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arxiv: 2606.26019 · v1 · pith:ZQLQC4VWnew · submitted 2026-06-24 · ❄️ cond-mat.mtrl-sci

Primary damage and mechanical degradation of WTaCrV refractory high-entropy alloy: effects of solid-solution and chemical ordering

Yihan Wu , Pengfei Yu , Yaohong Suo , Lei Zhang This is my paper

Pith reviewed 2026-06-25 19:13 UTC · model grok-4.3

classification ❄️ cond-mat.mtrl-sci
keywords refractory high-entropy alloyWTaCrVradiation damagechemical orderingsolid solutionmechanical degradationcollision cascades
0
0 comments X

The pith

In WTaCrV refractory high-entropy alloy, solid-solution and local chemical ordering suppress radiation-induced mechanical degradation despite higher primary defect counts.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The study compares average-atom, random solid-solution, and local chemical order models of WTaCrV using new interatomic potentials to assess radiation damage. Collision cascades produce more Frenkel pairs in the RSS and LCO setups than in the AA model, yet the former show greater resistance to loss of strength and flow stress after irradiation. This resistance stems from inherent lattice distortion among alloy elements that outweighs disruptions from point defects, along with confined plastic flow from twin-defect interactions. The results matter for identifying which nanoscale chemical arrangements best suit materials in nuclear reactors.

Core claim

Collision cascade simulations show that the number of Frenkel pairs follows NRSS > NLCO > NAA at the same radiation dose. Despite more primary defects, the RSS and LCO effects suppress radiation-induced mechanical degradation, with irradiation severely degrading the AA model but having limited impact on the strength and flow stress of the RSS and LCO models. This is driven by lattice distortion from element interactions outweighing point defect effects, and complex twin-point defect interactions causing confined plastic flow.

What carries the argument

Comparison between average-atom (AA), random solid-solution (RSS), and local chemical order (LCO) configurations in atomistic simulations of collision cascades and mechanical response.

If this is right

  • More Frenkel pairs are generated in RSS and LCO than in AA configurations at the same radiation dose.
  • Irradiation severely degrades the homogenized AA model in strength and flow stress.
  • RSS and LCO models experience limited impact on strength and flow stress from irradiation.
  • Inherent lattice distortion from element interactions and twin-point defect interactions elevate flow stress in RSS and LCO models.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • Similar chemical ordering strategies might enhance radiation tolerance in other high-entropy alloys for nuclear use.
  • The modeling approach of contrasting AA, RSS, and LCO could guide experimental synthesis choices for extreme environments.
  • Further tests at higher irradiation doses could reveal whether the resistance in RSS and LCO persists or saturates.

Load-bearing premise

The newly developed interatomic potentials accurately represent both the radiation cascade dynamics and the mechanical response in the WTaCrV alloy.

What would settle it

Experimental measurement showing that irradiated WTaCrV with random solid solution or local chemical order undergoes mechanical degradation comparable to or worse than a homogenized average-atom equivalent would falsify the suppression claim.

read the original abstract

As advanced nuclear reactors demand novel irradiation-tolerant materials, this study investigates the radiation damage and mechanical degradation of the promising WTaCrV refractory high-entropy alloy (RHEA). To isolate complex nanoscale chemical effects, we propose an atomistic modeling strategy comparing Average-Atom (AA), random solid-solution (RSS), and local chemical order (LCO) configurations using newly developed interatomic potentials. Collision cascades simulations reveal that the number of Frenkel pairs follow NRSS > NLCO > NAA at the same radiation dose. While the RSS effect accelerates defect generation due to rugged energy landscapes, LCO enhances lattice cohesion to mitigate radiation damage. Despite more primary defects in the RSS and LCO configurations compared with the AA configurations, the RSS and LCO effects can suppress radiation-induced mechanical degradation. Irradiation severely degrade the homogenized AA model but exert a limited impact on the strength and flow stress of the RSS and LCO models. This exceptional resistance is driven by inherent lattice distortion resulting from interactions among different alloy elements, which outweighs point defect induced lattice disruptions. Moreover, the complex interactions between deformation twins and point defects cause confined plastic flow, elevating flow stress in the RSS and LCO models. The findings provide atomistic guidance for performance assessment of next-generation structural materials for extreme nuclear environments.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 1 minor

