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学者姓名：吴宜涵
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Abstract ：
Ordered polar structures in oxide nanofilms play a pivotal role in the development of nanoelectronic applications. Hitherto, ordered polar structures have been restricted to a limited number of ferroelectric materials, and there is no effective scheme to induce and manipulate ordered polar patterns in centrosymmetric nonpolar nanofilms due to the absence of spontaneous symmetry breaking. Here, we circumvent these limitations by utilizing the wrinkle- induced strain gradient modulation associated with flexoelectricity as a general means of inducing and manipulating ordered polar patterns in nonpolar nanofilms. Leveraging the surface instability caused by strain mismatch between oxide nanofilms and pre- strained compliant substrate, we successfully fabricate striped SrTiO3 wrinkles, where well- ordered strain gradients and corresponding periodic polar patterns are readily achieved. Through in- situ piezoresponse force microscopy experiments, we show that the generated polar patterns can be manipulated by varying strain boundaries. Furthermore, the atomistic resolution images and first- principles calculations reveal that such wrinkle- induced ordered polar patterns primarily emerge from the flexoelectric coupling between the local polarization and strain gradients. These findings provide implications for manipulating polar structures by strain gradient and flexoelectric engineering, which in turn enable the realization of nontrivial polar structures in a broader range of materials.
Keyword ：
flexoelectricity flexoelectricity nonpolar nanofilms nonpolar nanofilms polar pattern polar pattern wrinkle wrinkle
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| GB/T 7714 | Shang, Hongxing , Sheng, Tang , Dong, Huiting et al. Synthesizing ordered polar patterns in nonpolar SrTiO3 nanofilms via wrinkle- induced flexoelectricity [J]. | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA , 2024 , 121 (49) . |
| MLA | Shang, Hongxing et al. "Synthesizing ordered polar patterns in nonpolar SrTiO3 nanofilms via wrinkle- induced flexoelectricity" . | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 121 . 49 (2024) . |
| APA | Shang, Hongxing , Sheng, Tang , Dong, Huiting , Wu, Yihan , Ma, Qianqian , Zhang, Xin et al. Synthesizing ordered polar patterns in nonpolar SrTiO3 nanofilms via wrinkle- induced flexoelectricity . | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA , 2024 , 121 (49) . |
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Abstract ：
In spite of the promising prospects of the WTaVCr refractory high-entropy alloy (RHEA), the nanoscale structureproperty relationship remains largely unexplored. This study introduces a supervised machine learning (ML) framework to develop a charge-transfer ionic potential (CTIP) for the W/Ta/V/Cr/O multi-component system. This novel approach demonstrates exceptional advantages in optimizing numerous parameters of a highly flexible yet physically rigorous potential, leveraging a modified distributed breeder genetic algorithm (DBGA) to balance search comprehensiveness and efficiency. The robustness of developed potential is verified through cross-validation against first-principles predictions on various properties of metals, alloys and oxides. Subsequently, dynamic simulations of annealing, mechanical loading, surface oxidation and radiation collision are conducted utilizing CTIP. Results of these simulations align with previous experiments about nanoscale chemical ordering, plastic deformation behavior, oxidation mechanisms and radiation tolerance. These findings not only further corroborate the reliability of CTIP potential, but also uncover atomic-scale insights that are experimentally unattainable, thereby enhancing the understanding of the nanostructure-property relationship.
Keyword ：
High-entropy alloys High-entropy alloys Machine learning Machine learning Oxidation Oxidation Radiation resistance Radiation resistance Reactive interatomic potential Reactive interatomic potential Transformation induced plasticity Transformation induced plasticity
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| GB/T 7714 | Wu, Yihan , Yan, Gaosheng , Yu, Wenshan et al. Investigating nanostructure-property relationship of WTaVCr high-entropy alloy via machine learning optimized reactive potential [J]. | JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T , 2024 , 32 : 2624-2637 . |
| MLA | Wu, Yihan et al. "Investigating nanostructure-property relationship of WTaVCr high-entropy alloy via machine learning optimized reactive potential" . | JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 32 (2024) : 2624-2637 . |
| APA | Wu, Yihan , Yan, Gaosheng , Yu, Wenshan , Shen, Shengping . Investigating nanostructure-property relationship of WTaVCr high-entropy alloy via machine learning optimized reactive potential . | JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T , 2024 , 32 , 2624-2637 . |
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Classic thermoelectric coupling effects, such as the Seebeck effect, Peltier effect, and Thomson effect, highlight the significant impact of temperature on the electrical properties of materials. In contrast to these traditional effects, recent studies have identified the emergence of thermopolarization effects, where temperature gradients induce polarization changes in materials, leading to heat flow. Moreover, temperature gradients can also result in strain gradients within the material, which, unlike the piezoelectric effect, can induce polarization, giving rise to the flexoelectric effect. Despite the growing interest in thermopolarization phenomena, there remains a lack of thorough qualitative and quantitative analysis. In this study, we present a thermo-electro-elastic coupling model for an isotropic hollow cylinder incorporating thermopolarization and flexoelectric effects. This model necessitates modifications to the heat conduction equation, constitutive equation, and governing equation. Through numerical simulations, the impact of thermopolarization coefficient and flexoelectric coefficient on radial displacement, temperature, potential, and electrical displacement is investigated. The results show that the steady-state radial displacement and temperature initially increase and then decrease with variations in the thermal polarization coefficient. Moreover, an increase in the thermal polarization coefficient speeds up the thermo-electro-elastic coupling process towards a steady state. Additionally, mutual interactions between flexoelectric and thermal polarization effects are observed. This comprehensive model provides valuable insights for the design and optimization of microelectronic devices.
Keyword ：
flexoelectric effect flexoelectric effect temperature gradient temperature gradient thermo-electro-elastic coupling thermo-electro-elastic coupling thermopolarization effect thermopolarization effect
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| GB/T 7714 | Yu, Pengfei , Yang, Dianhan , Peng, Liming et al. Analysis of Flexoelectric Hollow Cylinder with Thermopolarization Effect [J]. | MECHANICS OF SOLIDS , 2024 , 59 (5) : 3024-3037 . |
| MLA | Yu, Pengfei et al. "Analysis of Flexoelectric Hollow Cylinder with Thermopolarization Effect" . | MECHANICS OF SOLIDS 59 . 5 (2024) : 3024-3037 . |
| APA | Yu, Pengfei , Yang, Dianhan , Peng, Liming , Suo, Yaohong , Wu, Yihan . Analysis of Flexoelectric Hollow Cylinder with Thermopolarization Effect . | MECHANICS OF SOLIDS , 2024 , 59 (5) , 3024-3037 . |
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