb2/3, if it could form tetragonal perovskite structure, the total system energy would reduce and the mixed orbit will enhance, which improves the ferroelectricity of PZT system. However, if it forms a cubic pyrochlore structure, the ferroelectricity would lose because the covalent bond strength of B-O (axial direction) and B-O (vertical axial direction) is different obviously, which lead to the system structure become unstable.


Author(s):  
Federico Cheli ◽  
Marco Bocciolone ◽  
Marco Pezzola ◽  
Elisabetta Leo

The study of motorcycle’s stability is an important task for the passenger’s safety. The range of frequencies involved for the handling stability is lower than 10 Hz. A numerical model was developed to access the stability of a motorcycle vehicle in this frequency range. The stability is analysed using a linearized model around the straight steady state condition. In this condition, the vehicle’s vertical and longitudinal motion are decoupled, hence the model has only four degrees of freedom (steering angle, yaw angle, roll angle and lateral translation), while longitudinal motion is imposed. The stability was studied increasing the longitudinal speed. The input of the model can be either a driver input manoeuvre (roll angle) or a transversal component of road input able to excite the vibration modes. The driver is introduced in the model as a steering torque that allows the vehicle to follow a reference trajectory. To validate the model, experimental tests were done. To excite the vehicle modes, the driver input was not taken into account considering both the danger for the driver and the repeatability of the manoeuvre. Two different vehicle configurations were tested: vehicle 1 is a motorcycle [7] and vehicle 2 is a scooter. Through the use of the validated model, a sensitivity analysis was done changing structural (for example normal trail, steering angle, mass) and non structural parameters (for example longitudinal speed).


Clay Minerals ◽  
1984 ◽  
Vol 19 (5) ◽  
pp. 857-864 ◽  
Author(s):  
H. G. Midgley

AbstractHydrating high-alumina cement will react with calcium carbonate to form the complex mineral calcium carboaluminate hydrate, 3CaO.Al2O3.CaCO3.12H2O. This mineral is reported to be capable of providing strength in concrete and so may provide an alternative to the minerals normally found in the hydration of high-alumina cement, which may under certain conditions convert to other minerals with a loss in strength. Some doubt has been cast on the stability of calcium carboaluminate hydrate and it has been found that in hydrated high-alumina cement, calcium carboaluminate hydrate decomposes at temperatures in excess of 60°C. Cube compressive strength tests on high-alumina cement and high-alumina cement-calcium carbonate pastes have shown that the latter have a lower strength than pastes made with high-alumina cement alone. When cured at 50°C the high-alumina cement-calcium carbonate pastes show a loss in strength with curing time. Cements made with the high-alumina cement-calcium carbonate mixture always have a lower strength than those made with high-alumina cement alone and so no advantage is gained from their use.


2016 ◽  
Vol 73 (6) ◽  
pp. 572-576 ◽  
Author(s):  
Milorad Milivojevic ◽  
Vladimir Petrovic ◽  
Miroslav Vukosavljevic ◽  
Ivan Marjanovic ◽  
Mirko Resan

Background/Aim. Enlargement of optical zone (OZ) diameter during laser in situ keratomileusis (LASIK) correction of myopia postoperatively improves the optical outcome, however, it also leads to the increased stroma tissue consumption - progressive corneal thinning. The aim of this investigation was to present the possibility of safe OZ enlargement without impairing the structural stability of the cornea, while obtaining an improved optical outcome with LASIK treatment of shortsightedness. Methods. Preoperative assessment of the cornea structure and prediction of the ablated stroma tissue consumption was conducted in 37 patients (74 eyes) treated for shortsightedness by means of the LASIK method. With the eyes that, according to their cornea structure, had the capacity for OZ diameter enlargement of 0.5 mm, LASIK treatment was performed within the wider OZ diameter of 7.0 mm compared to the standard 6.5 mm. The following two groups were formed, depending on the diameter of the utilized OZ: the group I (the eyes treated with the OZ 6.5 mm, n = 37) and the group II (the eyes treated with the OZ 7.0 mm, n = 37). Results. No significant difference in the observed structural parameters of the cornea was detected between the groups of patients treated with different OZ diameters. The values of all the parameters were significantly bellow the threshold values for the development of postoperative ectasia. Conclusion. Diameter enlargement of the treated OZ, if there is a preoperative cornea capacity for such enlargement, will not impair the postoperative stability of the cornea structure, and will significantly improve the optical outcome.