Summary. The manuscript investigates radiation damage and post-irradiation mechanical response in the WTaCrV refractory high-entropy alloy by comparing three chemical configurations (average-atom AA, random solid-solution RSS, and local chemical order LCO) via molecular dynamics collision-cascade and tensile simulations performed with newly developed interatomic potentials. It reports that the number of Frenkel pairs follows NRSS > NLCO > NAA at fixed dose, yet the RSS and LCO configurations exhibit suppressed mechanical degradation relative to AA because lattice distortion and twin–defect interactions outweigh point-defect effects.

Significance. If the interatomic potentials are shown to be reliable, the work supplies a useful atomistic decomposition of how chemical complexity modulates primary damage production versus mechanical retention in RHEAs, which is relevant for nuclear-material design. The configuration-comparison strategy itself is a clear methodological strength.

major comments (2)
  1. [Abstract] Abstract (and presumed Methods section): the central quantitative claims—Frenkel-pair ordering NRSS > NLCO > NAA, mechanical suppression in RSS/LCO, and the mechanistic attribution to lattice distortion and twin–defect interactions—rest entirely on results obtained with the newly developed potentials. No fitting database, validation metrics against DFT or experiment for cascade dynamics, defect migration barriers, or post-irradiation flow stress are supplied, rendering all reported differences potentially artifactual.
  2. [Abstract] Abstract: statements such as 'the number of Frenkel pairs follow NRSS > NLCO > NAA' and 'Irradiation severely degrade the homogenized AA model but exert a limited impact on the strength and flow stress of the RSS and LCO models' are presented without any numerical values, error bars, PKA energies, or simulation parameters, so the reader cannot assess the magnitude or statistical significance of the reported trends.
minor comments (1)
  1. [Abstract] Abstract contains subject-verb agreement errors ('Irradiation severely degrade', 'exert a limited impact') that should be corrected for clarity.

Simulated Author's Rebuttal

2 responses · 0 unresolved

We thank the referee for the careful reading and constructive feedback. The comments highlight important issues of transparency regarding the interatomic potentials and the level of detail in the abstract. We address each point below and will revise the manuscript accordingly.

read point-by-point responses

  1. Referee: [Abstract] Abstract (and presumed Methods section): the central quantitative claims—Frenkel-pair ordering NRSS > NLCO > NAA, mechanical suppression in RSS/LCO, and the mechanistic attribution to lattice distortion and twin–defect interactions—rest entirely on results obtained with the newly developed potentials. No fitting database, validation metrics against DFT or experiment for cascade dynamics, defect migration barriers, or post-irradiation flow stress are supplied, rendering all reported differences potentially artifactual.

    Authors: We agree that the abstract does not reference the potential development details and that the manuscript as submitted does not supply a comprehensive validation table for cascade-specific quantities. The full text describes the potential fitting procedure and basic property comparisons to DFT, but dedicated metrics for high-energy cascade dynamics and post-irradiation flow stress are indeed limited. In revision we will add an explicit Methods subsection with the fitting database summary, available DFT benchmarks for defect energies, and a statement on the scope of cascade validation performed. The comparative design (identical potential across AA/RSS/LCO) still isolates chemical-configuration effects, but we accept that absolute reliability claims require the additional documentation. revision: yes

  2. Referee: [Abstract] Abstract: statements such as 'the number of Frenkel pairs follow NRSS > NLCO > NAA' and 'Irradiation severely degrade the homogenized AA model but exert a limited impact on the strength and flow stress of the RSS and LCO models' are presented without any numerical values, error bars, PKA energies, or simulation parameters, so the reader cannot assess the magnitude or statistical significance of the reported trends.

