Computer Simulation of Defect Production and Behaviour in Displacement Cascades in Metals

1998 ◽  
Vol 540 ◽  
Author(s):  
D.J. Bacon ◽  
F. Gao ◽  
A.V. Barashev ◽  
Yu.N. Osetsky
Keyword(s):  
Computer Simulation ◽  
Radiation Damage ◽  
Defect Formation ◽  
Irradiation Temperature ◽  
Cascade Process ◽  
Successful Development ◽  
Defect Production ◽  
Displacement Cascades ◽  
Frenkel Defects ◽  
Atom Energy

AbstractRecent research using molecular dynamics to simulate radiation damage due to displacement cascades in metals is reviewed. It includes results dealing with the effect on defect formation of primary knock-on atom energy and irradiation temperature. Clear dependencies and trends have emerged in these areas. In terms of the development of models to describe the evolution of radiation damage microstructure, the important parameters are not only the total number of Frenkel defects but also the distribution of their population in clusters and the form and mobility of these clusters. Results on these aspects are reviewed and it is shown that computer simulation is providing detailed information that paves the way for successful development of models of the evolution of damage beyond the stage of the cascade process.

Computer Simulation of Defect Production and Behaviour in Displacement Cascades in Metals

1998 ◽  
Vol 538 ◽  
Author(s):  
D.J. Bacon ◽  
F. Gao ◽  
A.V. Barashev ◽  
Yu.N. Osetsky
Keyword(s):  
Computer Simulation ◽  
Radiation Damage ◽  
Defect Formation ◽  
Irradiation Temperature ◽  
Cascade Process ◽  
Successful Development ◽  
Defect Production ◽  
Displacement Cascades ◽  
Frenkel Defects ◽  
Atom Energy

AbstractRecent research using molecular dynamics to simulate radiation damage due to displacement cascades in metals is reviewed. It includes results dealing with the effect on defect formation of primary knock-on atom energy and irradiation temperature. Clear dependencies and trends have emerged in these areas. In terms of the development of models to describe the evolution of radiation damage microstructure, the important parameters are not only the total number of Frenkel defects but also the distribution of their population in clusters and the form and mobility of these clusters. Results on these aspects are reviewed and it is shown that computer simulation is providing detailed information that paves the way for successful development of models of the evolution of damage beyond the stage of the cascade process.

The Effect of Temperature on Defect Production by Displacement Cascades in alpha;-IRON

1996 ◽  
Vol 439 ◽  
Author(s):  
F. Gao ◽  
D. J. Bacon ◽  
P. E. J. Flewitt ◽  
T. A. Lewis
Keyword(s):  
Molecular Dynamics ◽  
Md Simulations ◽  
Irradiation Temperature ◽  
Effect Of Temperature ◽  
Cascade Process ◽  
Thermal Spike ◽  
Defect Production ◽  
Alpha Iron ◽  
Displacement Cascades ◽  
The Continuum

AbstractMolecular dynamics (MD) simulations have been used to study the number and arrangement of defects produced by displacement cascades as functions of irradiation temperature, Tirr, in α-iron. The continuum treatment of heat conduction was used to adjust the temperature of the MD boundary atoms throughout the cascade process. This new hybrid model has been applied to cascades of either 2 or 5 keV at 100K, 400K, 600K and 900K. The number of Frenkel pairs decreases by about 20–30% as Tir increases from 100K to 900K, due to the increase in the lifetime of the thermal-spike phase. The same effect also brings about an increase in the proportion of selfinterstitial atoms that form clusters.

