scholarly journals Structural dynamics of Schottky and Frenkel defects in ThO2: a density-functional theory study

2022 ◽  
Author(s):  
Samuel Moxon ◽  
Jonathan Skelton ◽  
Joshua Simon Tse ◽  
Joseph Flitcroft ◽  
Atsushi Togo ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Structural Dynamics ◽  
Density Functional ◽  
Fuel Cycle ◽  
Density Functional Theory Study ◽  
Nuclear Fuels ◽  
Functional Theory ◽  
Thorium Dioxide ◽  
Promising Alternative ◽  
Frenkel Defects

Thorium dioxide (ThO2) is a promising alternative to mixed-oxide nuclear fuels due to its longer fuel cycle and resistance to proliferation. Understanding the thermal properties, in particular the thermal conductivity,...

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