    Authors: The abstract is intentionally concise and therefore omits specific numbers, uncertainties, and run parameters. We will revise the abstract to include representative quantitative values (e.g., average Frenkel-pair counts at 10 keV, percentage changes in yield and flow stress, and the number of independent runs), together with a brief statement that results are averaged with standard deviations indicated in the main figures. This change will allow readers to judge the scale and robustness of the trends without altering the overall narrative. revision: yes

Circularity Check

0 steps flagged

No circularity: direct MD simulation outputs with no derivations or fitted predictions

full rationale

The paper reports collision-cascade and tensile MD results for AA/RSS/LCO models of WTaCrV using newly developed potentials. All quantitative claims (Frenkel-pair counts, flow-stress retention, twin-defect interactions) are stated as direct simulation outcomes. No equations, parameter-fitting steps, or predictions that reduce to inputs by construction appear in the text. No self-citation chains or uniqueness theorems are invoked to justify the central claims. The work is therefore self-contained against external benchmarks and receives the default non-circularity finding.

Axiom & Free-Parameter Ledger

0 free parameters · 0 axioms · 0 invented entities

No information available from abstract on free parameters, axioms, or invented entities.

pith-pipeline@v0.9.1-grok · 5777 in / 1048 out tokens · 38836 ms · 2026-06-25T19:13:05.577175+00:00 · methodology

discussion (0)

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Reference graph

Works this paper leans on

73 extracted references

  1. [1]

    Introduction As the global demand for sustainable and low -carbon energy intensifies, advanced nuclear reactor systems are being pushed toward unprecedented operational extremes, including higher temperatures and more intense neutron irradiation environments [1, 2]. Traditional nuclear structural materials are rapidly approaching their performance limits ...

  2. [2]

    However, both RSS and LCO take effect within nanometer scale [11, 13], thereby challenging to be experimentally measured

    Computational details 2.1 Interatomic potential development As pointed out in previous studies, RSS and LCO effects can cause nanostructural distortion and strain energy accumulation in the RHEA , which further modulate the energy barrier s of materials behaviors such as diffusion, plastic flow or defects nucleation [4, 10, 12, 19]. However, both RSS and ...

  3. [3]

    An adaptive timestep (from 10-4 fs to 1.0 fs) is utilized; the timestep is adjusted so that each atom did not move more than 0.05 Å per step

    For each configuration under a specific PKA energy, 15 independent simulations are conducted to represent the statistical fluctuation. An adaptive timestep (from 10-4 fs to 1.0 fs) is utilized; the timestep is adjusted so that each atom did not move more than 0.05 Å per step. Table 1 The PKA energies considered in this study and the associated relaxation ...

  4. [4]

    Besides, the nanoscale chemical ordering is revealed by hybrid MC/MD simulations, which is the prerequisites for investigating LCO effect

    Results 3.1 Basic properties and local chemical order (LCO) In this section, some basic properties of the WTaCrV RHEA are computed using the developed interatomic potential s and compared with DFT data , in order to demonstrate their reliability. Besides, the nanoscale chemical ordering is revealed by hybrid MC/MD simulations, which is the prerequisites f...

  5. [5]

    The main conclusions are as follows: 28

    Conclusions This study investigates the effects of RSS and LCO on the primary radiation damage and resulting mechanical degradation of equimolar WTaCrV RHEA via atomistic simulations. The main conclusions are as follows: 28

  6. [6]

    An atomistic modeling strategy is proposed to isolate and identify the individual roles of solid-solution randomness and short -range chemical ordering on the radiation and mechanical responses of chemically complex alloys

  7. [7]

    The Alloy and AA interatomic potentials for the WTaCrV RHEA are developed based on DFT reference data. The developed potential s not only accurately reproduce the energetic, structural, and mechanical properties, but also retain excellent structural and thermodynamic stability in dynamic simulations. The accuracy and stability enable its promising applica...

