scholarly journals Elastic Properties of Boron-Nitride Nanotubes through an Atomic Simulation Method

2015 ◽  
Vol 2015 ◽  
pp. 1-5 ◽  
Author(s):  
Jixiao Tao ◽  
Guangmin Xu ◽  
Yuzhou Sun
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Boron Nitride ◽  
Young’S Modulus ◽  
Elastic Properties ◽  
Simulation Method ◽  
Boron Nitride Nanotubes ◽  
Atomic Scale ◽  
Atomic Simulation ◽  
Element Method

The elastic properties of the boron-nitride nanotubes are studied based on an atomic simulation method that is called atomic-scale finite element method. The Tersoff-Brenner potential is used to describe the interaction between boron and nitrogen atoms, and the computational method is established in an atomic-scale scheme similar to the classical finite element method. Young’s modulus is evaluated for the boron-nitride nanotubes, and their buckling behavior is analyzed. It is shown that the diameter has an obvious influence on Young’s modulus of BNNTs, and the buckling is little related to the length of the nanotubes.

scholarly journals A Hybrid Molecular Dynamics/Atomic-Scale Finite Element Method for Quasi-Static Atomistic Simulations at Finite Temperature

2013 ◽  
Vol 81 (5) ◽  
Author(s):  
Ran Xu ◽  
Bin Liu
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Finite Temperature ◽  
Simulation Method ◽  
Atomic Scale ◽  
Atomistic Simulations ◽  
Single Wall Carbon Nanotubes ◽  
Equilibrium Configurations ◽  
Quasi Static Process ◽  
Element Method

In this paper, a hybrid quasi-static atomistic simulation method at finite temperature is developed, which combines the advantages of MD for thermal equilibrium and atomic-scale finite element method (AFEM) for efficient equilibration. Some temperature effects are embedded in static AFEM simulation by applying the virtual and equivalent thermal disturbance forces extracted from MD. Alternatively performing MD and AFEM can quickly obtain a series of thermodynamic equilibrium configurations such that a quasi-static process is modeled. Moreover, a stirring-accelerated MD/AFEM fast relaxation approach is proposed in which the atomic forces and velocities are randomly exchanged to artificially accelerate the “slow processes” such as mechanical wave propagation and thermal diffusion. The efficiency of the proposed methods is demonstrated by numerical examples on single wall carbon nanotubes.

scholarly journals The Elastic Property of Bulk Silicon Nanomaterials through an Atomic Simulation Method

2016 ◽  
Vol 2016 ◽  
pp. 1-6
Author(s):  
Jixiao Tao ◽  
Yuzhou Sun
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Elastic Property ◽  
Young’S Modulus ◽  
Silicon Nanowires ◽  
Young's Modulus ◽  
Poisson Ratio ◽  
Bulk Silicon ◽  
Atomic Simulation ◽  
Element Method

This paper reports a systematic study on the elastic property of bulk silicon nanomaterials using the atomic finite element method. The Tersoff-Brenner potential is used to describe the interaction between silicon atoms, and the atomic finite element method is constructed in a computational scheme similar to the continuum finite element method. Young’s modulus and Poisson ratio are calculated for[100],[110], and[111] silicon nanowires that are treated as three-dimensional structures. It is found that the nanowire possesses the lowest Young’s modulus along the[100] direction, while the[110] nanowire has the highest value with the same radius. The bending deformation of[100] silicon nanowire is also modeled, and the bending stiffness is calculated.

Nanoscale Modeling and Elastic Properties of Portlandite and Graphene Based on Atomic Finite Element Method

2014 ◽  
Vol 711 ◽  
pp. 137-142 ◽  
Author(s):  
Jia Fu ◽  
Fabrice Bernard ◽  
Siham Kamali-Bernard
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Elastic Modulus ◽  
Elastic Properties ◽  
Electrostatic Force ◽  
Practical Importance ◽  
Atomic Scale ◽  
Macro Scale ◽  
Nanoscale Modeling ◽  
Element Method

