Molecular dynamics simulation of microcrack healing in copper

Li, S.; Gao, Ke; Qiao, Lei; Zhou, Fenguo; Chu, W.Y.

doi:10.1016/s0927-0256(00)00130-0

Cited by 18 publications

(16 citation statements)

References 16 publications

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“…In all cases, periodical boundary condition [26,36] was adopted in z direction. The initial velocity was the Maxwell-Boltzmann distribution corresponding to a given temperature.…”

Section: Boundary Conditionsmentioning

confidence: 99%

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Modelling of the evolution of crack of nanoscale in iron

Wei

Jiang

Han

2013

Computational Materials Science

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Metal owns the ability of self-healing to some extent, and the ability of the internal crack healing is most desirable for improving the reliability of metal. A molecular dynamics simulation has been further developed to investigate the evolution of a nanoscale crack in body centred cubic Fe crystal under the conditions of heating or compressive pressure. When system temperature drops, the evolution of the crack that was at elevated temperature has been studied for the first time. N-body potential according to the embedded atom method has been adopted. The original nanoscale crack is expressed by removing some atoms in the centre of the cell, and the minimum vertical distance between the atoms on the top and bottom crack surfaces has been defined as Dm for assessing the process of crack evolution. The results show that a crack healing process can be accelerated significantly with an increase of temperature. When the system temperature decreases, Dm of the crack that was in healing process does not change significantly but fluctuates in a narrow range. This means that the crack healing is the result of Fe atoms diffusing into the crack area but not the thermal stress incurred in the simulation cell at elevated temperature. The pre-compressive pressure under the condition of both biaxial and uniaxial loadings can help promote the crack healing significantly and results in more uniform distribution of defects after healing. AbstractMetals own the ability of self-healing to some extent, and the ability of the internal crack healing is most desirable for improving the reliability of metals. A molecular dynamics simulation has been further developed to investigate the evolution of a nano scale crack in body centred cubic Fe crystal under the conditions of heating or compressive pressure. When system temperature drops, the evolution of the crack that was at elevated temperature has been studied for the first time. N-body potential according to the embedded atom method has been adopted. The original nano scale crack is expressed by removing some atoms in the centre of the cell, and the minimum vertical distance between the atoms on the top and bottom crack surfaces has been defined as D m for assessing the process of crack evolution. The results show that a crack healing process can be accelerated significantly with an increase of temperature. When the system temperature decreases, D m of the crack that was in healing process does not change significantly but fluctuates in a narrow range.This means that the crack healing is the result of Fe atoms diffusing into the crack area but not the thermal stress incurred in the simulation cell at elevated temperature. The pre compressive pressure under the condition of both biaxial and uniaxial loadings can help promote the crack healing significantly and results in more uniform distribution of defects after healing.

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“…In all cases, periodical boundary condition [26,36] was adopted in z direction. The initial velocity was the Maxwell-Boltzmann distribution corresponding to a given temperature.…”

Section: Boundary Conditionsmentioning

confidence: 99%

“…MD simulation was conducted to study crack healing in Al [25] and Cu crystals [26], both of which are face centered cubic (FCC). Dislocation generation and motion occur during crack healing.…”

Section: Introductionmentioning

confidence: 99%

Modelling of the evolution of crack of nanoscale in iron

Wei

Jiang

Han

2013

Computational Materials Science

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“…8, an excellent process is found that the crack branching is healed in the propagation of crack. Early experimental studies have shown that the microcrack in metal materials could be healed through the control of temperature effect and several simulation results [32] in copper or aluminum also elucidate this particular process during heating or compressive stress.…”

Section: Instability Analysismentioning

confidence: 99%

Atomistic study of anisotropic effect on two-dimensional dynamic crack

Ren

Tang

2012

Front. Mater. Sci.

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We adopt molecular dynamics (MD) method to extensively study the dynamical process during the crack propagation along two crystallographic directions in the two-dimensional close-packed system. The dependence of crack initiation time on the loading rates is investigated in comparison with continuum analysis. By calculating the displacement and stress field, the results are in excellent agreement with the asymptotic continuum solution of low-speed propagating crack. Moreover, the crack-tip velocity is numerically attained and associated with the instability of crack surface morphology, which results from the strongly anisotropic behavior. Further analysis remarkably observes the crack-branching healing process in that the dislocation emission absorbs the concentrated strain energy of crack tip.

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“…The simulation results showed that a center penetrating microcrack in Cu or Al crystal could be healed under a compressive stress or by heating, and the role of compressive stress and heating in crack healing was additive [10,11]. During microcrack healing, dislocation emission and motion occurred and pre-existed dislocation could decrease the critical temperature or compressive stress necessary for microcrack healing [10,11]. In these simulations, however, a periodic boundary condition was used, and there was a quasi-three-dimensional simulation involving only 6 Â 10 3 atoms [10,11].…”

Section: Introductionmentioning

confidence: 99%

“…The molecular dynamics method was used to simulate microcrack healing during heating or/and under compressive stress [10,11]. The simulation results showed that a center penetrating microcrack in Cu or Al crystal could be healed under a compressive stress or by heating, and the role of compressive stress and heating in crack healing was additive [10,11].…”

Section: Introductionmentioning

confidence: 99%