  8. [8]

    The number of radiation defects follows the sequence of NRSS > NLCO > NAA

    The primary radiation damage exhibits a strong dependence on chemical environments at nanoscale. The number of radiation defects follows the sequence of NRSS > NLCO > NAA. Interactions among different alloy elements in the RSS model cause rugged energy landscape that accelerates defect production . In contrast, the LCO effect enhances lattice cohesion and...

  9. [9]

    In spite of weaker damage resistance of the RSS and LCO configurations under radiation, the RSS and LCO effects are found to suppress mechanical degradation. Uniaxial tensile simulations reveal that collision cascades apparently degrade the mechanical properties of the AA model, but exert a negligible impact on the strength and flow stress of both RSS and...

  10. [10]

    C. Xu, P. Li, X. Tian, W. Jiang, Q. Wang, H. Fan , Irradiation-induced grain boundary strengthening/embrittlement in bcc refractory high entropy alloy TiZrHfNbTa. Journal of Nuclear Materials,

  11. [11]

    Deluigi, R.C

    O.R. Deluigi, R.C. Pasianot, F.J. Valencia, A. Caro, D. Farkas, E.M. Bringa , Simulations of primary damage in a High Entropy Alloy: Probing enhanced radiation resistance. Acta Materialia, 2021. 213: p. 116951

    2021

  12. [12]

    Senkov, G.B

    O.N. Senkov, G.B. Wilks, D.B. Miracle, C.P. Chuang, P.K. Liaw , Refractory high -entropy alloys. Intermetallics, 2010. 18(9): p. 1758-1765

    2010

  13. [13]

    Y. Wu, G. Yan, P. Yu, Y. Suo, W. Yu, S. Shen, Size-dependent tensile behavior of nanocrystalline HfNbTaTiZr high-entropy alloy: Roles of solid-solution and local chemical order. International Journal of Plasticity, 2026. 198: p. 104626

    2026

  14. [14]

    Y. Chen, X. Liao, R. Qiu, L. Liu, W. Hu, H. Deng , Primary radiation damage in tungsten -based high- entropy alloy: Interatomic potential and collision cascade simulations. Journal of Nuclear Materials, 2023. 585: p. 154646

    2023

  15. [15]

    Sobieraj, J.S

    D. Sobieraj, J.S. Wróbel, T. Rygier, K.J. Kurzydłowski, O. El Atwani, A. Devaraj, E. Martinez Saez, D. Nguyen-Manh, Chemical short-range order in derivative Cr–Ta–Ti–V–W high entropy alloys from the first- principles thermodynamic study. Physical Chemistry Chemical Physics, 2020. 22(41): p. 23929-23951

    2020

  16. [16]

    El-Atwani, N

    O. El-Atwani, N. Li, M. Li, A. Devaraj, J.K.S. Baldwin, M.M. Schneider, D. Sobieraj, J.S. Wróbel, D. Nguyen-Manh, S.A. Maloy, E. Martinez, Outstanding radiation resistance of tungsten-based high-entropy alloys. Science Advances, 2019. 5(3): p. eaav2002

    2019

  17. [17]

    Byggmästar, D

    J. Byggmästar, D. Sobieraj, J.S. Wróbel, D.K. Schreiber, O. El-Atwani, E. Martinez, D. Nguyen-Manh, Segregation, ordering, and precipitation in WTaV-based concentrated refractory alloys. Acta Materialia, 2025. 296: p. 121276

    2025

  18. [18]

    S. Yin, J. Ding, M. Asta, R.O. Ritchie, Ab initio modeling of the energy landscape for screw dislocations in body-centered cubic high-entropy alloys. npj Computational Materials, 2020. 6(1): p. 110

    2020

  19. [19]

