Orientation-dependent responses of tungsten single crystal under shock compression via molecular dynamics simulations

Liu, C.M.; Xu, Chao; Cheng, Yan; Chen, X.R.; Cai, Ling-Cang

doi:10.1016/j.commatsci.2015.08.051

Cited by 16 publications

(5 citation statements)

References 34 publications

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“…Finally, microexplosions and dislocationdriven plastic flow are not seen in the simulations. We note that homogeneous dislocation nucleation in bulk W requires shock pressures over 100 GPa [81]. For W nanowires, the elastic limit is 25.4 GPa, for a square cross section of 2.5 nm side [82].…”

Section: Resultsmentioning

confidence: 84%

Electronic heat transport versus atomic heating in irradiated short metallic nanowires

et al. 2019

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The two-temperature model (TTM) is commonly used to represent the energy exchange between atoms and electrons in materials under irradiation. In this work we use the TTM coupled to molecular dynamics (TTM-MD) to study swift heavy ion irradiation of Au and W finite nanowires. While no permanent structural modifications are observed in bulk, nanowires behave in a different way depending on thermal conductivity and the electronphonon coupling parameter. Au is a good heat conductor and it does not transfer energy from electrons to phonons too efficiently. Therefore, energy is quickly carried away from the track so that both electronic and lattice temperatures remain quite uniform across the sample at all times. W has a lower thermal conductivity and a larger electron-phonon coupling, thus supporting an inhomogeneous lattice temperature profile with temperatures well above melting lasting several picoseconds in the irradiated region. Both W and Au nanowires display radiation-induced surface roughening. However, in the case of W there is also sputtering and the formation of a hole in the central part of the wire, purely due to the energy transferred to the atoms by the electrons. The physical mechanisms underlying these findings are rationalized in terms of a combination of sputtering, vacancy formation, and melt flow phenomena. The role of the electron-phonon coupling parameter g is analyzed.

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Section: Resultsmentioning

confidence: 84%

Electronic heat transport versus atomic heating in irradiated short metallic nanowires

et al. 2019

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“…If the impact angle is measured from the normal to the target, then a cos(θ) law is observed [66,67]. The orientation-dependent response of single crystal tungsten under shock compression, studied via MDs simulations, has been reported by Liu et al [68].…”

Section: Dislocation Analysismentioning

confidence: 83%

Analysis of hypervelocity impacts: the tungsten case

Fraile¹,

Dwivedi²,

Bonny³

et al. 2022

Nucl. Fusion

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The atomistic mechanisms of damage initiation during high velocity (v up to 9 km/s, kinetic energies up to 200 keV) impacts of W projectiles on a W surface have been investigated using parallel molecular-dynamics simulations involving large samples (up to 40 million atoms). Various aspects of the impact at high velocities, where the projectile and part of the target materials undergo massive plastic deformation, breakup, melting, and vaporization, are analyzed. Different stages of the penetration process have been identified through a detailed examination of implantation, crater size and volume, sputtered atoms, and dislocations created by the impacts. The crater volume increases linearly with the kinetic energy for a given impactor; and the total dislocation length increases with the kinetic energy but depends itself on the size of the impactor. Furthermore, the total dislocation length is less dependent of the fine details of the interatomic potential. The results are rationalized based on the physical properties of bcc W.

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“…Figure 9 shows pressure (P zz ) and shear stress (σ shear ) curves for the WNW for the highest stopping value. [59]. Also, for W nanowires under tension, the elastic limit is greater than 25 GPa, for nanowires with square cross-section close to 2.5 nm×2.5 nm, and orientations along [001], [011] or [111] [60].…”

Section: Resultsmentioning

confidence: 99%

MeV irradiation of tungsten nanowires: structural modifications

Grossi

Kohanoff

Bringa

2020

Mater. Res. Express

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In this work we use the Two Temperature Model coupled to Molecular Dynamics (TTM-MD) to study swift heavy ion irradiation of W finite nanowires. Au projectiles are considered with energies ranging from 20 to 50 MeV, which correspond to electronic stopping values less than 20 keV nm −1 in the regime where electronic stopping is larger than nuclear stopping. Nanowires with diameters much smaller than the electron mean free path are considered for two different sizes with an aspect ratio ∼3.7 between length and diameter. Nanowires display radiation-induced surface roughening, sputtering yields and the formation of point defects and di-vacancies. For the smallest size, a hole stays opened in the central part of the wire for S e > 12.6 keV nm −1 . W nanofoams, considered as collections of connected nanowires like those simulated here, are expected to behave similarly under irradiation displaying radiation resistance for the electronic stopping range that has been considered. In fact, nanowires larger than tens of nm would be needed for defect accumulation and lack of radiation resistance.

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Orientation-dependent responses of tungsten single crystal under shock compression via molecular dynamics simulations

Cited by 16 publications

References 34 publications

Electronic heat transport versus atomic heating in irradiated short metallic nanowires

Electronic heat transport versus atomic heating in irradiated short metallic nanowires

Analysis of hypervelocity impacts: the tungsten case

MeV irradiation of tungsten nanowires: structural modifications

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