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郑州大学NC-非晶诱导纳米塑性变形

  • 2026-03-31 06:30:33
郑州大学NC-非晶诱导纳米塑性变形
【导读】
2026年3月5日,郑州大学单崇新教授团队在Nature Communications发表了题为Amorphization-induced plastic deformation in nanodiamonds的研究论文。
金刚石具有极高硬度、优异热导率和宽禁带等突出优势,但其本征脆性与难塑形特征长期限制了其在器件集成的进一步应用。针对这一关键问题,本文采用原位TEM力学加载技术,并结合电子能量损失谱分析与分子动力学模拟,揭示了纳米金刚石在强压缩条件下发生的非晶化诱导塑性变形机制。研究表明,不同于传统位错滑移或晶相转变主导的塑性行为,亚 13 nm 金刚石颗粒在压缩过程中可形成互连的 sp²/sp³ 混合非晶碳网络,该网络能够有效耗散应力并促进纳米晶粒的协同旋转与滑移,从而使纳米金刚石在室温下实现超过 90% 的超大压缩应变而不发生断裂;而更大尺寸颗粒则仍表现为典型脆性响应。该工作不仅突破了金刚石“高硬但难变形”的传统认知,也为超硬共价材料的微纳制造、应变工程以及先进量子与电子器件应用提供了新的理论依据与技术启示。
【内容解析】
图1 自研的原位透射电镜压缩测试系统
图 1 从实验方法可靠性与初始样品本征状态两方面,为全文纳米金刚石超大塑性变形的论证奠定基础。作者在图1a中展示自研原位透射电镜力学加载系统,通过压电驱动实现高精度压缩并原位测量力学响应,且该系统在不同条件下结果一致,排除了电子束辐照与高周疲劳效应的干扰。图1b–f通过压缩前的EELS谱与成键态映射表征显示,样品主要由sp³碳构成,无明显石墨化层、非晶层及表面污染,排除了样品初始缺陷的影响。图1的核心价值的是排除干扰因素,为后续将sp²/sp³混合非晶网络的形成明确归因于受压诱导结构转变提供了坚实依据。
图2 纳米颗粒塑性变形过程

图2从原位结构演化与力学响应变化两方面,直接展示了纳米金刚石超大塑性变形的完整过程。作者对直径约7.3 nm的纳米金刚石进行四轮压缩循环:第一轮压缩至14%应变时启动塑性变形,58 GPa应力下无裂纹或脆性断裂;第二轮颗粒内部出现并扩展非晶区;第三轮非晶区连通形成网络,分割原始颗粒为小晶粒并促进其沿非晶层滑移重排,耗散能降至约0.05 eV/cycle;第四轮小晶粒进一步滑移非晶化,应变超60%时颗粒近乎完全非晶,全过程无明显裂纹、孔洞及突发失稳。图2的核心价值的是,结合同步TEM图像与力学信号,证实纳米金刚石超大塑性源于“应力诱导非晶化—非晶网络形成—晶粒滑移重排—进一步非晶化”的连续演化过程,而非传统位错主导机制。

图3 变形过程的分子动力学仿真

图3从分子动力学模拟与应力–应变演化两方面,对图2原位实验观察到的塑性机制进行理论验证。作者模拟了约8 nm纳米金刚石的压缩过程,结果显示其结构演化与实验一致:受压初期产生局部非晶区,随后非晶区扩展连通形成贯穿颗粒的非晶网络,分割原始晶体为小晶粒,最终颗粒近乎完全非晶。对应应力–应变曲线显示弹塑性转变发生于约55 GPa,与实验测得的58 GPa高度吻合;应力在非晶化阶段上升、晶粒滑移阶段下降,明确两阶段差异。RDF分析进一步证实压缩后颗粒局域结构偏离晶体金刚石、接近非晶碳。图3的核心价值是从模拟角度佐证,纳米金刚石超大塑性由应力诱导非晶化及连续非晶网络驱动,而非传统位错运动,且该机制与实验结果吻合互补、相互支撑。

