Structural evolution of low-dimensional metal oxide semiconductors under external stress

Metal oxide semiconductors(MOSs) are attractive candidates as functional parts and connections in nanodevices.Upon spatial dimensionality reduction, the ubiquitous strain encountered in physical reality may result in structural instability and thus degrade the performance of MOS. Hence, the basic insight into the structural evolutions of low-dimensional MOS is a prerequisite for extensive applications, which unfortunately remains largely unexplored. Herein, we review the recent progress regarding the mechanical deformation mechanisms in MOSs, such as CuO and ZnO nanowires(NWs). We report the phase transformation of CuO NWs resulting from oxygen vacancy migration under compressive stress and the tensile strain-induced phase transition in ZnO NWs. Moreover, the influence of electron beam irradiation on interpreting the mechanical behaviors is discussed.

低维凝聚态物质的相变与结构调控

低维凝聚态物质已被广泛应用于纳米电子、传感器、离子电池、太阳能电池、能量收集/存储和微/纳米机电等领域,其微观结构与物理性能的关联是凝聚态物理学研究的核心内容.在低维尺度下,凝聚态物质的结构对应力、温度、电场等外界因素非常敏感.因此,我们可以在一个多参数空间对其结构及物性进行精细调控,进而实现一系列新奇量子物态.澄清外场作用下低维凝聚态物质结构相变的原子机制是实现上述目标的关键一环.本文简要介绍本课题组近年来针对低维物质结构稳定性研究的相关进展:(1)应力场作用下,CuO和ZnO纳米线的可逆结构相变机理;(2)高温条件下,低维W、Cu_(2)Se的结构相变机制;(3)电场作用下,钠离子迁移对框架结构钠钨青铜纳米材料结构稳定性的影响;(4)高能电子束辐照对钠钨青铜结构稳定性的影响.上述结果澄清了低维凝聚态物质在单一外场作用下的原子尺度相变过程,进一步探讨了基于外场作用下低维凝聚态物质的结构调控机理.

Effects of twin orientation and twin boundary spacing on the plastic deformation behaviors in Ni nanowires

Spreading twins throughout nano metals has been proved to effectively mediate the mechanical behaviors in face-centered-cubic(fcc)metals.However,the experimental investigation concerning the roles of twin boundary(TB)during deformation is rarely reported.Here,with the joint efforts of in-situ nanomechani-cal testing and theoretical studies,we provide a systematic investigation regarding the effects of TB orien-tation(θ,the angle between tensile loading direction and the normal of TB)and spacing on deformation mechanisms in Ni nanowires(NWs).As compared with single-crystalline counterparts,it is found that nano-twinned(nt)NWs withθ∼0°exhibit limited ductility,whereas TB can serve as an effective block-age to the dislocation propagation.In contrast,in nt NWs withθ∼20°and 55°,TB migration/detwinning induced by TB-dislocation reaction or partial dislocation movement dominates the plasticity,which con-tributes to enhanced NW ductility.Regarding nt NWs withθ∼90°,dislocations are found to be able to transmit through the TBs,suggesting the limited effect of TB on the NW stretchability.Furthermore,de-creasing TB spacing(λ)can facilitate the detwinning process and thus greatly enhance the ductility of NW withθ∼55°.This study uncovers the distinct roles that TB can play during mechanical deforma-tions in fcc NWs and provides an atomistic view into the direct linkage between macroscopic mechanical properties and microscopic deformation modes.

Orientation-dependent ductility and deformation mechanisms in body-centered cubic molybdenum nanocrystals

The knowledge regarding anisotropic mechanical behaviors in nanoscale body-centered cubic (bcc) metals remains obscure. Herein, we report the orientation-dependent ductility in bcc Mo nanocrystals (NCs), which exhibit poor ductility along [110] direction but possess relatively better ductility along the [001] and [112] orientations. The origin of different deformability can be traced down to the distinct deformation mechanisms: the unexpected crack nucleation and propagation induce premature fractures in [110]-oriented NCs;in contrast, deformation twinning could contribute to the enhanced ductility in [001]-oriented NCs;interestingly, we find the activation of multiple dislocation slips in [112]-oriented NCs with the highest ductility. Further molecular dynamics simulations provide deeper insights into the defect dynamics that are closely interlinked with experimental observations. Our findings advance the basic understanding of orientation-dependent mechanical properties and help to guide endeavors to architecture the microstructures of bcc metals with enhanced ductility.

Strong size effect on deformation twin-me diate d plasticity in body-centered-cubic iron

Deformation twinning serves as an important mode of plastic dissipation processes in nanoscale body-centered cubic(BCC)metals,but its origin and spatio-temporal features are mysterious.Here,applying in situ tensile experiments,we report a strong size effect on mediating the twinning behaviors and twin boundary(TB)-dislocation interaction mechanisms in BCC iron(Fe)nanowires(NWs).There exists a critical diameter(d)of∼2.5 nm,above which the deformation twinning rather than dislocation slip dominates the plasticity.Unlike the traditional reflection TBs,the intermediate isosceles TBs are consis-tently observed as mediated by the 1/12<111>partial dislocations.Moreover,we uncover two distinct TB-related deformation mechanisms,including twin variant re-orientation and TB cracking for NWs with d<17 nm and d>17 nm,respectively.Further molecular dynamics and statics simulations provide the basic underlying mechanisms for size-dependent plasticity,which have been largely overlooked in previous experimental investigations.Our findings highlight the importance of grain size in mediating the deformation behaviors in Fe,serving as possible guidance for exploring single-crystalline and poly-crystalline Fe-based materials(e.g.steel)with optimized mechanical performance.