scholarly journals Research on Mechanical Properties of High-Pressure Anhydrite Based on First Principles

Crystals ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 240
Author(s):  
Xianren Zeng ◽  
Shihui You ◽  
Linmei Li ◽  
Zhangli Lai ◽  
Guangyan Hu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Bulk Modulus ◽  
Young’S Modulus ◽  
First Principles ◽  
Poisson’S Ratio ◽  
Young's Modulus ◽  
Three Dimensional ◽  
Poisson's Ratio ◽  
Physical Parameters ◽  
Three Dimensional Model

This article focuses on the elucidation of a three-dimensional model of the structure of anhydrite crystal (CaSO4). The structure parameters of anhydrite crystal were obtained by means of first principles after structure optimization at 0~120 MPa. In comparison with previous experimental and theoretical calculation values, the results we obtained are strikingly similar to the previous data. The elastic constants and physical parameters of anhydrite crystal were also studied by the first-principles method. Based on this, we further studied the Young’s modulus and Poisson’s ratio of anhydrite crystal, the anisotropy factor, the speed of sound, the minimum thermal conductivity and the hardness of the material. It was shown that the bulk modulus and Poisson’s ratio of anhydrite crystal rose slowly with increasing pressure. The anisotropy characteristics of the Young’s modulus and shear modulus of anhydrite crystal were consistent under various pressure levels, while the difference in the anisotropy characteristics of the bulk modulus appeared. The acoustic velocities of anhydrite crystal tended to be stable with increasing pressure. The minimum thermal conductivity remained relatively unchanged with increasing pressure. However, the material hardness declined gradually with increasing pressure.

scholarly journals The Mechanical Properties and Elastic Anisotropies of Cubic Ni3Al from First Principles Calculations

Crystals ◽  
2018 ◽  
Vol 8 (8) ◽  
pp. 307 ◽  
Author(s):  
Xinghe Luan ◽  
Hongbo Qin ◽  
Fengmei Liu ◽  
Zongbei Dai ◽  
Yaoyong Yi ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Young’S Modulus ◽  
First Principles ◽  
Poisson’S Ratio ◽  
Density Functional ◽  
Young's Modulus ◽  
Small Deviation ◽  
Poisson's Ratio

Ni3Al-based superalloys have excellent mechanical properties which have been widely used in civilian and military fields. In this study, the mechanical properties of the face-centred cubic structure Ni3Al were investigated by a first principles study based on density functional theory (DFT), and the generalized gradient approximation (GGA) was used as the exchange-correlation function. The bulk modulus, Young’s modulus, shear modulus and Poisson’s ratio of Ni3Al polycrystal were calculated by Voigt-Reuss approximation method, which are in good agreement with the existing experimental values. Moreover, directional dependences of bulk modulus, Young’s modulus, shear modulus and Poisson’s ratio of Ni3Al single crystal were explored. In addition, the thermodynamic properties (e.g., Debye temperature) of Ni3Al were investigated based on the calculated elastic constants, indicating an improved accuracy in this study, verified with a small deviation from the previous experimental value.

Effective properties of composite materials containing voids

1993 ◽  
Vol 440 (1909) ◽  
pp. 461-473 ◽  
Keyword(s):  
Young’S Modulus ◽  
Poisson’S Ratio ◽  
Effective Properties ◽  
Young's Modulus ◽  
Matrix Material ◽  
Practical Importance ◽  
Three Dimensional ◽  
Poisson's Ratio ◽  
Two Dimensional ◽  
Isotropic Composite

Recent results of theoretical and practical importance prove that the two-dimensional (in-plane) effective (average) Young’s modulus for an isotropic elastic material containing voids is independent of the Poisson’s ratio of the matrix material. This result is true regardless of the shape and morphology of the voids so long as isotropy is maintained. The present work uses this proof to obtain explicit analytical forms for the effective Young’s modulus property, forms which simplify greatly because of this characteristic. In some cases, the optimal morphology for the voids can be identified, giving the shapes of the voids, at fixed volume, that maximize the effective Young’s modulus in the two-dimensional situation. Recognizing that two-dimensional isotropy is a subset of three-dimensional transversely isotropic media, it is shown in this more general case that three of the five properties are independent of Poisson’s ratio, leaving only two that depend upon it. For three-dimensionally isotropic composite media containing voids, it is shown that a somewhat comparable situation exists whereby the three-dimensional Young’s modulus is insensitive to variations in Poisson’s ratio, v m , over the range 0 ≤ v m ≤ ½, although the same is not true for negative values of v m . This further extends the practical usefulness of the two-dimensional result to three-dimensional conditions for realistic values of v m .