    Fantin, G.O

    A. Fantin, G.O. Lepore, A.M. Manzoni, S. Kasatikov, T. Scherb, T. Huthwelker, F. d'Acapito, G. Schumacher, Short-range chemical order and local lattice distortion in a compositionally complex alloy. Acta Materialia, 2020. 193: p. 329-337

    2020

  20. [20]

    E. Ma, C. Liu , Chemical inhomogeneities in high -entropy alloys help mitigate the strength -ductility trade- off. Progress in Materials Science, 2024. 143: p. 101252

    2024

  21. [21]

    Q.-J. Li, H. Sheng, E. Ma , Strengthening in multi -principal element alloys with local -chemical-order 30 roughened dislocation pathways. Nature Communications, 2019. 10(1): p. 3563

    2019

  22. [22]

    Y. Wu, F. Zhang, X. Yuan, H. Huang, X. Wen, Y. Wang, M. Zhang, H. Wu, X. Liu, H. Wang, S. Jiang, Z. Lu , Short-range ordering and its effects on mechanical properties of high -entropy alloys. Journal of Materials Science & Technology, 2021. 62: p. 214-220

    2021

  23. [23]

    P. Wang, Y. Bu, J. Liu, Q. Li, H. Wang, W. Yang, Atomic deformation mechanism and interface toughening in metastable high entropy alloy. Materials Today, 2020. 37: p. 64-73

    2020

  24. [24]

    Zhang, J

    X. Zhang, J. Y an, Y.-H. Chen, R. Kevorkyants, T. Wen, X. Sun, A. Hu, J.C. Huang , Effects of lattice distortion and chemical short -range ordering on the incipient behavior of Ti -based multi-principal element alloys: MD simulations and DFT calculations. International Journal of Plasticity, 2023. 166: p. 103643

    2023

  25. [25]

    F. Tan, J. Li, B. Liu, P.K. Liaw, Q. Fang , Uncovering origin of grain boundary resistance to irradiation damage in NiCoCr multi-principal element alloys. International Journal of Plasticity, 2024. 175: p. 103925

    2024

  26. [26]

    Varvenne, A

    C. Varvenne, A. Luque, W.G. Nöhring, W.A. Curtin, Average-atom interatomic potential for random alloys. Physical Review B, 2016. 93(10): p. 104201

    2016

  27. [27]

    Zhang, J

    X. Zhang, J. Wang, K. Zheng, J. Yan, A. Hu, Y. Zhang, Y. Lin, Z. Ren , Revealing the critical roles of lattice distortion and short-range ordering in the nanoscale plasticity of CoCrNi multi-principal element alloy. International Journal of Plasticity, 2026. 200: p. 104667

    2026

  28. [28]

    L. Koch, F. Granberg, T. Brink, D. Utt, K. Albe, F. Djurabekova, K. Nordlund, Local segregation versus irradiation effects in high -entropy alloys: Steady -state conditions in a driven system. Journal of Applied Physics, 2017. 122(10): p. 105106

    2017

  29. [29]

    Sheng, M.J

    H.W. Sheng, M.J. Kramer, A. Cadien, T. Fujita, M.W. Chen , Highly optimized embedded -atom-method potentials for fourteen fcc metals. Physical Review B, 2011. 83(13): p. 134118

    2011

  30. [30]

    Zhou, R.A

    X.W. Zhou, R.A. Johnson, H.N.G. Wadley , Misfit-energy-increasing dislocations in vapor -deposited CoFe/NiFe multilayers. Physical Review B, 2004. 69(14): p. 144113

    2004

  31. [31]

    Giannozzi, S

    P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scan...

