Keyphrases
(111) Facet
20%
Atomistic Calculations
20%
Atomistic Force Field
20%
AuCu
100%
AuCu Nanoalloy
20%
Central Site
20%
Chemical Ordering
100%
Computational Study
100%
Cu Atoms
20%
Density Functional Calculations
20%
DFT Calculations
20%
Fast Computation
20%
Geometric Structure
100%
Global Optimization
20%
Global Optimization Search
20%
Gold-copper
20%
Icosahedral Structure
20%
Icosahedron
20%
Many-body Potentials
20%
Moment Approximation
20%
Nanosize
20%
Ordered Phase
20%
Second Moment
20%
Stability Range
20%
Structure Ordering
100%
Surface Enhancement
40%
Surface Segregation
20%
Terraces
20%
Theory Use
20%
Tight-binding Model
20%
Viable Solutions
20%
Mathematics
Density Functional
100%
Discrete Fourier Transform
100%
Flat Surface
100%
Geometric Structure
100%
Good Agreement
100%
Many-Body Potential
100%
Subsurface
100%
Tight-Binding
100%
Chemistry
Density Functional Theory
100%
Many-Body Potential
50%
Phase Composition
100%
Purity
50%
stability
50%
Surface Segregation
50%
Tight Binding Model
50%
Physics
Density Functional Theory
100%
DFT Calculations
100%
Field Theory (Physics)
100%
Flat Surface
100%
Material Science
Density
50%
Phase Composition
100%
Surface (Surface Science)
50%