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Related Concept Videos

  1. Home
  3. Research Domains
  5. Physical Sciences
  7. Condensed Matter Physics
  9. Surface Properties Of Condensed Matter
  11. When Does A Nanoparticle Become A Cluster?
  1. Home
  3. Research Domains
  5. Physical Sciences
  7. Condensed Matter Physics
  9. Surface Properties Of Condensed Matter
  11. When Does A Nanoparticle Become A Cluster?

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When does a nanoparticle become a cluster?

Sankhadeep Bose1, Andrea Floris2, Mangaiyarkarasi Rajendiran3

  • 1School of Mechanical Engineering, Vellore Institute of Technology, Vellore 632014, Tamil Nadu, India.

The Journal of Chemical Physics
|October 22, 2025

View abstract on PubMed

Summary
This summary is machine-generated.

We developed physical criteria to distinguish nanoparticles from clusters based on atom number. Our findings reveal distinct scalable and non-scalable regimes, clarifying size-related terminology for finite aggregates.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Computational Physics

Background:

  • Distinguishing between nanoparticles and clusters is crucial for understanding material properties.
  • Existing definitions lack clear physical criteria, leading to ambiguity in terminology.
  • Finite aggregates exhibit unique behaviors influenced by size and surface effects.

Purpose of the Study:

  • To establish clear physical criteria for differentiating nanoparticles and clusters.
  • To investigate the behavior of finite Lennard-Jones spherical aggregates across different size regimes.
  • To provide a unified understanding of size-dependent properties in small material systems.

Main Methods:

  • Molecular dynamics simulations of finite Lennard-Jones spherical aggregates (N = 73 to 4235 atoms).
  • Analysis under both equilibrium and non-equilibrium (sublimation) conditions.
  • Introduction of energetic (local potential energy profiles) and structural (pair distance distribution) criteria.

    • Main Results:

    • Identification of two distinct size regimes: scalable (nanoparticles) and non-scalable (clusters).
    • Scalable regime shows linear property variations and homogeneous interiors.
    • Non-scalable regime exhibits abrupt changes, steep potential energy gradients, and surface atom dominance.
    • Non-equilibrium sublimation simulations reveal a size threshold correlating with the transition between regimes.

    Conclusions:

    • Three independent criteria (energetic, structural, non-equilibrium) consistently identify a universal size threshold.
    • This threshold separates nanoparticle and cluster behaviors, governed by local potential energy.
    • Findings emphasize treating clusters as finite systems dominated by surface atoms and interactions.