Molecular dynamics simulation of the deposition process of cold Ag-clusters under different landing conditions

2014 ◽  
Vol 140 (4) ◽  
pp. 044326 ◽  
Author(s):  
Philipp Thaler ◽  
Alexander Volk ◽  
Martin Ratschek ◽  
Markus Koch ◽  
Wolfgang E. Ernst
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Deposition Process ◽  
Dynamics Simulation ◽  
Ag Clusters

Development in Mechanics Research of Diamond Coatings/WC Interface Based on Molecular Dynamics Simulation

2014 ◽  
Vol 898 ◽  
pp. 41-46
Author(s):  
Xiao Gang Jian ◽  
Yun Hua Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Adhesive Strength ◽  
Deposition Process ◽  
Dynamics Simulation ◽  
Microscopic Structure ◽  
Diamond Coatings ◽  
Paper Briefly ◽  
Film Substrate ◽  
Important Significance

This paper briefly reviews the overseas and domestic research status of the mechanics of hetero film-substrate interface based on molecular dynamics simulation, on this basis building the accurate model of diamond coatings/WC interface and executing the molecular dynamic simulation, exactly measuring the adhesive strength of the diamond coatings/WC interface, finally exploring the influence of interface scales on the adhesive strength of the diamond coatings/WC interface and verifying the feasibility of studying the microscopic structure by molecular dynamics simulation to characterize the mechanical properties of macrostructure, which has important significance for optimizing deposition process of diamond coatings to improve the adhesive strength of the interface.

Molecular Dynamics Simulation of the Influence Factors of Particle Depositing on Surface during Cold Spray

2013 ◽  
Vol 652-654 ◽  
pp. 1916-1924 ◽  
Author(s):  
Hong Gao ◽  
Chao Liu ◽  
Fen Hong Song
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crystalline Structure ◽  
Influence Factors ◽  
Deposition Process ◽  
Dynamics Simulation ◽  
Effective Combination ◽  
Material Hardness ◽  
Higher Temperature ◽  
Soft Cluster

Using molecular dynamics simulation, the influence factors of deposition process, such as cluster incident velocity, material hardness and so on, were studied. The cluster incident velocity influences the combination strength between the substrate and cluster greatly. The higher the cluster velocity is, the stronger the combination strength is, and the faster the cluster forms the crystalline structure like the substrate. Higher temperature of the substrate and the cluster will improve the combination strength. The size of the cluster influences the effect of combination as well. The larger the cluster is, the stronger the combination strength is. If a soft cluster impacts on a hard substrate, because of lack of enough deformation at the interface of the substrate, it is difficult to form the effective combination. If a hard cluster impacts on a soft substrate, the lattice defects occur and the cluster takes a longer time to form crystalline structure.

Molecular Dynamics Simulation of Au Cluster Depositing on Au Surface in Cold Gas Spray

2007 ◽  
Author(s):  
Hong Gao ◽  
Liangju Zhao ◽  
Danling Zeng ◽  
Lijuan Gao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crystalline Structure ◽  
Influence Factors ◽  
Cold Spraying ◽  
Deposition Process ◽  
Local Area ◽  
Dynamics Simulation ◽  
The Impact ◽  
Cold Gas

Cold gas spray is a relatively new coating technique by which coatings can be formed without significant heating of the sprayed powder. In contrast to the conventional thermal spray processes, such as flame, arc, and plasma spraying, in cold spraying there is no melting of particles prior to impact on the substrate. In cold spray, particles are accelerated to a very high velocity by a flowing gas with supersonic speed and the temperature of spray particles is much lower than its melting point. However, being accomplished in so short an interval, the impact and deposition processes are difficult to be observed by experimental ways. Using molecular dynamics simulation, the deposition of nano-scale Au clusters on Au (001) surface was studied. The many-body potential is used to simulate the interatomic force between the atoms. By taking “snapshot”, the impact, deposition process and the final appearances of the cluster and the substrate were observed directly. It is found that both the substrate and the cluster deform and lose the crystalline structure. But after reconstruction and relaxation, both of them recover the crystalline structure. By calculating the temperatures of the substrate and the local area influenced by impinging, it is found that the melt phenomenon occurs during impact and deposition, whereas the temperature of the rest region of the substrate is still below the melt point. In addition, the influence factors on deposition, such as incident velocity and the size of the cluster, are discussed in the paper. Simulation results show that the higher incident velocity or the larger size of the cluster could result in stronger interaction between the substrate and the cluster owing to the higher kinetic energy of the cluster.

Molecular-Dynamics Simulation of the Initial Period of Cluster Deposition

2002 ◽  
Vol 749 ◽  
Author(s):  
K. Shintani ◽  
T. Nakajima ◽  
Y. Taniguchi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Initial Period ◽  
Equations Of Motion ◽  
Atomic Layer ◽  
Deposition Process ◽  
Dynamics Simulation ◽  
Soft Landing ◽  
Embedded Atom ◽  
Embedded Atom Method Potential

ABSTRACTThe initial periods of deposition process of metal clusters in the soft-landing regime are investigated by the molecular-dynamics simulation. The embedded-atom method potential is adopted for calculation of the interaction between metallic atoms. The predictor-corrector method for second-order differential equations is employed for integration of the equations of motion. A simulation begins with equilibration of clusters and a substrate at a specified temperature. The lowest atomic layer in the substrate is fixed and the next few atomic layers are set to be velocity-scaling layers during the deposition process. The periodic boundary conditions are imposed in the horizontal directions. A single cluster with no velocity is deposited on the substrate. The simulations are performed at different temperatures of the clusters and substrate and for different sizes of clusters. How the morphological transition of the deposited nanostructures is affected by these parameters is discussed.

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