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Stress-Induced Structural Transformations in Au Nanocrystals.

Abhinav Parakh1, Sangryun Lee2, Mehrdad T Kiani1

  • 1Materials Science and Engineering, Stanford University, Stanford, California 94305, United States.

Nano Letters
|October 5, 2020
PubMed
Summary
This summary is machine-generated.

Under high pressure, 6 nm gold nanocrystals transform from multiply twinned to single crystalline structures via displacive motion. This structural change, observed using X-ray diffraction and TEM, highlights a new mechanism for nanocrystal transformation.

Keywords:
Asymmetric Mackay-like TransformationDiamond Anvil CellTransmission Electron Microscopy, Molecular Dynamics SimulationX-ray Diffraction

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Solid-State Physics

Background:

  • Nanocrystals exhibit diverse structures, including multiply twinned (e.g., icosahedral) and single crystalline (e.g., cuboctahedral) forms.
  • Structural transformations in nanocrystals are typically mediated by diffusion at high temperatures.
  • Experimental evidence for displacive motion driving nanocrystal structural changes is limited.

Purpose of the Study:

  • To investigate nanocrystal structural transformations driven by displacive motion under nonhydrostatic pressure.
  • To provide experimental evidence for displacive structural transformations in gold nanocrystals.
  • To elucidate the dynamics of structural recovery and the role of twin boundaries.

Main Methods:

  • Utilized a diamond anvil cell to apply nonhydrostatic pressure (7.7 GPa) to 6 nm gold (Au) nanocrystals.
  • Employed X-ray diffraction and transmission electron microscopy (TEM) to analyze structural changes.
  • Conducted molecular dynamics simulations to understand the stability of twin boundaries.

Main Results:

  • Observed a pressure-induced structural transformation from multiply twinned to single crystalline structures in 6 nm Au nanocrystals.
  • Recovered single crystalline nanocrystals upon pressure release, which rapidly reverted to multiply twinned states in toluene.
  • TEM imaging captured surface recrystallization and rapid twin boundary motion during structural recovery.
  • Molecular dynamics simulations revealed twin boundary instability due to interior-nucleated defects.

Conclusions:

  • Demonstrated that displacive motion can drive structural transformations in nanocrystals under nonhydrostatic pressure.
  • Highlighted the dynamic nature of nanocrystal structures, with rapid recovery mechanisms involving twin boundary motion.
  • Identified defect nucleation within nanocrystals as a key factor in twin boundary instability and structural evolution.