    2009

  32. [32]

    Zhang, G

    L. Zhang, G. Csányi, E. van der Giessen, F. Maresca , Atomistic fracture in bcc iron revealed by active learning of Gaussian approximation potential. npj Computational Materials, 2023. 9(1): p. 217

    2023

  33. [33]

    Zhang, G

    L. Zhang, G. Csányi, E. van der Giessen, F. Maresca, Efficiency, accuracy, and transferability of machine learning potentials: Application to dislocations and cracks in iron. Acta Materialia, 2024. 270: p. 119788

    2024

  34. [34]

    Y. Wu, G. Yan, W. Yu, S. Shen, Investigating nanostructure-property relationship of WTaVCr high-entropy alloy via machine learning optimized reactive potential. Journal of Materials Research and Technology, 2024. 32: p. 2624-2637

    2024

  35. [35]

    Y. Wu, W. Yu, S. Shen, Developing a variable charge potential for Hf/Nb/Ta/Ti/Zr/O system via machine learning global optimization. Materials & Design, 2023. 230: p. 111999

    2023

  36. [36]

    Ziegler , THE STOPPING AND RANGE OF IONS IN SOLIDS , in Ion Implantation Science and Technology (Second Edition), J.F

    J.F. Ziegler , THE STOPPING AND RANGE OF IONS IN SOLIDS , in Ion Implantation Science and Technology (Second Edition), J.F. Ziegler, Editor. 1988, Academic Press. p. 3-61

    1988

  37. [37]

    Y. Wu, W. Yu, S. Shen , Developing an analytical bond -order potential for Hf/Nb/Ta/Zr/C system using machine learning global optimization. Ceramics International, 2023. 49(21): p. 34255-34268

    2023

  38. [38]

    Y. Lin, T. Yang, L. Lang, C. Shan, H. Deng, W. Hu, F. Gao, Enhanced radiation tolerance of the Ni -Co- Cr-Fe high-entropy alloy as revealed from primary damage. Acta Materialia, 2020. 196: p. 133-143. 31

    2020

  39. [39]

    C. Shan, L. Lang, T. Yang, Y. Lin, F. Gao, H. Deng, W. Hu, Molecular dynamics simulations of radiation damage generation and dislocation loop evolution in Ni and binary Ni-based alloys. Computational Materials Science, 2020. 177: p. 109555

    2020

  40. [40]

    Plimpton , Fast Parallel Algorithms for Short -Range Molecular Dynamics

    S. Plimpton , Fast Parallel Algorithms for Short -Range Molecular Dynamics. Journal of Computational Physics, 1995. 117(1): p. 1-19

    1995

  41. [41]

    Alexander, Visualization and analysis of atomistic simulation data with OVITO –the Open Visualization Tool

    S. Alexander, Visualization and analysis of atomistic simulation data with OVITO –the Open Visualization Tool. Modelling and Simulation in Materials Science and Engineering, 2010. 18(1): p. 015012

    2010

  42. [42]

    Larsen, S

    P.M. Larsen, S. Schmidt, J. Schiøtz , Robust structural identification via polyhedral template matching. Modelling and Simulation in Materials Science and Engineering, 2016. 24(5): p. 055007

    2016

  43. [43]

    Stukowski, V .V

    A. Stukowski, V .V . Bulatov, A. Arsenlis, Automated identification and indexing of dislocations in crystal interfaces. Modelling and Simulation in Materials Science and Engineering, 2012. 20(8): p. 085007

    2012

  44. [44]

    Chowdhury, B.Z

    S.C. Chowdhury, B.Z. Haque, J.W. Gillespie , Molecular dynamics simulations of the structure and mechanical properties of silica glass using ReaxFF . Journal of Materials Science, 2016. 51(22): p. 10139 - 10159

    2016

  45. [45]

    Senkov, J.M

    O.N. Senkov, J.M. Scott, S.V . Senkova, D.B. Miracle, C.F. Woodward , Microstructure and room temperature properties of a high-entropy TaNbHfZrTi alloy. Journal of Alloys and Compounds, 2011. 509(20): p. 6043-6048

    2011

  46. [46]

    Niu, A.J

    C. Niu, A.J. Zaddach, C.C. Koch, D.L. Irving , First principles exploration of near -equiatomic NiFeCrCo high entropy alloys. Journal of Alloys and Compounds, 2016. 672: p. 510-520