scholarly journals Thermally Tunable Dynamic and Static Elastic Properties of Hydrogel Due to Volumetric Phase Transition

Polymers ◽  
2020 ◽  
Vol 12 (7) ◽  
pp. 1462 ◽  
Author(s):  
Yuqi Jin ◽  
Teng Yang ◽  
Shuai Ju ◽  
Haifeng Zhang ◽  
Tae-Youl Choi ◽  
...  
Keyword(s):  
Phase Transition ◽  
Bulk Modulus ◽  
Young’S Modulus ◽  
Elastic Properties ◽  
Poisson’S Ratio ◽  
Young's Modulus ◽  
Poisson's Ratio ◽  
Solution Temperature ◽  
Temperature Sensitive ◽  
Alginate Hydrogel

The temperature dependence of the mechanical properties of polyvinyl alcohol-based poly n-isopropyl acrylamide (PVA-PNIPAm) hydrogel was studied from the static and dynamic bulk modulus of the material. The effect of the temperature-induced volumetric phase transition on Young’s Modulus, Poisson’s ratio, and the density of PVA-PNIPAm was experimentally measured and compared with a non-thermo-responsive Alginate hydrogel as a reference. An increase in the temperature from 27.5 to 32 °C results in the conventional temperature-dependent de-swelling of the PVA-PNIPAm hydrogel volume of up to 70% at the lower critical solution temperature (LCST). However, with the increase in temperature, the PVA-PNIPAm hydrogel showed a drastic increase in Young’s Modulus and density of PVA-PNIPAm and a corresponding decrease in the Poisson’s ratio and the static bulk modulus around the LCST temperature. The dynamic bulk modulus of the PVA-PNIPAm hydrogel is highly frequency-dependent before the LCST and highly temperature-sensitive after the LCST. The dynamic elastic properties of the thermo-responsive PVA-PNIPAm hydrogel were compared and observed to be significantly different from the thermally insensitive Alginate hydrogel.

scholarly journals Experimental Characterization and Modeling Multifunctional Properties of Epoxy/Graphene Oxide Nanocomposites

Polymers ◽  
2021 ◽  
Vol 13 (16) ◽  
pp. 2831
Author(s):  
Naresh Kakur ◽  
Kamran A. Khan ◽  
Rehan Umer
Keyword(s):  
Thermal Conductivity ◽  
Graphene Oxide ◽  
Young’S Modulus ◽  
Poisson’S Ratio ◽  
Young's Modulus ◽  
Image Correlation ◽  
Poisson's Ratio ◽  
Mechanical And Thermal Properties ◽  
Temperature Dependent ◽  
Frequency Temperature

Thermomechanical modeling of epoxy/graphene oxide under quasi-static and dynamic loading requires thermo-mechanical properties such as Young’s modulus, Poisson’s ratio, thermal conductivity, and frequency-temperature dependent viscoelastic properties. In this study, the effects of different graphene oxide (GO) concentrations (0.05, 0.1, and 0.2 wt%) within an epoxy matrix on several mechanical and thermal properties were investigated. The distribution of GO fillers in the epoxy was investigated using transmission electron microscopy (TEM). The digital image correlation (DIC) technique was employed during the tensile testing to determine Young’s modulus and Poisson’s ratio. Analytical models were used to predict Young’s modulus and thermal conductivity, with an error of less than 13% and 9%, respectively. Frequency–temperature dependent phenomenological models were proposed to predict the storage moduli and loss tangent, with a reasonable agreement with experimental data. A relatively high storage modulus, heat-resistance index (THRI), and thermal conductivity were observed in 0.2 wt% nanocomposite samples compared with pure epoxy and other lower concentration GO nanocomposites. A high THRI and derivative of thermogravimetric analysis peak temperatures (Tm1 and Tm2) were exhibited by adding nano-fillers in the epoxy, which confirms higher thermal stability of nanocomposites than that of pristine epoxy.

