Insight of displacement cascade evolution in gallium arsenide through molecular dynamics simulations

He, C W; He, Huan; Liao, Wenlong; Bai, Yanhua; Li, Yonghong

doi:10.1016/j.commatsci.2021.111016

Cited by 7 publications

(10 citation statements)

References 35 publications

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“…In this case, we obtain defects must be predominantly of interstitial-type, as RBS/C is highly sensitive to them, and since interstitial defects in GaAs do induce a positive strain because they exhibit a positive relaxation volume [39]. Besides, atomistic simulations pointed out that both vacancy and interstitial clusters are formed in collision cascades, but interstitial clusters are bigger and more numerous [40][41]. Secondly, amorphous-like clusters form, surrounded by defective but still crystalline regions that eventually transform into an amorphous state (hence the detected strain that increases up to full amorphization).…”

Section: Iv1 Modelling Of the Damage Build-upmentioning

confidence: 84%

Effect of energy deposition on the disordering kinetics in dual-ion beam irradiated single-crystalline GaAs

Debelle

Gutierrez

Boulle

et al. 2022

Journal of Applied Physics

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The damage induced in GaAs crystals irradiated with dual-ion beam (low-energy I2+ and high-energy Fe9+), producing simultaneous nuclear ( Sn) and electronic ( Se) energy depositions, was investigated using several characterization techniques. Analysis of the damage buildup shows that Sn alone (single 900 keV ion beam) leads, in a two-step process, to full amorphization of the irradiated layer (at a fluence of 1.5 nm−2) and to the development of a high (2.2%) elastic strain. Conversely, only one step in the disordering process is observed upon dual-ion beam irradiation (i.e., 900 keV I2+ and 27 MeV Fe9+, Sn& Se); hence, amorphization is prevented and the elastic strain remains very weak (below 0.2%). These results provide a strong evidence that, in GaAs, the electronic energy deposition can induce an efficient dynamic annealing of the damage created in collision cascades formed during nuclear energy deposition.

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Section: Iv1 Modelling Of the Damage Build-upmentioning

confidence: 84%

Effect of energy deposition on the disordering kinetics in dual-ion beam irradiated single-crystalline GaAs

Debelle

Gutierrez

Boulle

et al. 2022

Journal of Applied Physics

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“…Fatigue loading was applied using a strain-controlled approach, 19,21 as depicted in Figure 1B. The simulation results were imported into OVITO 33 for analysis using the common neighbor analysis (CNA), 34 dislocation analysis (DXA), 35,36 Wigner-Seitz defect analysis (W-S), [37][38][39] polyhedral template matching (PTM), 40 and grain segmentation (GS) methods. 41 3 | RESULTS AND DISCUSSION…”

Section: Methods and Crack Modelsmentioning

confidence: 99%

“…The microanalysis of the crack model above reveals the presence of crystal defects, such as vacancies and prismatic dislocations, emerging within the structure under various loading conditions. To gain a deeper understanding of how these dislocations and vacancy structures are influenced by the loading conditions, dynamic statistics of the percentage of prismatic <a> dislocation density and vacancies are conducted using the DXA method 35,36 and W-S method, [37][38][39] respectively. As shown in Figure 8A1-A3, the number of vacancies under different loading conditions exhibits a continuous increase with cyclic strains.…”

Section: Microstructure Evolution Analysismentioning

confidence: 99%

Molecular dynamics simulation of effects of loading parameters on fatigue crack growth behavior in titanium single crystal

Liu,

Chang,

et al. 2024

Fatigue Fract Eng Mat Struct

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The fatigue crack growth behavior in single‐crystal titanium with a prismatic crack was simulated using molecular dynamics (MD) considering the effects of applied temperature, strain ratio, and strain rate. The results indicate that the material exhibits transient cyclic hardening behavior and dominant cyclic softening behavior. The peak tensile stress decreases with increasing temperature or decreasing strain rate. The deformation mechanism for crack growth involves prismatic dislocation emission and the formation of vacancy defects at different loading conditions. Deformation twinning occurs at the highest temperature, and a secondary crack emerges at the highest strain rate. The Mises stress concentration at the twin boundary and the coalescence between the initial and secondary cracks may accelerate crack propagation. The ΔJ shows good linear relationships with fatigue crack growth rate (FCGR), indicating that ΔJ possesses the potential to assess fatigue crack growth behavior at the atomic scale for ductile metallic materials.

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“…In recent years, the MD simulations of primary displacement damage in GaAs have focused on several influencing factors such as the energy and type of primary knock-on atoms (PKAs), ambient temperature, and electronic stopping power on the defect evolution of point defects and cluster defects. 2,6,7 Concurrently, the radiation fluence of energetic particles has a certain impact on the primary displacement damage of semiconductor materials. 5,8 In the literature, the defect evolution caused by radiation fluence has been investigated by employing overlapping cascades in MD simulations to correlate the radiation fluence with displacement damage.…”

Section: Article Pubsaiporg/aip/advmentioning

confidence: 99%

“…3,5 The defect evolution triggered by the displacement damage can last for tens of picoseconds within the material, while the subsequent longterm defect evolution resulting from thermally activated processes can endure from nanoseconds to years. 4,6 The primary displacement damage involves the intense energy dissipation of energetic particles in materials by collision cascades and determines the subsequent long-term defect evolution, which leads researchers to pay attention to the mechanism of primary displacement damage. 1,2,4…”

Section: Introductionmentioning

confidence: 99%

Simulation of proton-induced primary displacement damage in GaAs under different ambient temperatures

Xing,

Liu,

Song

et al. 2024

AIP Advances

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The performance of on-orbit GaAs-based solar cells is susceptible to the displacement damage effect. The proton-induced primary displacement damage in GaAs on a geosynchronous equatorial orbit (GEO) was simulated and analyzed by combining the Monte Carlo (MC) and molecular dynamics (MD) methods. The MC simulation provided the distribution of primary knock-on atoms (PKAs) in GaAs induced by GEO-related protons to the MD simulation. In MD simulations, the effects of radiation fluence and ambient temperature on the displacement damage were considered. The simulation results showed that GEO-related protons generated a significant number of PKAs within an energy range of below 10 keV in GaAs. The high-fluence radiation emulated by the binary PKA could generate more point defects and cluster defects in GaAs than the low-fluence radiation emulated by single PKAs. As compared to room temperature (300 K), both a low (100 K) and high (500 K) ambient temperature could deteriorate the displacement damage. In addition, a high ambient temperature of 500 K could induce widespread thermal spikes in GaAs as compared to 100 and 300 K. This work can provide useful insight into the proton-induced displacement damage in GaAs and the radiation hardening of GaAs-based photoelectric devices in space.

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Insight of displacement cascade evolution in gallium arsenide through molecular dynamics simulations

Cited by 7 publications

References 35 publications

Effect of energy deposition on the disordering kinetics in dual-ion beam irradiated single-crystalline GaAs

Effect of energy deposition on the disordering kinetics in dual-ion beam irradiated single-crystalline GaAs

Molecular dynamics simulation of effects of loading parameters on fatigue crack growth behavior in titanium single crystal

Simulation of proton-induced primary displacement damage in GaAs under different ambient temperatures

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