2021 ◽  
Author(s):  
O. T. Uto ◽  
J. O. Akinlami ◽  
S. Kenmoe ◽  
G. A. Adebayo

Abstract The CoYSb (Y = Cr, Mo and W) compounds which are XYZ type half-Heusler alloys and also exist in the face centred cubic MgAgAs-type struc-ture conform to F ̄43m space group. In the present work, these compoundsare investigated in different atomic arrangements called, Type-I, Type-II andType-III phases, using Generalized Gradient Approximation (GGA) in the Density Functional Theory (DFT) implemented in QE (Quantum EspressoAb-Initio Simulation Package). The ferromagnetic state of these alloys is studied after investigating their stable structural phase. The calculated electronic band structure and the total electronic density of states indicated nearly half-metallic behaviour in CoMoSb with a possibility of being used in spintronic application, metallic in CoWSb and half-metallic in CoCrSb, with the minority spin band gap of 0.81 eV. Furthermore, the calculated mechanical properties predicted an anisotropic behaviour of these alloys in the stable phase. Finally, due to its high Debye temperature value, CoCrSb possesses a stronger covalent bond than CoMoSb and CoWSb, respectively.


2020 ◽  
Vol 2020 ◽  
pp. 1-10
Author(s):  
Jun Fu ◽  
Yi Xiang ◽  
Ming Ni ◽  
Xiaojuan Qu ◽  
Yonggang Zhou ◽  
...  

Background and Purpose. This study established an animal model of the acetabular bone defect in swine and evaluated the bone ingrowth, biomechanics, and matching degree of the individualized three-dimensional (3D) printed porous augment. Methods. As an acetabular bone defect model created in Bama miniswine, an augment individually fabricated by 3D print technique with Ti6Al4V powders was implanted to repair the defect. Nine swine were divided into three groups, including the immediate biomechanics group, 12-week biomechanics group, and 12-week histological group. The inner structural parameters of the 3D printed porous augment were measured by scanning electron microscopy (SEM), including porosity, pore size, and trabecular diameter. The matching degree between the postoperative augment and the designed augment was assessed by CT scanning and 3D reconstruction. In addition, biomechanical properties, such as stiffness, compressive strength, and the elastic modulus of the 3D printed porous augment, were measured by means of a mechanical testing machine. Moreover, bone ingrowth and implant osseointegration were histomorphometrically assessed. Results. In terms of the inner structural parameters of the 3D printed porous augment, the porosity was 55.48 ± 0.61 % , pore size 319.23 ± 25.05   μ m , and trabecular diameter 240.10 ± 23.50   μ m . Biomechanically, the stiffness was 21464.60 ± 1091.69   N / mm , compressive strength 231.10 ± 11.77   MPa , and elastic modulus 5.35 ± 0.23   GPa , respectively. Furthermore, the matching extent between the postoperative augment and the designed one was up to 91.40 ± 2.83 % . Besides, the maximal shear strength of the 3D printed augment was 929.46 ± 295.99   N immediately after implantation, whereas the strength was 1521.93 ± 98.38   N 12 weeks after surgery ( p = 0.0302 ). The bone mineral apposition rate (μm per day) 12 weeks post operation was 3.77 ± 0.93   μ m / d . The percentage bone volume of new bone was 22.30 ± 4.51 % 12 weeks after surgery. Conclusion. The 3D printed porous Ti6Al4V augment designed in this study was well biocompatible with bone tissue, possessed proper biomechanical features, and was anatomically well matched with the defect bone. Therefore, the 3D printed porous Ti6Al4V augment possesses great potential as an alternative for individualized treatment of severe acetabular bone defects.


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