Elastic Constants of Magnesium Thorium Alloy

1967 ◽  
Vol 89 (1) ◽  
pp. 93-97
Author(s):  
J. R. Asay
Keyword(s):  
Shear Modulus ◽  
Bulk Modulus ◽  
Young’S Modulus ◽  
Poisson’S Ratio ◽  
Young's Modulus ◽  
Longitudinal Velocity ◽  
Shear Velocity ◽  
Polycrystalline Sample ◽  
Poisson's Ratio ◽  
Wave Measurements

The longitudinal and shear wave velocities in a polycrystalline sample of magnesium thorium alloy were measured by a pulse transmission technique as a function of temperature. Temperatures ranged from 25 C to about 350 deg C for longitudinal wave measurements and to about 220 deg C for shear measurements. The resulting velocity data were used to calculate various elastic properties of the material, including Young’s modulus, shear modulus, bulk modulus, and Poisson’s ratio. The resulting least squares fits for these data are: Longitudinal velocity, cl = 5.749 − 3.987 × 10−4T − 1.139 × 10−6T2mm/μsec; shear velocity, ct = 3.108 − 1.421 × 10−4T − 2.588 × 10−6T2mm/μsec; bulk modulus, B = 3.576 × 10″ − 2.744 × 107T + 1.187 × 105T2 dynes/cm2; Young’s modulus, E = 4.435 × 10″ − 1.415 × 107T = 6.037 × 105T2 dynes/cm2; shear modulus, G = 1.716 × 10″ − 7.994 × 106T − 2.619 × 105T2 dynes/cm2; Poisson’s ratio, σ = 0.293 − 6.459 × 10−6T + 3.392 × 10−7T2.

Relaxor Single-Crystal Plates with Nano-Size Ferroelectric Domains Applying to Ultrasonic Prove for Medical Uses

2016 ◽  
Vol 102 ◽  
pp. 57-64
Author(s):  
Toshio Ogawa ◽  
Taiki Ikegaya
Keyword(s):  
Bulk Modulus ◽  
Single Crystal ◽  
Grain Boundaries ◽  
Single Crystals ◽  
Young’S Modulus ◽  
Elastic Constants ◽  
Poisson’S Ratio ◽  
Young's Modulus ◽  
Poisson's Ratio ◽  
Domain Alignment

Sound velocities were measured in relaxor single-crystal plates, included in piezoelectric transducers for medical uses, using an ultrasonic precision thickness gauge with high-frequency pulse generation. The velocities were compared with the ones of piezoelectric ceramics in order to clarify characteristics of the single crystals. Estimating the difference in the sound velocities and elastic constants in the single crystals and ceramics, it was possible to evaluate effects of domain and grain boundaries on elastic constants. Existence of domain boundaries in single crystal affected the decrease in Young’s modulus, rigidity, Poisson’s ratio and bulk modulus. While existence of grain boundaries affected the decrease in Young’s modulus and rigidity, Poisson’s ratio and bulk modulus increased. It was thought these phinomina come from domain alignment by DC poling, and both the boundaries act as to absorb mechanical stress by defects due to the boundaries. In addition, the origin of piezoelectricity in single crystals is caused by low bulk modulus and Poisson’s ratio, and high Young’s modulus and rigidity in comparison with ceramics. On the contrary, the origin of piezoelectricity in ceramics is caused by high Poisson’s ratio by high bulk modulus, and furthermore, low Young’s modulus and rigidity due to domain alignment.

scholarly journals The Geomechanics and the Acoustic Anisotropy of Reservoir Rocks