The development of multi-scale modeling methods reveals to be of undeniable practical importance, especially to describe and predict the mechanical properties of structural materials. The present work aims to relate the atomic scale with the macro-scale performances. To this purpose a model of a crystalline structure based on the Atomic Finite Element Method (AFEM) is developed. The interatomic bonding forces of Van der Waals, the Coulomb electrostatic force and the covalent chemical bond are taken into account. It is then applied to Portlandite (CH) as well as to graphene (triple-layer graphene sheet, TLGSs). Elastic modulus of these structures based on AFEM is determined. Then, modeling of a single crystal can be traced back to the homogenized elastic properties of polycrystals. Elastic constants and elastic modulus by AFEM algorithm are in quite good agreement with literature experiment. These modeling method and algorithm provide some basic reference to other hexagonal structures.

scholarly journals Analysis of Vertical Stiffness of Air Spring Based on Finite Element Method

2018 ◽  
Vol 153 ◽  
pp. 06006
Author(s):  
Jiatong Ye ◽  
Hua Huang ◽  
Chenchen He ◽  
Guangyuan Liu
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Finite Element Simulation ◽  
Element Model ◽  
Simulation Method ◽  
Bench Test ◽  
Air Spring ◽  
Vertical Stiffness ◽  
Element Simulation ◽  
Element Method

In this paper, a finite element model of membrane air spring in the vehicle is established, and its vertical stiffness characteristics under a certain inflation pressure are analysed. The result of finite element simulation method is compared with the result of the air spring bench test. The accuracy and reliability of the finite element simulation method in nonlinear analysis of air spring system are verified. In addition, according to the finite element method, the influence of the installation of the air spring limit sleeve on its stiffness is verified.

The Inverse Prediction for Profile Extrusion Die Based on the Finite Element Method

2014 ◽  
Vol 941-944 ◽  
pp. 2332-2335 ◽  
Author(s):  
Min Zhang ◽  
Chuan Zhen Huang ◽  
Yu Xi Jia ◽  
Jin Long Liu
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Polymer Melt ◽  
Simulation Method ◽  
Extrusion Process ◽  
The Finite Element Method ◽  
Polymer Extrusion ◽  
Extrudate Swell ◽  
Extrusion Die ◽  
Element Method

Considering the extrudate swell, the polymer extrusion process was calculated by the inversed simulation based on the visco-elastic ecology theory. The fluid characteristics of the polymer melt were described by the Phan-Thien and Tanner (PTT) model. The Finite Element Method was used. Based on the simulation data, the extrusion die lips were analyzed. So it is feasible to design the polymer extrusion die lips using inversed simulation method.

Finite element investigation of the vibrational behavior of concentric multi-walled boron nitride and carbon nanotubes

2017 ◽  
Vol 31 (04) ◽  
pp. 1750018 ◽  
Author(s):  
R. Ansari ◽  
S. Rouhi ◽  
A. Nikkar
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Boron Nitride ◽  
Natural Frequencies ◽  
Vacancy Defect ◽  
Boron Nitride Nanotubes ◽  
The Finite Element Method ◽  
Zigzag Nanotubes ◽  
Vibrational Behavior ◽  
Vibrational Characteristics

This paper concerns the vibrational behavior of concentric double-walled and triple-walled carbon and boron nitride nanotubes using the finite element method. Armchair and zigzag nanotubes with different lengths and diameters are considered. Moreover, different boundary conditions are applied on the nanotubes. It is observed that in double-walled nanotubes, when the inner and outer layers are respectively from boron nitride and carbon, the frequencies are larger than those in the reverse arrangement. Investigating the effect of diameter on the first 10 natural frequencies of double-walled and triple-walled nanotubes showed that nanotubes with larger diameters possess smaller frequencies. The effect of diameter is more significant for higher modes. Finally, comparisons are made between the vibrational behavior of concentric carbon and boron nitride double-walled and triple-walled nanotubes. Considering the effect of vacancy defect on the vibrational characteristics of the nanotubes revealed that when all of the walls of the nanotubes are defective, the largest diminish occurs for the fundamental natural frequencies.

Apparent Young's modulus of human radius using inverse finite element method

2006 ◽  
Vol 39 ◽  
pp. S19
Author(s):  
M.R. Bosisio ◽  
M. Talmant ◽  
W. Skalli ◽  
P. Laugier ◽  
D. Mitton
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Young’S Modulus ◽  
Young's Modulus ◽  
Inverse Finite Element Method ◽  
Element Method
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