Computer Simulation of Displacement Cascades in α-Zirconium

1996 ◽  
Vol 439 ◽  
Author(s):  
F. Gao ◽  
S. J. Wooding ◽  
D. J. Bacon ◽  
A. F. Calder ◽  
L. M. Howe
Keyword(s):  
Computer Simulation ◽  
Production Efficiency ◽  
Md Simulations ◽  
Vacancy Cluster ◽  
Prism Plane ◽  
Defect Production ◽  
Displacement Cascades ◽  
Bcc Metals

AbstractThe damage produced in α-zirconium at 100 K by displacement cascades with energy up to 20 keV has been investigated by MD simulations. In agreement with modelling of fcc and bcc metals, the defect production efficiency in zirconium is well below the NRT estimate. The number and size of clusters, both vacancy and interstitial, are increased by increasing PKA energy, and clusters containing up to 25 interstitials and 30 vacancies were formed by 20 keV cascades. Most interstitial clusters have dislocation character with perfect Burgers vectors of the form 1/3<1120>, but a few metastable clusters are formed and are persistent over the timescale of MD simulations. Collapse of the 30-vacancy cluster to a faulted loop on the prism plane was found to occur over a period of more than 100 ps

Molecular Dynamics Simulations to Evaluate the Effect of the Difference in Material Properties on Irradiation-Induced Defect Formation Under Applied Strain

2012 ◽  
Author(s):  
Toshihiro Horinouchi ◽  
Satoshi Miyashiro ◽  
Mitsuhiro Itakura ◽  
Taira Okita
Keyword(s):  
Molecular Dynamics ◽  
Defect Formation ◽  
Stacking Fault ◽  
Applied Strain ◽  
Stacking Fault Energy ◽  
Cascade Process ◽  
Defect Production ◽  
Fcc Metals ◽  
The Difference ◽  
Dynamics Simulations

The influence of applied strain on the defect production rate during a cascade process was evaluated for several FCC metals with different Stacking Fault Energy by the method of molecular dynamics. It was found that applied strain increases the number of surviving defects, which is caused by the enhanced formation of larger clusters. It was also found that the number of defects is almost independent of Stacking Fault Energy even under applied strain.

INFLUENCE OF THE LOCATION OF THE BASEBOARD JUMPER FOR FIRMWARE FOR DEFECT FORMATION IN CHAIN DRIVE SPROCKET FORGING

2020 ◽  
Author(s):  
I.A. Tserna ◽  
◽  
V.V. Bukhov ◽  
Keyword(s):  
Computer Simulation ◽  
Defect Formation ◽  
Chain Drive ◽  
Combine Harvester

The paper presents the results of computer simulation of the process of de-formationforged chain wheels, combine harvester; the influence of the placement of the jumper outline for firmware on the processes of defect formation in forging.

scholarly journals Analysis of Radiation Damage in Light Water Reactors: Comparison of Cluster Analysis Methods for the Analysis of Atom Probe Data

2017 ◽  
Vol 23 (2) ◽  
pp. 366-375 ◽  
Author(s):  
Jonathan M. Hyde ◽  
Gérald DaCosta ◽  
Constantinos Hatzoglou ◽  
Hannah Weekes ◽  
Bertrand Radiguet ◽  
...  
Keyword(s):  
Cluster Analysis ◽  
Radiation Damage ◽  
Defect Formation ◽  
Chemical Species ◽  
Atom Probe ◽  
Three Dimensions ◽  
Multiple Sources ◽  
Damage Models ◽  
Combining Data ◽  
Water Reactors

AbstractIrradiation of reactor pressure vessel (RPV) steels causes the formation of nanoscale microstructural features (termed radiation damage), which affect the mechanical properties of the vessel. A key tool for characterizing these nanoscale features is atom probe tomography (APT), due to its high spatial resolution and the ability to identify different chemical species in three dimensions. Microstructural observations using APT can underpin development of a mechanistic understanding of defect formation. However, with atom probe analyses there are currently multiple methods for analyzing the data. This can result in inconsistencies between results obtained from different researchers and unnecessary scatter when combining data from multiple sources. This makes interpretation of results more complex and calibration of radiation damage models challenging. In this work simulations of a range of different microstructures are used to directly compare different cluster analysis algorithms and identify their strengths and weaknesses.

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