Keyphrases
Germanium
100%
GeO2
100%
ReaxFF Reactive Force Field
100%
Interstitial Oxygen
100%
ReaxFF
62%
Density Functional Theory
37%
Training Set
37%
O Atom
37%
Equation of State
25%
Condensed Phase
25%
Force Field Parameters
25%
Diamond
25%
O2 Diffusion
25%
Heat of Formation
25%
Ge Substrate
25%
Tersoff Potential
25%
Interstitial Site
25%
Temperature Effect
12%
Parameter Dependence
12%
Transition State
12%
Heat Treatment
12%
Temperature Range
12%
Double Bond
12%
Molecular Dynamics Simulation
12%
Quantum Mechanics
12%
Relative Stability
12%
Oxidation Time
12%
Single Bond
12%
Formation Energy
12%
Diffusion Barrier
12%
Minimum Energy
12%
Extended Training
12%
ReaxFF Potential
12%
Interface Diffusion
12%
Migration Routes
12%
Quantum Mechanics Calculations
12%
ReaxFF Force Field
12%
Bond Dissociation Energy
12%
Energy Migration
12%
Asymmetric Transition
12%
H Interstitial
12%
Tersoff
12%
Engineering
Diamond
100%
Interstitial Oxygen
100%
Interstitial Site
100%
Ge Interface
100%
Ge Substrate
100%
Equations of State
100%
Heat Treatment
50%
Mols
50%
Temperature Range
50%
Double Bond
50%
Temperature Dependence
50%
Single Bond
50%
Formation Energy
50%
Diffusion Barrier
50%
Relative Stability
50%
Computer Simulation
50%
Chemistry
Density Functional Theory
100%
Germanium
100%
Enthalpy of Formation
66%
Condensed Phase
66%
Volume
66%
Equations of State
66%
Transition State
33%
Dissociation Energy
33%
Diffusion Barrier
33%
Crystal Phase Property
33%
Double Bond
33%
Single Bond
33%
formation
33%
stability
33%
Heat Treatment
33%
Molecular dynamics simulation
33%
Material Science
Density
100%
Germanium
100%
Diamond
66%
Oxidation Reaction
33%
Heat Treatment
33%