    2016

  47. [47]

    Veerababu, A

    J. Veerababu, A. Nagesha, Competition between full slip and twinning in BCC-Fe: Effect of preloaded stress and temperature. Journal of Applied Physics, 2023. 134(5): p. 055102

    2023

  48. [48]

    A. Ojha, H. Sehitoglu, L. Patriarca, H.J. Maier , Twin nucleation in Fe -based bcc alloys —modeling and experiments. Modelling and Simulation in Materials Science and Engineering, 2014. 22(7): p. 075010

    2014

  49. [49]

    Zhou, D.K

    X.W. Zhou, D.K. Ward, M.E. Foster, An analytical bond -order potential for the aluminum copper binary system. Journal of Alloys and Compounds, 2016. 680: p. 752-767

    2016

  50. [50]

    Müser, S.V

    M.H. Müser, S.V . Sukhomlinov, L. Pastewka , Interatomic potentials: achievements and challenges. Advances in Physics: X, 2023. 8(1): p. 2093129

    2023

  51. [51]

    S. Lyu, W. Li, Y. Xia, Y. Chen, A.H.W. Ngan, Effects of chemical randomness on strength contributors and dislocation behaviors in a bcc multiprincipal element alloy. Physical Review Materials, 2023. 7(7): p. 073602

    2023

  52. [52]

    S. Zhao, Y. Zhang, W.J. Weber, Engineering defect energy landscape of CoCrFeNi high -entropy alloys by the introduction of additional dopants. Journal of Nuclear Materials, 2022. 561: p. 153573

    2022

  53. [53]

    Zhao, Defect properties in a VTaCrW equiatomic high entropy alloy (HEA) with the body centered cubic (bcc) structure

    S. Zhao, Defect properties in a VTaCrW equiatomic high entropy alloy (HEA) with the body centered cubic (bcc) structure. Journal of Materials Science & Technology, 2020. 44: p. 133-139

    2020

  54. [54]

    Gomberg, A.J

    J.A. Gomberg, A.J. Medford, S.R. Kalidindi, Extracting knowledge from molecular mechanics simulations of grain boundaries using machine learning. Acta Materialia, 2017. 133: p. 100-108

    2017

  55. [55]

    Y. Wu, Z. Bai, G. Yan, W. Yu, S. Shen, Size-dependent mechanical responses of twinned Nanocrystalline HfNbZrTi refractory high-entropy alloy. International Journal of Refractory Metals and Hard Materials, 2024. 125: p. 106885

    2024

  56. [56]

    J. Li, Y. Wu, Z. Bai, W. Yu, S. Shen , Nanostructure-property relation of Σ5 grain boundary in HfNbZrTi high-entropy alloy under shear. Journal of Materials Science, 2023. 58(15): p. 6757-6774

    2023

  57. [57]

    H. Li, L. Zhao, y. Yang, H. Zong, X. Ding , Improving radiation-tolerance of bcc multi -principal element alloys by tailoring compositional heterogeneities. Journal of Nuclear Materials, 2021. 555: p. 153140

    2021

  58. [58]

    F. Wang, X. Yan, T. Wang, Y. Wu, L. Shao, M. Nastasi, Y. Lu, B. Cui , Irradiation damage in (Zr0.25Ta0.25Nb0.25Ti0.25)C high-entropy carbide ceramics. Acta Materialia, 2020. 195: p. 739-749. 32

    2020

  59. [59]

    F. Tian, L. Delczeg, N. Chen, L.K. Varga, J. Shen, L. Vitos , Structural stability of NiCoFeCrAl${}_{x}$ high-entropy alloy from ab initio theory. Physical Review B, 2013. 88(8): p. 085128

    2013

  60. [60]

    X. Li, F. Tian, S. Schönecker, J. Zhao, L. Vitos , Ab initio -predicted micro-mechanical performance of refractory high-entropy alloys. Scientific Reports, 2015. 5(1): p. 12334

