scholarly journals Evaluation of interface toughness of bi-material Ni/Al by molecular dynamics method

2021 ◽  
Vol 3 (4) ◽  
pp. first
Author(s):  
Tran The Quang ◽  
Vuong Van Thanh ◽  
Do Van Truong
Keyword(s):  
Molecular Dynamics ◽  
Fracture Strength ◽  
Tensile Strain ◽  
Embedded Atom Method ◽  
Strain Rates ◽  
Interface Toughness ◽  
Embedded Atom ◽  
Submicron Scale ◽  
Microelectronics Industry ◽  
Dynamics Method

Bi-materials in submicron scale have been widely used in many industries, especially in the microelectronics industry. Due to the different deformation between the two material layers, damage usually occurs on the surface between the two material layers. In this paper, the Molecular dynamics (MD) method is used to investigate the mechanical properties of bi-material Ni/Al under the tensile strain. The examined Ni/Al structure has dimensions of 10.90 nm x 5.27 nm x 4.22 nm/10.93 nm x 5.26 nm x 4.21 nm, with strain rates of 1.83x108s-1, 5.48x108s-1, 1.83x109s-1 and 5.48x109s-1, respectively. The interactions between the atoms in the system are described by the EAM (Embedded Atom Method). The calculated results show that Young's modulus of bi-material Ni/Al does not change under the various strain rates, while the fracture strength of Ni/Al increases with increasing of the strain rates. In addition, the effects of load position and temperature on the fracture strength of Ni/Al are also investigated. With the strain rate of 1.83x108 s-1, the fracture strength of Ni/Al at 100oK and 700oK is 6.6 GPa and 4.3 GPa, respectively. The obtained results of the study are helpful in the design and fabrication of devices based on the bi-material Ni/Al.  

Calculation of Material Properties Using Molecular Dynamics Simulation

2007 ◽  
Author(s):  
Y. H. Park ◽  
J. Tang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
Material Properties ◽  
Morse Potential ◽  
Formation Energy ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Dynamics Method

This paper describes the calculation of material properties of copper (Cu) using the molecular dynamics method. Vacancy formation energy, bulk modulus, surface energy and melting point are calculated using different potentials such as the Morse potential and Embedded Atom Method (EAM). Results obtained from different potentials are discussed and compared with experimental results.

MD Simulation of Dislocation Dynamics in Copper Nanoparticles

2009 ◽  
Vol 1224 ◽  
Author(s):  
Yoshiaki Kogure ◽  
Toshio Kogugi ◽  
Tadatoshi Nozaki ◽  
Masao Doyama
Keyword(s):  
Molecular Dynamics ◽  
Boundary Condition ◽  
Md Simulation ◽  
Dislocation Dynamics ◽  
Embedded Atom Method ◽  
Dislocation Configuration ◽  
Embedded Atom ◽  
Model Crystal ◽  
Embedded Atom Method Potential ◽  
Dynamics Method

AbstractAtomistic configuration and motion of dislocation have been simulated by means of molecular dynamics method. The embedded atom method potential for copper is adopted in the simulation. Model crystal is a rectangular solid containing about 140,000 atoms. An edge dislocation is introduced along [112] direction near the center of model crystal, and the system is relaxed. After the dislocation configuration is stabilized, a shear stress is applied and released. Wavy motion of dislocation is developed on the Peierls valleys when the free boundary condition is adopted. Motion of pinned dislocation is also simulated.

Molecular-Dynamics Study of the Mechanical Properties of Metallic Nanowires

2002 ◽  
Vol 739 ◽  
Author(s):  
T. Nakajima ◽  
K. Shintani
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Tensile Strain ◽  
Uniaxial Extension ◽  
Embedded Atom Method ◽  
Metallic Nanowires ◽  
Embedded Atom ◽  
Method Of Molecular Dynamics ◽  
Embedded Atom Method Potential ◽  
Thinning Process

ABSTRACTThe method of molecular-dynamics is employed to simulate and investigate the deformation of metallic nanowires under tensile strain. The interactions between metallic atoms are calculated by using the embedded-atom method potential. A model nanowire is preliminarily equilibrated at a specified temperature. Then, the uniform uniaxial extension of the nanowire is performed. The thinning process of a metallic nanowire is observed in the sequential snapshots of its morphological change.

Simulation of Dynamics of Liquid-Glass Transition

1995 ◽  
Vol 407 ◽  
Author(s):  
Y. Kogure ◽  
K. Kunitomi ◽  
Y. Nakamura ◽  
M. Doyama
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Liquid Glass ◽  
Embedded Atom Method ◽  
Liquid Sample ◽  
Glass State ◽  
Embedded Atom ◽  
Embedded Atom Method Potential ◽  
Dynamics Method ◽  
Second Peak

ABSTRACTGlass transition of of copper is simulated by the molecular dynamics method. Embedded atom method potential is used. The glass state was produced by quenching the liquid sample, which was produced by melting a crystal. The split second peak in RDF was observed in the glass state.