图4 压缩进程中sp²/sp³键的变化

图4从成键态定量演化与空间分布特征两方面,进一步揭示了纳米金刚石超大塑性变形的微观本质。压缩前后对比显示,压缩前样品为典型sp³金刚石特征,随应变增加,EELS谱中π*峰逐渐增强,表明sp²键含量持续上升;定量分析显示,sp²比例从16%应变时的~15%增至45%应变时的~30%,72%应变时趋于35–40%的饱和值,说明纳米金刚石在超大压缩中逐步发生sp³向sp²/sp³混合状态的结构重构,而非简单整体变软或破碎。成键态映射表明,sp²成分优先在颗粒两端应力集中区域萌生,逐步扩展连通,最终形成亚纳米尺度连续的sp²/sp³混合非晶网络,该网络包裹并连接重排小晶粒,与前述实验及模拟结果高度一致。图4的核心价值是提供化学键层面直接证据,证实纳米金刚石超大塑性源于受压形成的、可缓冲应力、允许晶粒滑移重排的混合非晶网络,而非传统位错运动。

图5 非晶化变形机制

图5从机制总结与应用延伸两方面,收束全文核心发现。作者结合前述原位实验、分子动力学模拟及EELS结果,提出纳米金刚石超大塑性变形完整路径:颗粒先经历约12%弹性变形,随后高压下发生局部非晶化;非晶区扩展连通形成sp²/sp³混合非晶网络,分割原始颗粒为细小晶粒并促进其在网络中滑移、迁移和旋转;最终小晶粒进一步非晶化,颗粒整体接近均一非晶态,压缩应变超90%,厚度逼近近单原子层极限。该超大塑性存在尺寸效应:仅颗粒尺寸小于约13 nm时,连续非晶网络可形成并主导变形,更大颗粒仍以脆性断裂为主。此外,图5g–i展示其加工潜力,超小纳米金刚石颗粒可在压缩下直接融合,实现无需加热熔化的“冷焊接”。图5的核心价值是,既总结了“非晶化诱导塑性”的完整物理图景,也将该机制从基础认知推进至微纳加工与材料组装的潜在应用层面。

【结论】

本文通过原位实验、成键分析与分子动力学模拟的多维度研究,成功突破了金刚石“高硬而脆、难以塑形”的传统认知,明确亚10 nm纳米金刚石在室温压缩下可实现超90%的超大塑性变形,且无裂纹与灾变断裂。研究证实,其塑性机制为受压诱导非晶化,即通过形成sp²/sp³混合键连续非晶网络,实现机械能耗散与晶粒协同滑移,进而完成从“脆”到“韧”的转变,且该机制仅在颗粒尺寸小于约13 nm时成立。同时,该机制可实现超小纳米金刚石室温冷焊接,展现出良好的微纳加工与材料组装应用潜力。本研究构建了自洽的非晶化诱导塑性机制图景,为超硬共价材料的塑性调控提供了新物理基础,也为其在微纳器件集成、结构工程等领域的应用开辟了新路径。

【论文来源】

https://www.nature.com/articles/s41467-026-70189-6

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  1. CONNECT:[ UseTime:0.000890s ] mysql:host=127.0.0.1;port=3306;dbname=i460;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.001381s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000596s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000585s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.001179s ]
  6. SELECT * FROM `set` [ RunTime:0.000562s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.001402s ]
  8. SELECT * FROM `article` WHERE `id` = 501880 LIMIT 1 [ RunTime:0.000889s ]
  9. UPDATE `article` SET `lasttime` = 1775083054 WHERE `id` = 501880 [ RunTime:0.026632s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.000791s ]
  11. SELECT * FROM `article` WHERE `id` < 501880 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.004356s ]
  12. SELECT * FROM `article` WHERE `id` > 501880 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.000901s ]
  13. SELECT * FROM `article` WHERE `id` < 501880 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.005279s ]
  14. SELECT * FROM `article` WHERE `id` < 501880 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.004330s ]
  15. SELECT * FROM `article` WHERE `id` < 501880 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.023342s ]
0.213768s