scholarly journals Systematic exploration of the mechanical properties of 13 621 inorganic compounds

2019 ◽  
Vol 10 (37) ◽  
pp. 8589-8599 ◽  
Author(s):  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Mechanical Properties ◽  
Elastic Properties ◽  
Inorganic Compounds ◽  
Systematic Exploration ◽  
Linear Compressibility

Exploring elastic properties of 13 621 crystals highlights how rare auxeticity and negative linear compressibility are.

scholarly journals Systematic Exploration of the Mechanical Properties of 13,324 Inorganic Compounds

2019 ◽  
Author(s):  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Mechanical Properties ◽  
Elastic Properties ◽  
Large Scale ◽  
Mechanical Stability ◽  
Elastic Anisotropy ◽  
Inorganic Compounds ◽  
Crystalline Materials ◽  
Systematic Exploration ◽  
Feature Negative ◽  
Linear Compressibility

In order to better understand the mechanical properties of crystalline materials, we performed a large-scale exploration of the elastic properties of 13,324 crystals from the Materials Project database, including both experimentally synthesized and hypothetical structures. We studied both their average (isotropic) behavior, as well as the anisotropy of the elastic properties: bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and linear compressibility. We show that general mechanical trends, which hold for isotropic (noncrystalline) materials at the macroscopic scale, also apply “on average” for crystals. Further, we highlight the importance of elastic anisotropy and the role of mechanical stability as playing key roles in the experimental feasibility of hypothetical compounds. We also quantify the frequency of occurrence of rare anomalous mechanical properties: 3% of the crystals feature negative linear compressibility, and only 0.3% have complete auxeticity.

scholarly journals Systematic Exploration of the Mechanical Properties of 13,621 Inorganic Compounds

2019 ◽  
Author(s):  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Mechanical Properties ◽  
Elastic Properties ◽  
Large Scale ◽  
Mechanical Stability ◽  
Elastic Anisotropy ◽  
Inorganic Compounds ◽  
Crystalline Materials ◽  
Systematic Exploration ◽  
Feature Negative ◽  
Linear Compressibility

In order to better understand the mechanical properties of crystalline materials, we performed a large-scale exploration of the elastic properties of 13,621 crystals from the Materials Project database, including both experimentally synthesized and hypothetical structures. We studied both their average (isotropic) behavior, as well as the anisotropy of the elastic properties: bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and linear compressibility. We show that general mechanical trends, which hold for isotropic (noncrystalline) materials at the macroscopic scale, also apply “on average” for crystals. Further, we highlight the importance of elastic anisotropy and the role of mechanical stability as playing key roles in the experimental feasibility of hypothetical compounds. We also quantify the frequency of occurrence of rare anomalous mechanical properties: 3% of the crystals feature negative linear compressibility, and only 0.3% have complete auxeticity.

scholarly journals Systematic Exploration of the Mechanical Properties of 13,621 Inorganic Compounds

2019 ◽  
Author(s):  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Mechanical Properties ◽  
Elastic Properties ◽  
Large Scale ◽  
Mechanical Stability ◽  
Elastic Anisotropy ◽  
Inorganic Compounds ◽  
Crystalline Materials ◽  
Systematic Exploration ◽  
Feature Negative ◽  
Linear Compressibility

In order to better understand the mechanical properties of crystalline materials, we performed a large-scale exploration of the elastic properties of 13,621 crystals from the Materials Project database, including both experimentally synthesized and hypothetical structures. We studied both their average (isotropic) behavior, as well as the anisotropy of the elastic properties: bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and linear compressibility. We show that general mechanical trends, which hold for isotropic (noncrystalline) materials at the macroscopic scale, also apply “on average” for crystals. Further, we highlight the importance of elastic anisotropy and the role of mechanical stability as playing key roles in the experimental feasibility of hypothetical compounds. We also quantify the frequency of occurrence of rare anomalous mechanical properties: 3% of the crystals feature negative linear compressibility, and only 0.3% have complete auxeticity.

scholarly journals Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

2015 ◽  
Vol 44 (43) ◽  
pp. 18769-18779 ◽  
Author(s):  
Philippe F. Weck ◽  
Eunja Kim ◽  
Veena Tikare ◽  
John A. Mitchell
Keyword(s):  
Mechanical Properties ◽  
Perturbation Theory ◽  
Elastic Properties ◽  
Density Functional ◽  
Mechanical Stability ◽  
Zirconium Alloys ◽  
Density Functional Perturbation Theory ◽  
Zirconium Hydrides

The elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy Pn3̄m δ-ZrH1.5 phase is not mechanically stable.

