A molecular dynamics study of a cascade induced irradiation creep mechanism in pure copper

2022 ◽  
pp. 153518
Author(s):  
Nargisse Khiara ◽  
Fabien Onimus ◽  
Jean-Paul Crocombette ◽  
Laurent Dupuy ◽  
Thomas Pardoen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Pure Copper ◽  
Creep Mechanism ◽  
Irradiation Creep

scholarly journals A novel displacement cascade driven irradiation creep mechanism in α-zirconium: A molecular dynamics study

2020 ◽  
Vol 541 ◽  
pp. 152336
Author(s):  
Nargisse Khiara ◽  
Fabien Onimus ◽  
Laurent Dupuy ◽  
Wassim Kassem ◽  
Jean-Paul Crocombette ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Creep Mechanism ◽  
Irradiation Creep ◽  
Displacement Cascade

Structural and dynamical properties of 13-atom Cu–Co mixed clusters

2021 ◽  
Author(s):  
Shi-Wei Ren
Keyword(s):  
Molecular Dynamics ◽  
Pure Copper ◽  
Similarity Function ◽  
Step Process ◽  
Pure Cobalt ◽  
Pair Separation ◽  
Dynamical Properties ◽  
Mixed Clusters ◽  
Dynamics Method ◽  
Relative Root

In this paper, the geometric structures and the melting-like processes of the 13-atom pure copper, pure cobalt cluster and their 13-atom mixed clusters are investigated and compared by the molecular dynamics method. The calculation shows that the pure copper and cobalt clusters have the standard icosahedral structures and the mixed clusters take on the deformed icosahedral structures. The quantitative analysis shows that the deformations are slight. Moreover, an element similarity function is introduced by which the contribution of the compositions of the clusters to the deformation of the mixed clusters is analyzed and discussed. With the increase of the temperature, the migrating and recombination of the atoms on the surface of the clusters are observed, indicating the starting of the transition from solid-like to liquid-like state for the clusters. Through the calculating of the relative root-mean-squared pair separation fluctuation and monitoring the dynamical structures of the clusters, it is found that the mixed clusters experience a multi-step process in the transition.

On The Mechanism of Interstitial Cluster Migration in α -FE

1998 ◽  
Vol 540 ◽  
Author(s):  
A.V. Barashev ◽  
Yu.N. Osetsky ◽  
D.J. Bacon
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulations ◽  
Microstructure Evolution ◽  
Pure Copper ◽  
Simple Relationship ◽  
Statistical Accuracy ◽  
Jump Frequency ◽  
Temperature Range ◽  
Thermally Activated ◽  
Centre Of Gravity

AbstractRecent molecular dynamics (MD) computer simulations have shown that clusters consisting of up to a few tens of self-interstitial atoms (SIAs) are highly mobile along closed-packed crystallographic directions in pure copper and iron. This effect has important consequences for microstructure evolution in irradiated metals and so it is desirable to investigate the mechanisms of the cluster motion. In the present paper the results of MD modelling of the thermally-activated motion of clusters of 3, 9 and 17 SIAs in α-Fe in the temperature range from 90 to 1400 K are analyzed. The extensive MD data has enabled the migration of clusters, as well as that of individual SIAs in the clusters, to be treated with high statistical accuracy. The correlation between the motion of the centre of gravity of a cluster and the jumps of individual SIAs in the cluster is revealed. It is found that the SIAs in a cluster jump almost independently and their jump frequency depends on the number of SIAs in the cluster. This leads to a simple relationship between the jump frequency of a cluster and the number of SIAs in it. The cluster jump frequency exhibits a deviation from the Arrhenius relationship. The reason for this is discussed.

Simulation study and experiment verification of the creep mechanism of a nickel-based single crystal superalloy obtained from microstructural evolution

RSC Advances ◽  
2016 ◽  
Vol 6 (109) ◽  
pp. 107748-107758 ◽  
Author(s):  
Jingui Yu ◽  
Shiming Zhang ◽  
Qiaoxin Zhang ◽  
Rong Liu ◽  
Mingkai Tang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Microstructural Evolution ◽  
Simulation Study ◽  
Md Simulations ◽  
Creep Mechanism ◽  
Single Crystal Superalloy ◽  
Creep Properties ◽  
Experiment Verification

Molecular dynamics (MD) simulations and experiments were used to understand the creep properties and microstructural evolution of a nickel-based single crystal superalloy.

scholarly journals Molecular Dynamics Simulation on Creep Mechanism of Nanocrystalline Cu-Ni Alloy