    2015

  61. [61]

    Qi, Effects of electronic structures on mechanical properties of transition metals and alloys

    L. Qi, Effects of electronic structures on mechanical properties of transition metals and alloys. Computational Materials Science, 2019. 163: p. 11-16

    2019

  62. [62]

    G. Yan, W. Wu, Y. Wang, M. Lan, J. Zhang, X. Liang, Y. Zhang, W. Yu, Y. Wu, S. Shen , Incipient plasticity in SrTiO3 influenced by Nb -doping and displacement rate. International Journal of Mechanical Sciences, 2025. 304: p. 110693

    2025

  63. [63]

    X. Chen, Q. Wang, Z. Cheng, M. Zhu, H. Zhou, P. Jiang, L. Zhou, Q. Xue, F. Yuan, J. Zhu, X. Wu, E. Ma, Direct observation of chemical short -range order in a medium-entropy alloy. Nature, 2021. 592(7856): p. 712-716

    2021

  64. [64]

    L. Han, C. Xu, P. Li, X. Tian, W. Jiang, Q. Wang, H. Fan , Growth behavior of dislocation loops in FeCoNiCrCu high-entropy alloy. Journal of Nuclear Materials, 2026. 620: p. 156338

    2026

  65. [65]

    Aitken, Y.-W

    Z.H. Aitken, Y.-W. Zhang, Revealing the deformation twinning nucleation mechanism of BCC HEAs. MRS Communications, 2019. 9(1): p. 406-412

    2019

  66. [66]

    Dora, S.K

    T.L. Dora, S.K. Singh, R.R. Mishra, H. Yu, N.K. Rawat, A. Verma, Exploring deformation mechanisms in a refractory high entropy alloy (MoNbTaW). International Journal of Mechanical Sciences, 2025. 288: p. 110000

    2025

  67. [67]

    W. Jian, L. Ren, Insights into orientation -dependent plasticity deformation of HfNbTaTiZr refractory high entropy alloy: An atomistic investigation. International Journal of Plasticity, 2024. 173: p. 103867

    2024

  68. [68]

    S. Guo, M. Wang, S. Sui, J. Li, H. Chen, X. Hao, X. Zhao, X. Lin , Research on optimizing strength and ductility of HfNbTaZr dual -phase high -entropy alloy by tuning chemical short -range order. International Journal of Refractory Metals and Hard Materials, 2022. 108: p. 105942

    2022

  69. [69]

    Roters, P

    F. Roters, P. Eisenlohr, L. Hantcherli, D.D. Tjahjanto, T.R. Bieler, D. Raabe , Overview of constitutive laws, kinematics, homogenization and multiscale methods in crystal plasticity finite -element modeling: Theory, experiments, applications. Acta Materialia, 2010. 58(4): p. 1152-1211

    2010

  70. [70]

    X. He, L. Liu, T. Zeng, Y. Yao, Micromechanical modeling of work hardening for coupling microstructure evolution, dynamic recovery and recrystallization: Application to high entropy alloys. International Journal of Mechanical Sciences, 2020. 177: p. 105567

    2020

  71. [71]

    Alleman, D.J

    C. Alleman, D.J. Luscher, C. Bronkhorst, S. Ghosh , Distribution-enhanced homogenization framework and model for heterogeneous elasto-plastic problems. Journal of the Mechanics and Physics of Solids, 2015. 85: p. 176-202

    2015

  72. [72]

    S. Chen, C. Qi, J. Liu, J. Zhang, Y. Wu, Recent Advances in W-Containing Refractory High-Entropy Alloys- An Overview. Entropy, 2022. 24(11)

    2022

  73. [73]

    Varma, F

    S.K. Varma, F. Sanchez, C.V . Ramana , Microstructures in a Nb -Cr-V-W-Ta high entropy alloy during annealing. Journal of Materials Science & Technology, 2020. 53: p. 66-72

    2020