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Advanced computational multiscalematerials modeling and simulation:
application to radiation damages for nuclear materials and other fields
Man Yao, Professor School of Materials Science & Engineering Dalian University of Technology Dalian, Liaoning PR Chinayaoman@dlut.edu.cn
Oct 17 2009Changzhou, China
 
Multiscale Materials Modeling (MMM)and simulation
•MMM has now taken on the meaning of theoryand simulation of materials properties andbehavior across length and time scalesfrom theatomistic to the macroscopic.•MMM– a “virtual instrument”, the output dependson the model and the input.•MMM -- conductingcomputational experiment over long length and time scalethat so far nosingle real instrument can do.
 
Radiation effect - a typicalmultiscale length and time scale issue
 
Radiation: neutron, electron, fusion and fission products, ions…
 
Atomic displacement cascade and electronexcitationPrimary damage: PKA, Point defects…Defect cluster formation and evolutionEvolution of microstructure and defectsIrradiation environment: T,stress, …Material Performance
Radiation sources—primary recoil atoms—collisioncascade—sources for defects and defect clusters
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