Effect of strain on charge density wave order in α-U

The effect of strain on charge density wave (CDW) order in $\alpha$-U is investigated within the framework of relativistic density-functional theory. The energetical stability of $\alpha$-U with CDW distortion is enhanced by the tensile strain along $a$ and $b$ axes, which is similar to the case of negative pressure and normal. However, the tensile strain along $c$ axis suppresses the energetical stability of CDW phase. This abnormal effect could be understood from the emergence of a new one-dimensional atomic chain along $c$ axis in $\alpha$-U. Furthermore, this effect is supported by the calculations of Fermi surface and phonon mode, in which the topological objects and the dynamical instability show opposite behaviors between strains along $a$/$b$ and $c$ axes.     

体积应变对立方钛酸铅电子结构和光学性质的影响

本文利用第一性原理方法计算并分析了体积应变(-11%~11%)对立方顺电相PbTiO₃的结构、稳定性、电子结构和光学性质的影响。研究发现体积应变后PbTiO₃形成焓增大,稳定性下降,其中压应变对其稳定性的影响比拉应变大。当受到拉伸应变时,立方PbTiO₃由直接带隙半导体变为间接带隙半导体,且带隙随应变增大呈先增大后降低的趋势。在发生压应变时,从复介电函数、复折射率及吸收系数的分析结果可知,在自然光照下PbTiO₃的光吸收能力仅在个别波段有所增大,但总体呈减弱趋势,当产生拉伸应变时,介电峰、吸收峰红移,表明PbTiO₃在可见光范围内光吸收能力增强,并且当应变增大到11%时,PbTiO₃的吸收能力远高于本征立方相。     

MECHANICAL ANALYSIS OF TOROFLUX

流动环是一款魔术玩具,具有丰富的力学行为。制作流动环时应用了预应力储存技术,使得环内部储存了弹性弯曲变形能。一经外界扰动,流动环会迅速张开,进入一种新的稳定平衡状态;若给张开的流体环输入某种形式的能量,环会合拢,恢复原有的稳定平衡状态。本文从能量的角度对流动环张开与合拢等现象进行力学分析。     

A MODAL TESTING METHOD FOR CANTILEVER BEAM1)

基于欧拉-伯努利梁理论得到悬臂梁自由振动的振型函数。通过数值计算得出实验用的悬臂梁前五阶振型的节点位置及其与梁长的比值。考虑传感器对悬臂梁固有频率的影响,建立梁-传感器模型进行仿真分析并得出悬臂梁前五阶固有频率。基于节点位置和测点位置,在实验中选择激励点。将具体实验的结果与梁-传感器仿真模型结果进行对比,通过前五阶固有频率的误差分析,发现仿真分析结果与实验结果误差最高为 1.3%。研究完整地叙述了悬臂梁的模态测试流程,可为工程技术人员的模态测试起一定的指导作用。     

3D Organic–Inorganic Perovskite Ferroelastic Materials with Two Ferroelastic Phases: [Et3P(CH2)2F][Mn(dca)3] and [Et3P(CH2)2Cl][Mn(dca)3]

Organic–inorganic hybrid perovskite-type multiferroics have attracted considerable research interest owing to their fundamental scientific significance and promising technological applications in sensors and multiple-state memories. The recent achievements with divalent metal dicyanamide compounds revealed such malleable frameworks as a unique platform for developing novel functional materials. Herein, two 3D organic–inorganic hybrid perovskites [Et₃P(CH₂)₂F][Mn(dca)₃] ( 1 ) and [Et₃P(CH₂)₂Cl][Mn(dca)₃] ( 2 ) (dca=dicyanamide, N(CN)₂⁻) are presented. Accompanying the sequential phase transitions, they display a broad range of intriguing physical properties, including above room temperature ferroelastic behavior, switchable dielectricity, and low-temperature antiferromagnetic ordering (T_c=2.4 K for both 1 and 2 ). It is also worth noting that the spontaneous strain value of 1 is far beyond that of 2 in the first ferroelastic phase, as a result of the precise halogen substitution. From the point view of molecular design, this work should inspire further exploration of multifunctional molecular materials with desirable properties.     

