TY  -  
T1  - Atomistic-object kinetic Monte Carlo simulations of irradiation damage in tungsten 
SN  -  /  
UR  - http://hdl.handle.net/10138/307861 
T3  -  
A1  - Mason, D. R.; Sand, A. E.; Dudarev, S. L. 
A2  -  
PB  -  
Y1  - 2019 
LA  - eng 
AB  - We describe the development of a new object kinetic Monte Carlo (kMC) code where the elementary defect objects are off-lattice atomistic configurations. Atomic-level transitions are used to transform and translate objects, to split objects and to merge them together. This gradually constructs a database of atomic configurations-a set of relevant defect objects and their possible events generated on-the-fly. Elastic interactions are handled within objects with empirical potentials at short distan... 
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KW  - radiation damage; lattice defects; microstructural evolution; kinetic Monte Carlo; MOLECULAR-DYNAMICS; RADIATION-DAMAGE; CASCADE DAMAGE; DISLOCATION LOOPS; INTERSTITIAL ATOM; EVOLUTION; CLUSTERS; DIFFUSION; DEFECTS; VACANCY; 114 Physical sciences 
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ER  -