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Ahmed Zarzor Al-Yaseri
Keyword(s):  
Bulk Modulus ◽  
Young’S Modulus ◽  
Poisson’S Ratio ◽  
Reservoir Characterization ◽  
Young's Modulus ◽  
Petroleum Industry ◽  
Wellbore Stability ◽  
Production Performance ◽  
Acoustic Properties ◽  
Poisson's Ratio

Knowing the mechanical properties (Young’s modulus (E)( , Poisson’s Ratio (ν), Shear Modulus (G), Bulk modulus (K) and compressibility which is the inverse of Bulk modulus) of the rocks involve in a reservoir, are critical factors for reservoir characterization). Those properties affect a wide variety of applications into the petroleum industry; from drilling well planning and execution to production performance (sand production, compaction, subsidence, etc) passing through a wide variety of topics like wellbore stability, well completions and of course reservoir characterization. For these reasons, the knowledge of these properties is really valuable for people working in the petroleum industry and of course working in reservoir characterization. This study was located in Berea town, Oklahoma, and it was intended to identify the geomechanical and acoustic properties of a sandstone sample. The Berea sandstone elastic properties are characterized using two methods: Quasi static and Dynamic. A detailed explanation of the sample preparation and the testing procedure is provided. Calculation results for both methods showed consistent values for the Young’s modulus being around 3,000,000 psi. The Poisson’s Ratio value is between 0.13 and 0.3. This study was performed in the PoroMechanics Institute (PMI) in the Sarkeys Energy Center at the University of Oklahoma, USA. Monitoring equipment was used to obtain all the information necessary for the proper characterization of the rock. The results of this work are a good tool that can be used in future simulations such as hydraulic fracturing treatment, reservoir fluid flow or reserve estimation.

Effect of Carbon Black on Poisson's Ratio of Elastomers

1975 ◽  
Vol 48 (2) ◽  
pp. 246-253 ◽  
Author(s):  
B. P. Holownia
Keyword(s):  
Carbon Black ◽  
Bulk Modulus ◽  
Experimental Method ◽  
Young’S Modulus ◽  
Poisson’S Ratio ◽  
Young's Modulus ◽  
Poisson's Ratio ◽  
Carbon Black Content ◽  
Practical Applications ◽  
Incompressible Materials

Abstract The experimental method developed is mostly suitable for measuring K of relatively incompressible materials such as members of the elastomer family. The accuracy of K values are estimated to be within ±3% for all rubber specimens. Its use can be extended to plastics with somewhat reduced accuracy. The results show that bulk modulus K for the four different rubbers tested increases almost linearly with carbon black content while the Young's modulus E increases much more rapidly as shown in Figure 3. It is interesting to note that Poisson's ratio v calculated using K and E does not fall below 0.4940 (Figure 5), and the value of v=0.4997 as quoted in engineering handbooks would be reasonable to use for most practical applications where the carbon black content is not excessive.

scholarly journals Anisotropies in Elasticity, Sound Velocity, and Minimum Thermal Conductivity of Low Borides VxBy Compounds

Metals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 577
Author(s):  
Jing Yu ◽  
Yongmei Zhang ◽  
Yuhong Zhao ◽  
Yue Ma
Keyword(s):  
Thermal Conductivity ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Sound Velocity ◽  
Young’S Modulus ◽  
Elastic Anisotropy ◽  
Young's Modulus ◽  
Three Dimensional ◽  
Young’S Moduli ◽  
Crystallographic Planes

Anisotropies in the elasticity, sound velocity, and minimum thermal conductivity of low borides VB, V5B6, V3B4, and V2B3 are discussed using the first-principles calculations. The various elastic anisotropic indexes (AU, Acomp, and Ashear), three-dimensional (3D) surface contours, and their planar projections among different crystallographic planes of bulk modulus, shear modulus, and Young’s modulus are used to characterize elastic anisotropy. The bulk, shear, and Young’s moduli all show relatively strong degrees of anisotropy. With increased B content, the degree of anisotropy of the bulk modulus increases while those of the shear modulus and Young’s modulus decrease. The anisotropies of the sound velocity in the different planes show obvious differences. Meanwhile, the minimum thermal conductivity shows little dependence on crystallographic direction.

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