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Microscopic Mechanisms of Plastic Deformation in High-Entropy Carbide (Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)C under Quasi-Isentropic and Ramp Compression
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Lanxi FENG, Chuanying LI, Wanghui LI, Xiaoqing ZHANG, Xiaohu YAO
Chinese Journal of High Pressure Physics | 2026, 40(8) : 080103-1 - 080103-26
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Chinese Journal of High Pressure Physics | 2026, 40(8): 080103-1-080103-26
• Dynamic Damage and Failure of Metals and Alloys •
Microscopic Mechanisms of Plastic Deformation in High-Entropy Carbide (Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)C under Quasi-Isentropic and Ramp Compression
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Lanxi FENG, Chuanying LI, Wanghui LI, Xiaoqing ZHANG, Xiaohu YAO
Affiliations
  • School of Civil Engineering and Transportation, South China University of Technology, Guangzhou 510641, Guangdong, China
Published: 2026-08-05 doi: 10.11858/gywlxb.20261008
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High-entropy carbides (HECs), which are characterized by pronounced chemical disorder and lattice distortion, exhibit exceptional strength-toughness synergy and are promising candidates for impact protection and high-temperature structural applications. However, their microstructural evolution and stress response under extreme conditions, such as high stress and strain rates, remains poorly understood. In this work, a high-accuracy machine-learning interatomic potential is employed to investigate the representative multi-principal carbide (Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)C (HEC) through large-scale molecular dynamics (MD) simulations. To elucidate how multiple “high-entropy” effects govern atomic-scale plasticity in HECs, large-scale MD simulations are carried out to explore their response under quasi-isentropic compression and ramp-wave loading along three principal crystallographic orientations: [001], $ [01\overline{1}] $, and [111]. The results demonstrate that the high-entropy effects profoundly reshape the initiation of plasticity, the competition among slip systems, and the localized deformation modes in HEC. Local stress fluctuations and lattice distortions enhance transient Bain-type stacking rearrangements within the sublattice and promote the synergistic activation of multiple slip systems. This leads to a transformation of shear band formation from isolated nucleation to a network-like propagation. Complementary first-principles calculations reveal that the carbon vacancy formation energy in high-entropy ceramics is significantly reduced compared to their single-component carbides. This reduction of vacancy formation energy facilitates preferential displacement of carbon atoms and their participation in shear band nucleation during compression. Furthermore, the comparison between different loading paths highlights the complexity of the high-entropy effects’ response. The quasi-isentropic loading path helps to unveil the intrinsic deformation mechanisms governed by the high-entropy effect itself, whereas the stress gradients inherent in ramp-wave loading couple with the high-entropy effect, leading to a premature triggering and intensification of plastic localization.

high-entropy carbides  /  high-entropy effect  /  quasi-isentropic compression  /  ramp compression  /  anisotropy  /  slip  /  carbon vacancy
奉兰西, 李传颖, 李旺辉, 张晓晴, 姚小虎. 高熵碳化物(Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)C在准等熵与斜波加载下的塑性变形微观机制. 高压物理学报, 2026 , 40 (8) : 080103-1 -080103-26 . DOI: 10.11858/gywlxb.20261008
Lanxi FENG, Chuanying LI, Wanghui LI, Xiaoqing ZHANG, Xiaohu YAO. Microscopic Mechanisms of Plastic Deformation in High-Entropy Carbide (Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)C under Quasi-Isentropic and Ramp Compression[J]. Chinese Journal of High Pressure Physics, 2026 , 40 (8) : 080103-1 -080103-26 . DOI: 10.11858/gywlxb.20261008
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Year 2026 volume 40 Issue 8
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Article Info
doi: 10.11858/gywlxb.20261008
  • Receive Date：2026-01-09
  • Online Date：2026-11-05
  • Published：2026-08-05
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  • Received：2026-01-09
  • Revised：2026-03-08
  • Accepted：2026-07-07
Affiliations
    School of Civil Engineering and Transportation, South China University of Technology, Guangzhou 510641, Guangdong, China
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表12种不同金属材料的力学参数
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Family		 属数
Number of
genus		 种数
Number of
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Percentage of
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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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