二维(2D)材料单层中的可编程应变图。

IF 16 1区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
ACS Nano Pub Date : 2025-08-13 DOI:10.1021/acsnano.5c06381
Qingchang Liu*, Yue Zhang, Haiyue Dong, Nadya Mason, Arend M. van der Zande and Harley T. Johnson, 
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引用次数: 0

摘要

将机械应变引入二维(2D)材料提供了一种强大的方法来调节其性能,但精确的应变控制仍然是一个重大挑战。通过将金属氧化物薄膜作为应力源沉积在2D材料的选定区域上,过程诱导应变在应力源覆盖区域内产生空间分辨的特征应变场,并改变相邻区域的应变分布,从而能够创建应变图──复杂的、空间变化的应变张量场,这在以前的实验中很难实现。此外,与传统的全局加载方法相比,该技术在设备级提供了更通用和强大的方法。然而,它也引入了更复杂的加载配置,需要一种快速准确的工具来进行应力源设计和应变预测。在这里,我们证明了三维(3D)界面问题可以简化为二维Eshelby包含问题,然后用线性弹性中的复势法求解。此外,我们开发了一个全原子分子动力学(MD)模拟模型来解释二维材料和应力源中的应变,并验证理论预测。理论和模态模拟结果与实验结果在应变大小和分布上有很好的一致性。理论框架和基于应力源的方法为二维材料的应变编程提供了一种快速而精确的工具,并证明了在空间和时间上调整石墨烯单层中的伪磁场(pmf)的能力。这项工作为二维材料中基于应力的应变工程量子特性奠定了基础,并突出了力学理论在推进二维材料领域的力量。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Programmable Strainscapes in a Two-Dimensional (2D) Material Monolayer

Programmable Strainscapes in a Two-Dimensional (2D) Material Monolayer

Introducing mechanical strain into two-dimensional (2D) materials offers a powerful way to modulate their properties, yet precise strain control remains a significant challenge. By depositing metal oxide films as stressors on selected regions of 2D materials, the process-induced strain generates spatially resolved eigenstrain fields within the stressor-covered areas and modifies the strain distribution in adjacent regions, enabling the creation of strainscapes─complex, spatially varying strain tensor fields that were previously difficult to realize experimentally. Moreover, this technique offers a more versatile and powerful approach at the device level compared with conventional global loading methods. However, it also introduces more complex loading configurations and necessitates a fast and accurate tool for stressor design and strainscape prediction. Here, we show that the three-dimensional (3D) interfacial problem can be simplified into a 2D Eshelby inclusion problem and subsequently solved by a complex potential method in linear elasticity. Additionally, we develop a fully atomistic molecular dynamics (MD) simulation model to interpret the strain in both 2D materials and stressors and validate the theoretical predictions. Theoretical and MD simulation results show excellent agreement with experimental measurements in terms of strain magnitude and distribution. The theoretical framework and stressor-based methods provide a rapid and precise tool for programming strainscapes in 2D materials and demonstrate the ability to tune pseudomagnetic fields (PMFs) in a graphene monolayer both spatially and temporally. This work lays the foundation for stressor-based, strain-engineered quantum properties in 2D materials and highlights the power of the mechanics theory in advancing the field of 2D materials.

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来源期刊
ACS Nano
ACS Nano 工程技术-材料科学:综合
CiteScore
26.00
自引率
4.10%
发文量
1627
审稿时长
1.7 months
期刊介绍: ACS Nano, published monthly, serves as an international forum for comprehensive articles on nanoscience and nanotechnology research at the intersections of chemistry, biology, materials science, physics, and engineering. The journal fosters communication among scientists in these communities, facilitating collaboration, new research opportunities, and advancements through discoveries. ACS Nano covers synthesis, assembly, characterization, theory, and simulation of nanostructures, nanobiotechnology, nanofabrication, methods and tools for nanoscience and nanotechnology, and self- and directed-assembly. Alongside original research articles, it offers thorough reviews, perspectives on cutting-edge research, and discussions envisioning the future of nanoscience and nanotechnology.
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