4.6 Article

Mechanism transition and strong temperature dependence of dislocation nucleation from grain boundaries: An accelerated molecular dynamics study

期刊

PHYSICAL REVIEW B
卷 94, 期 10, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.94.104110

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资金

  1. Challenging Exploratory Research [25630013]
  2. Elements Strategy Initiative for Structural Materials (ESISM)
  3. NSFC [11402269, 11672299]
  4. [22102003]
  5. [23246025]
  6. Grants-in-Aid for Scientific Research [23246025] Funding Source: KAKEN

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Accelerated molecular dynamics reveals a mechanism transition and strong temperature dependence of dislocation nucleation from grain boundaries (GBs) in Cu. At stress levels up to similar to 90% of the ideal dislocationnucleation stress, atomic shuffling at the E structural unit in a GB acts as a precursor to dislocation nucleation, and eventually a single dislocation is nucleated. At very high stress levels near the ideal dislocation-nucleation stress, a multiple dislocation is collectively nucleated. In these processes, the activation free energy and activation volume depend strongly on temperature. The strain-rate dependence of the critical nucleation stress is studied and the result shows that the mechanism transition from the shuffling-assisted dislocation-nucleation mechanism to the collective dislocation-nucleationmechanism occurs during the strain rate increasing from 10(-4) s(-1) to 10(10) s(-1).

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