Poisson's ratio and Young's modulus in single-crystal copper nanorods under uniaxial tensile loading by molecular dynamics

2017 ◽  
Vol 381 (4) ◽  
pp. 280-283 ◽  
Author(s):  
Zailin Yang ◽  
Qinyou Yang ◽  
Guowei Zhang
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Young’S Modulus ◽  
Poisson’S Ratio ◽  
Tensile Loading ◽  
Poisson's Ratio ◽  
Uniaxial Tensile ◽  
Single Crystal Copper ◽  
Uniaxial Tensile Loading ◽  
Copper Nanorods

scholarly journals Single-crystal copper nanorods under uniaxial tensile load with different period by molecular dynamics

2017 ◽  
Vol 7 ◽  
pp. 2736-2741 ◽  
Author(s):  
Zailin Yang ◽  
Yu Zhang ◽  
Guowei Zhang ◽  
Yong Yang ◽  
Xizhi Wang
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Tensile Load ◽  
Uniaxial Tensile ◽  
Single Crystal Copper ◽  
Copper Nanorods

Modeling the Deformation of FCC Nickel Nanowires which Contain Hydrogen Atoms

2017 ◽  
Vol 15 ◽  
pp. 21-25 ◽  
Author(s):  
Mikhail D. Starostenkov ◽  
Oleg V. Yashin ◽  
Alexander V. Yashin
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
High Speed ◽  
Tensile Loading ◽  
Structural Transformations ◽  
Uniaxial Tensile ◽  
Hydrogen Atoms ◽  
Nickel Nanowires ◽  
Method Of Molecular Dynamics ◽  
Uniaxial Tensile Loading

Using the method of molecular dynamics, FCC Ni nanowires containing hydrogen atoms in octahedral and tetrahedral pores are investigated in the course of high-speed uniaxial tensile loading along the direction <001>. The feature of structural transformations in Ni nanowires containing hydrogen is appearance on the stage of plastic deformation globular (spherical) formations consisting of hydrogen atoms

scholarly journals Effect of Domain Size, Boundary, and Loading Conditions on Mechanical Properties of Amorphous Silica: A Reactive Molecular Dynamics Study

Nanomaterials ◽  
2019 ◽  
Vol 10 (1) ◽  
pp. 54 ◽  
Author(s):  
Truong Vo ◽  
Brett Reeder ◽  
Angelo Damone ◽  
Pania Newell
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Size Effect ◽  
Young’S Modulus ◽  
Amorphous Silica ◽  
Poisson’S Ratio ◽  
Domain Size ◽  
Poisson's Ratio ◽  
Loading Conditions ◽  
Periodic Domains

Mechanical properties are very important when choosing a material for a specific application. They help to determine the range of usefulness of a material, establish the service life, and classify and identify materials. The size effect on mechanical properties has been well established numerically and experimentally. However, the role of the size effect combined with boundary and loading conditions on mechanical properties remains unknown. In this paper, by using molecular dynamics (MD) simulations with the state-of-the-art ReaxFF force field, we study mechanical properties of amorphous silica (e.g., Young’s modulus, Poisson’s ratio) as a function of domain size, full-/semi-periodic boundary condition, and tensile/compressive loading. We found that the domain-size effect on Young’s modulus and Poisson’s ratio is much more significant in semi-periodic domains compared to full-periodic domains. The results, for the first time, revealed the bimodular and anisotropic nature of amorphous silica at the atomic level. We also defined a “safe zone” regarding the domain size, where the bulk properties of amorphous silica can be reproducible, while the computational cost and accuracy are in balance.

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.

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