Molecular Dynamics Simulation of Sputtering with Mmany-Body Interactions

1988 ◽  
Vol 100 ◽  
Author(s):  
Davy Y. Lo ◽  
Tom A. Tombrello ◽  
Mark H. Shapiro ◽  
Don E. Harrison
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Single Crystal ◽  
Low Energy ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Many Body ◽  
Embedded Atom ◽  
Dynamics Simulations ◽  
Small Single Crystal

ABSTRACTMany-body forces obtained by the Embedded-Atom Method (EAM) [41 are incorporated into the description of low energy collisions and surface ejection processes in molecular dynamics simulations of sputtering from metal targets. Bombardments of small, single crystal Cu targets (400–500 atoms) in three different orientations ({100}, {110}, {111}) by 5 keV Ar+ ions have been simulated. The results are compared to simulations using purely pair-wise additive interactions. Significant differences in the spectra of ejected atoms are found.

Evaluation of Ni62Nb38 Bimetallic Glass Formation under Hydrostatically Pressurised Quenching

2020 ◽  
Vol 978 ◽  
pp. 436-445
Author(s):  
Mouparna Manna ◽  
Snehanshu Pal
Keyword(s):  
Molecular Dynamics ◽  
Md Simulation ◽  
Embedded Atom Method ◽  
Cooling Process ◽  
Forming Process ◽  
Glass Forming ◽  
Embedded Atom ◽  
Structural Evaluation ◽  
Fast Cooling ◽  
Compressive Pressure

In this present study, molecular dynamics (MD) simulation has been performed to investigate the influence of applied hydrostatic compressive and tensile pressure on glass forming process of Ni62Nb38 bimetallic glass using embedded atom method (EAM). During fast cooling (~10 K ps-1), tensile and compressive pressure has been applied having 0.001 GPa,0.01 GPa and 0.1 GPa magnitude. The glass transition temperature (Tg) for each pressurized (Tensile and Compressive nature) cooling case has been calculated and Tg is found to be dependent on both magnitude and nature of the pressure applied during cooling process.Voronoi cluster analysis has also been carried out to identify the structural evaluation during hydrostatically pressurised fast cooling process. In case of both hydrostatic tensile and compressive pressurised cooling processes, Tgincreases with the increase of pressure from 0.001 GPa to 0.1 GPa in magnitude.

Non-Equilibrium Molecular Dynamics Simulation of the Rapid Solidification of Metals

1989 ◽  
Vol 159 ◽  
Author(s):  
Cliff F. Richardson ◽  
Paulette Clancy
Keyword(s):  
Molecular Dynamics ◽  
Picosecond Laser ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Non Equilibrium Molecular Dynamics ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
Non Equilibrium

ABSTRACTThe ultra-rapid melting and subsequent resolidification of Embedded Atom Method models of the fcc metals copper and gold are followed using a Non-Equilibrium Molecular Dynamics computer simulation method. Results for the resolidification of an exposed (100) face of copper at room temperature are in good agreement with recent experiments using a picosecond laser. At T = 0.5 Tm, the morphology of the solid/liquid interface is shown to be similar to a Lennard-Jones model. The morphology of the crystal-vapor interface at 92% of Tm shows a significant disordering of the topmost layers. Difficulties with the EAM model for gold are observed. Comparison of the Baskes et al. and Oh and Johnson embedding functions are discussed.

Structural Response of Metal Crystallite with BCC Lattice on Atomic Level under Nanoindentation

2013 ◽  
Vol 592-593 ◽  
pp. 55-58 ◽  
Author(s):  
Dmitrij Sergeevich Kryzhevich ◽  
Aleksandr Vyacheslavovich Korhuganov ◽  
Konstantin Petrovich Zolnikov ◽  
Sergei Grigorievich Psakhye
Keyword(s):  
Molecular Dynamics ◽  
Structural Response ◽  
Data Interpretation ◽  
High Accuracy ◽  
Atomic Level ◽  
Structural Defects ◽  
Embedded Atom Method ◽  
Free Surfaces ◽  
Embedded Atom ◽  
Bcc Lattice

Molecular dynamics investigation of metal crystallite with bcc lattice under nanoindentation was carried out. Potentials of interatomic interactions were calculated on the base of the approximation of the embedded atom method. The potentials chosen make it possible to describe with a high accuracy the elastic and surface properties of the simulated metal and energy parameters of defects, which is important for solution of the task posed in the work. For clarity and simpler indentation data interpretation, an extended cylindrical indenter was used in the investigation and loading was realized by its lateral surface. The simulated crystallite had a parallelepiped shape. The loaded plane of crystallite was modeled as a free surface while the positions of atoms in the opposite plane of crystallite were fixed along the indentation direction. Other planes of crystallite were simulated as free surfaces. The indenter velocity varied from 5 to 25 m/s in different calculations. The loading of the model crystallite was realized at 300 K. Influence of interfaces (free surfaces and grain boundaries) on peculiarities of plastic deformation nucleation and interactions of generated structural defects with interfaces in simulated crystallite under nanoindentation were investigated.

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