2021 ◽  
Vol 18 (1) ◽  
pp. 67
Author(s):  
Kasum Kasum ◽  
Fajar Mulyana ◽  
Mohamad Zaenudin ◽  
Adhes Gamayel ◽  
M. N. Mohammed
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
High Pressure ◽  
Molecular Dynamics Simulation ◽  
Creep Mechanism ◽  
Atomic Scale ◽  
Dynamics Simulation ◽  
Ni Alloy ◽  
Higher Temperature ◽  
Temperature And Pressure

Creep mechanism is an essential mechanism for material when subjected to a high temperature and high pressure. It shows material ability during an extreme application to maintain its structure and properties, especially high pressure and temperature. This test is already done experimentally in many materials such as metallic alloys, various stainless steel, and composites. However, understanding the creep mechanism at the atomic level is challenging due to the instruments  limitation. Still, the improvement of mechanical properties is expected can be done in such a group. In this work, the creep mechanism of the nanocrystalline Cu-Ni alloy is demonstrated in terms of molecular dynamics simulation. The result shows a significant impact on both temperature and pressure. The deformation supports the mechanisms as a result of the grain boundary diffusion. Quantitative analysis shows a more substantial difference in creep-rate at a higher temperature and pressure parameters. This study has successfully demonstrated the mechanism of creep at the atomic scale and may be used for improving the mechanical properties of the material.

Study on Dimension Effect of Punch on Nanoimprint Process for Cu-Ni Alloy

2005 ◽  
Author(s):  
Quang-Cherng Hsu ◽  
Cheng-Da Wu ◽  
Te-Hua Fang
Keyword(s):  
Molecular Dynamics ◽  
Size Effect ◽  
Pure Copper ◽  
Molecular Dynamics Method ◽  
Spring Back ◽  
Repulsive Energy ◽  
Ni Alloy ◽  
Relationship Of ◽  
Dynamics Method ◽  
Nano Imprint

The effects of punch size and molding mechanism on the nanoimprint process of Cu(85%)-Ni(15%) alloy were investigated by molecular dynamics method. The distribution for Cu and Ni atoms was random. In order to examine the punch size effect on nanoimprint process, three punch sizes were studied, namely: 3nm × 3nm, 6nm × 6nm and 9nm × 9nm. The results showed that it was difficult for the material to fully fill into die corner, i.e. at non-smooth geometry in the die, during final period of loading. The forming energy and force increased rapidly, because inter-atomic repulsive energy increased as formed pattern became small. It was not successfully imprinted after unloading in the case of 3nm × 3nm, due to larger spring back. Comparing to nano imprint of pure copper, the current study of nano imprint of Cu-Ni alloy presented a cyclically vibrated relationship of force and displacement showing a more complicated interaction between different kinds of atoms.

scholarly journals In-situ TEM irradiation creep experiment revealing radiation induced dislocation glide in pure copper

2021 ◽  
pp. 117096
Author(s):  
Nargisse Khiara ◽  
Fabien Onimus ◽  
Stéphanie Jublot-Leclerc ◽  
Thomas Jourdan ◽  
Thomas Pardoen ◽  
...  
Keyword(s):  
Pure Copper ◽  
In Situ Tem ◽  
Irradiation Creep ◽  
Creep Experiment ◽  
Dislocation Glide ◽  
Radiation Induced ◽  
Induced Dislocation

TEM study of a biofilm on copper corrosion

1996 ◽  
Vol 54 ◽  
pp. 220-221
Author(s):  
W. A. Chiou ◽  
N. Kohyama ◽  
B. Little ◽  
P. Wagner ◽  
M. Meshii
Keyword(s):  
Marine Bacterium ◽  
Culture Medium ◽  
Copper Alloys ◽  
Pure Copper ◽  
Localized Corrosion ◽  
Natural Seawater ◽  
Copper Corrosion ◽  
New Approach ◽  
The Past ◽  
Copper Tolerant

The corrosion of copper and copper alloys in a marine environment is of great concern because of their widespread use in heat exchangers and steam condensers in which natural seawater is the coolant. It has become increasingly evident that microorganisms play an important role in the corrosion of a number of metals and alloys under a variety of environments. For the past 15 years the use of SEM has proven to be useful in studying biofilms and spatial relationships between bacteria and localized corrosion of metals. Little information, however, has been obtained using TEM capitalizing on its higher spacial resolution and the transmission observation of interfaces. The research presented herein is the first step of this new approach in studying the corrosion with biological influence in pure copper.Commercially produced copper (Cu, 99%) foils of approximately 120 μm thick exposed to a copper-tolerant marine bacterium, Oceanospirillum, and an abiotic culture medium were subsampled (1 cm × 1 cm) for this study along with unexposed control samples.

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