Effect of biaxial strain and hydrostatic pressure on the magnetic properties of bilayer CrI3

Two-dimensional van der Waals magnetic materials are intriguing for applications in the future spintronics devices, so it is crucial to explore strategy to control the magnetic properties. Here, we carried out first-principles calculations and Monte Carlo simulations to investigate the effect of biaxial strain and hydrostatic pressure on the magnetic properties of the bilayer CrI₃. We found that the magnetic anisotropy, intralayer and interlayer exchange interactions, and Curie temperature can be tuned by biaxial strain and hydrostatic pressure. Large compressive biaxial strain may induce a ferromagneticto-antiferromagnetic transition of both CrI₃ layers. The hydrostatic pressure could enhance the intralayer exchange interaction significantly and hence largely boost the Curie temperature. The effect of the biaxial strain and hydrostatic pressure revealed in the bilayer CrI₃ may be generalized to other two-dimensional magnetic materials.     

Rate sensitivity and deformation mechanism of semi-crystalline polymers during instrumented indentation

Instrumented indentation tests using both constant loading rate (CLR) and continuous stiffness measurement (CSM) operation modes were performed to investigate the deformation mechanism and their sensitivity to the deformation rate in semi-crystalline polymers through the quantitative analysis of load-depth loading and unloading curves. The strain rate was constant during the CSM tests, while the strain rate decreased with the increasing of loading time in CLR tests. The mechanical response mechanism of the semi-crystalline polymers to these tests was very complicated because of the combined effects of strain-hardening in the crystal phase and strain-softening in the amorphous phase. Results show that the loading index m reflects the strain-hardening or strain-softening response during indentation. When m > 2, the mechanical response was due to the strain-hardening, and when m < 2, the response was due to strain-softening. A method based on the measured contact hardness was proposed to obtain the unloading stiffness, and the other mechanical parameters could then be determined according to the unloading stiffness.     

Efficient Quantum Dot Light-Emitting Diodes Based on Well-Type Thick-Shell CdxZn1−xS/CdSe/CdyZn1−yS Quantum Dots

Device grade quantum dots (QDs) require QDs ensembles to retain their original superior optical properties as in solution. QDs with thick shells are proven effective in suppressing the inter-dot interaction and preserving the emission properties for QDs solids. However, lattice strain–induced defects may form as the shell grows thicker, resulting in a notable photoluminescence quenching. Herein, a well-type Cd_xZn_1−xS/CdSe/Cd_yZn_1−yS QDs is proposed, where ternary alloys CdZnS are adopted to match the lattice parameter of intermediate CdSe by separately adjusting the x and y parameters. The resultant thick-shell Cd_0.5Zn_0.5S/CdSe/Cd_0.73Zn_0.27S QDs reveal nonblinking properties with a high PL QY of 99% in solution and 87% in film. The optimized quantum dot light-emitting diodes (QLEDs) exhibit a luminance of 31547.5 cd m⁻² at the external quantum efficiency maximum of 21.2% under a bias of 4.0 V. The shell thickness shows great impact on the degradation of the devices. The T₅₀ lifetime of the QLEDs with 11.2 nm QDs reaches 251 493 h, which is much higher than that of 6.5 and 8.4 nm QDs counterparts. The performances of the well-type thick-shell QLEDs are comparable to state-of-the-art devices, suggesting that this type of QDs is a promising candidate for efficient optoelectronic devices.     

核电结构土-结相互作用分析分区混合计算方法

土-结构相互作用分析是核电结构进行抗震设计和安全评估的重要环节.在核电结构的土-结相互作用分析中,阻尼和非线性是影响结构反应的重要因素. 若采用频域分析,可以方便考虑阻尼,但需通过等效线性化来考虑非线性,不适合于强震作用下的土体非线性.若采用时域分析的逐步积分方法,适合于考虑非线性,但材料阻尼一般采用瑞利阻尼模型,除了紧靠指定阻尼比的少数几个振型外,其他振型的反应将受到瑞利阻尼模型所确定的大阻尼所抑制,造成地震反应与真实情形有较大差异.若采用时域分析的模态叠加法,可合理计入阻尼效应,但模态叠加法不能考虑非线性.因此,如何合理考虑阻尼和非线性是核电结构土-结相互作用分析需要关注的问题.基于此,本文提出一种模态叠加和时步积分结合的土-结相互作用分区算法.其中,出于安全性考虑,地震作用下核电主体结构一般不允许进入非线性,因此结构可采用模态叠加方法,以便合理考虑结构阻尼;土体和基础采用显式时步积分法,可考虑土体非线性;通过人工边界条件考虑无限域的影响 (辐射阻尼).通过简单算例对该方法进行了验证,并用于CAP1400核电结构的土-结相互作用分析中,对比分析了采用模态阻尼和瑞利阻尼时核电结构和场地反应的差异,结果表明结构阻尼模型对场地的反应影响不大,但对结构反应影响明显,在实际工程中应合理选取阻尼模型.