Ab initio molecular dynamics investigation of point defects in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:mi>γ</mml:mi></mml:math>-U
Benjamin Beeler, David Andersson, Chao Jiang, Yongfeng Zhang
Topics & Concepts
Molecular dynamicsVacancy defectPhase (matter)Ab initioThermodynamicsDensity functional theoryMaterials scienceDiffusionChemistryPhysicsComputational chemistryCrystallographyQuantum mechanicsNuclear Materials and PropertiesNuclear reactor physics and engineeringRare-earth and actinide compounds