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Generalized Stacking Fault Energies of Diamond and Silicon under ⟨111⟩ Uniaxial Loading
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Lili HUANG1, Li PENG1, Shi CHEN1, Hongping ZHANG2, Mu LI1, *
Chinese Journal of High Pressure Physics | 2024, 38(3) : 030107-1 - 030107-10
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Chinese Journal of High Pressure Physics | 2024, 38(3): 030107-1-030107-10
• Topics on Multiscale Structure and Physical Properties of Materials under Dynamic Loading •
Generalized Stacking Fault Energies of Diamond and Silicon under ⟨111⟩ Uniaxial Loading
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Lili HUANG1, Li PENG1, Shi CHEN1, Hongping ZHANG2, Mu LI1, *
Affiliations
  • 1College of Engineering Physics, Center for Intense Laser Application Technology, Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology, Shenzhen Technology University, Shenzhen 518118, Guangdong, China
  • 2College of Big Data and Internet, Shenzhen Technology University, Shenzhen 518118, Guangdong, China
Published: 2024-06-05 doi: 10.11858/gywlxb.20240765
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The energy caused by atomic level shear in a crystal is called generalized fault energy (GSFE), This is an important material property for describing nanoscale plastic phenomena in crystalline materials, such as dislocation decomposition, nucleation, and twinning. During the shock loading process, the elastoplastic transition occurs after one-dimensional elastic strain, so the generalized stacking fault energy is of great significance in understanding the occurrence of plastic flow. Here, we calculate the generalized GSFE surface of glide (111) surface of silicon and diamond under uniaxial strain in [111] direction by using the first principles of density functional theory. Based on the translation symmetry of GSFE surface, we fit the GSFE surface expression obtained by Fourier series expansion and the generalized stacking fault energy curves for the $ [{\overline{1}10}] $ (111) and $ [ 11\overline{2}]$ (111) directions are given. With the increase of strain, the intrinsic fault energy (γI) and the unstable fault energy (γus) have obvious changes, and the ratio of the unstable stacking fault energy to the intrinsic stacking fault energy (γus/γI) decreases indicating that dislocations in crystals are not easily decomposed under uniaxial strain in the $ \left\langle{111}\right\rangle $ direction. This result explains the results of dynamic experiments of dislocation evolution at four generations of light sources that the speed and strength of fault signals loaded along $ \left\langle{111}\right\rangle $ direction are much lower than those loaded along $ \left\langle{110}\right\rangle $ direction and $ \left\langle{100}\right\rangle $ direction.

generalized stacking fault energy  /  first principle calculations  /  shock loading  /  dislocation
黄丽丽, 彭丽, 陈实, 张红平, 李牧. 〈111〉方向单轴应变下金刚石和硅的广义层错能. 高压物理学报, 2024 , 38 (3) : 030107-1 -030107-10 . DOI: 10.11858/gywlxb.20240765
Lili HUANG, Li PENG, Shi CHEN, Hongping ZHANG, Mu LI. Generalized Stacking Fault Energies of Diamond and Silicon under ⟨111⟩ Uniaxial Loading[J]. Chinese Journal of High Pressure Physics, 2024 , 38 (3) : 030107-1 -030107-10 . DOI: 10.11858/gywlxb.20240765
Year 2024 volume 38 Issue 3
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2
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Article Info
doi: 10.11858/gywlxb.20240765
  • Receive Date:2024-03-28
  • Online Date:2026-11-06
  • Published:2024-06-05
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  • Received:2024-03-28
  • Revised:2024-04-16
Affiliations
    1College of Engineering Physics, Center for Intense Laser Application Technology, Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology, Shenzhen Technology University, Shenzhen 518118, Guangdong, China
    2College of Big Data and Internet, Shenzhen Technology University, Shenzhen 518118, Guangdong, China
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表12种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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