Mechanical properties of nickel beryllides

1989 ◽  
Vol 4 (6) ◽  
pp. 1347-1353 ◽  
Author(s):  
T. G. Nieh ◽  
J. Wadsworth ◽  
C. T. Liu
Keyword(s):  
Crystal Structure ◽  
Mechanical Properties ◽  
Elastic Properties ◽  
Room Temperature ◽  
Vickers Microhardness ◽  
Interstitial Oxygen ◽  
Equiatomic Composition ◽  
Room Temperature Ductility ◽  
Hardness Increase ◽  
Microhardness Tester

The elastic properties of nickel beryllide have been evaluated from room temperature to 1000 °C. The room temperature modulus is measured to be 186 GPa, which is relatively low by comparison with other B2 aluminides such as NiAl and CoAl. Hardness measurements were carried out on specimens that had compositions over the range from 49 to 54 at. % Be, using both a Vickers microhardness tester and a nanoindentor. It was found that the hardness of NiBe exhibits a minimum at the equiatomic composition. This behavior is similar to that of aluminides of the same crystal structure, e.g., NiAl and CoAl. The effect of interstitial oxygen on the hardness of NiBe has also been studied and the results show that the presence of oxygen in NiBe can cause a significant increase in hardness. It is demonstrated that the hardness increase for the off-stoichiometric compositions is primarily caused by interstitial oxygen and can only be attributed partially to anti-site defects generated in off-stoichiometric compositions. Nickel beryllides appear to have some intrinsic room temperature ductility, as evidenced by the absence of cracking near hardness indentations.

Mechanical Properties of Basement Membrane

Physiology ◽  
1995 ◽  
Vol 10 (1) ◽  
pp. 30-35 ◽  
Author(s):  
LW Welling ◽  
MT Zupka ◽  
DJ Welling
Keyword(s):  
Mechanical Properties ◽  
Basement Membrane ◽  
Elastic Properties ◽  
Safety Margin ◽  
Basement Membranes ◽  
Alveolar Wall ◽  
Renal Tubules ◽  
Young’S Moduli

Basement membranes from renal tubules, capillaries, venules, and pulmonary alveolar wall all have remarkably similar elastic properties and Young's moduli. Strength and safety margin, however, are far smaller in the alveolar wall, perhaps as a result of its complexity of design.

scholarly journals Sialon and Alumina Modified UV-Curable Coatings with Improved Mechanical Properties and Hydrophobicity

Coatings ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1424
Author(s):  
Mariola Robakowska ◽  
Łukasz Gierz ◽  
Hubert Gojzewski
Keyword(s):  
Mechanical Properties ◽  
Contact Angle ◽  
Inorganic Compounds ◽  
Surface Hydrophobicity ◽  
Scratch Resistance ◽  
Aluminum Oxynitride ◽  
Uv Curable ◽  
Scratch Hardness ◽  
Coating Surface ◽  
Inorganic Fillers

This article describes the modification of UV-curable coatings with silicon aluminum oxynitride (Sialon) and aluminum oxide (Alu C), which improve the hydrophobicity of the coating surface and the scratch hardness. The contact angle is greater due to surface roughness being enhanced with inorganic fillers. Improved scratch resistance results from the formation of a sliding layer triggered by the diffusion of Sialon or alumina on the coating surface. One can observed an increase in the surface hydrophobicity as well as in the scratch hardness (up to 100%) when small amounts (5 wt.%) of the inorganic compounds are added. Imaging microscopies, i.e., SEM, OM, and AFM (with nanoscopic Young’s modulus determination), revealed the good distribution of both types of fillers in the studied matrix.

scholarly journals Analysis of Mechanical Properties of the “Bearing” Part Based on Polished Samples

2017 ◽  
Vol 67 (2) ◽  
pp. 85-90
Author(s):  
Zdeněk Padovec ◽  
Radek Sedláček ◽  
Milan Růžička ◽  
Pavel Růžička
Keyword(s):  
Mechanical Properties ◽  
Image Analysis ◽  
Elastic Properties ◽  
Fe Analysis ◽  
Reinforced Composite ◽  
Bearing Part

AbstractPresented work describes the use of algorithm for the computation of thermo-elastic properties of randomly reinforced composite which is based on histogram from image analysis done on ITAM, CAS. Three polished samples from “Bearing” part were analyzed. Results are used for verification of the algorithm functionality and primarily for computation of thermo-elastic properties which were compared with each other and used in modified FE analysis.

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