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Growth Pattern of Large Morse Clusters with Medium-Range Potentials.

Liping Chen1,2, Tao Liang1, Linjun Wang3

  • 1Hangzhou Institute of Advanced Studies, Zhejiang Normal University, Hangzhou311231, China.

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Summary
This summary is machine-generated.

Researchers developed a fuzzy global optimization (FGO) method to study large Morse clusters. This method successfully identified new global minima and structural patterns in clusters previously too complex to analyze.

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Area of Science:

  • Computational Chemistry
  • Materials Science
  • Statistical Mechanics

Background:

  • Global optimization of large Morse clusters is challenging due to complex potential energy surfaces.
  • Previous studies were limited to smaller cluster sizes (N ≤ 240) for medium-range potentials (ρ = 6 and 10).

Purpose of the Study:

  • To systematically study large Morse clusters beyond the limitations of previous methods.
  • To identify new global minima and understand structural patterns in larger systems.

Main Methods:

  • Employed an unbiased fuzzy global optimization (FGO) method.
  • Initiated studies from completely random structures.
  • Successfully analyzed Morse clusters up to 700 atoms.

Main Results:

  • Efficiently reproduced previously reported global minima.
  • Identified new, lower-energy global minima for various N values with ρ = 6 and ρ = 10.
  • Observed detailed growth patterns and magic clusters.
  • Discovered central vacancies in specific large Morse clusters (N = 542, 543, 548, 922 with ρ = 6) for the first time.

Conclusions:

  • The fuzzy global optimization (FGO) method demonstrates high performance for large clusters with varying interatomic interaction ranges.
  • FGO shows significant potential for general cluster global structure optimization.