First principle study of edge topological defect-modulated electronic and magnetic properties in zigzag graphene nanoribbons

Zigzag graphene nanoribbon(ZGNR) is a promising candidate for next-generation spintronic devices. Development of the field requires potential systems with variable and adjustable electromagnetic properties. Here we show a detailed investigation of ZGNR decorated with edge topological defects(ED-ZGNR) synthesized in laboratory by Ruffieux in 2015[Pascal Ruffieux, Shiyong Wang, Bo Yang, et al. 2015 Nature 531 489]. The pristine ED-ZGNR in the ground state is an antiferromagnetic semiconductor, and the acquired band structure is significantly changed compared with that of perfect ZGNR. After doping heteroatoms on the edge, the breaking of degeneration of band structure makes the doped ribbon a half-semi-metal, and nonzero magnetic moments are induced. Our results indicate the tunable electronic and magnetic properties of ZGNR by deriving unique edge state from topological defect, which opens a new route to practical nano devices based on ZGNR.     

Self-compression of 1.8-μm pulses in gas-filled hollow-core fibers

We numerically study the self-compression of the optical pulses centered at 1.8-μm in a hollow-core fiber(HCF) filled with argon. It is found that the pulse can be self-compressed to 2 optical cycles when the input pulse energy is 0.2-m J and the gas pressure is 500-mbar(1 bar = 10~5 Pa). Inducing a proper positive chirp into the input pulse can lead to a shorter temporal duration after self-compression. These results will benefit the generation of energetic few-cycle mid-infrared pulses.     

短纤维增强EPDM包覆薄膜超弹性本构模型

短纤维增强三元乙丙橡胶(EPDM)包覆薄膜用于一种新型缠绕包覆工艺,主要解决复杂构型自由装填药柱外表面可靠性包覆问题.为了描述其在固体火箭发动机工作过程中产生的大变形、非线性和各向异性等力学行为,根据纤维增强复合材料连续介质力学理论,提出了各向异性超弹性本构模型.该模型中单位体积的应变能函数被解耦成两部分:表征各向同性的橡胶基体应变能和表征各向异性的纤维拉伸应变能,通过引入纤维方向对纤维应变能进行修正,给出了通过单轴拉伸、偏轴拉伸实验数据获取模型参数的具体方法.研究结果表明,该模型能够很好地预测材料在纤维方向0°~45°时的各向异性力学特性,并将预测结果与实验数据对比,误差在5%以下.所建立的各向异性超弹性本构模型准确性高、易于实现数值开发,在一定程度上能够为固体火箭发动机的装药结构完整性分析提供理论依据.     

基于高斯拟合的光纤型SPR信号的峰值检测算法

光纤型表面等离子共振光谱具有半峰宽较宽,共振峰不尖锐等特征,传统的针对棱镜型SPR光谱的峰值检测算法无法准确定位此类光谱的共振峰值。为了准确计算光纤型SPR光谱的共振波长,提出了一种基于信赖域算法的高斯拟合方法,在拟合的光谱曲线上利用一维搜索的方式确定峰值位置。通过对标准甘油光谱数据的处理,证明高斯拟合法能够适应光纤型SPR光谱的特征,波长计算准确。通过搭建的SPR系统,实验测量了不同浓度下蔗糖溶液的SPR光谱数据,并分别采用加权质心法,追踪质心法和该研究提出的高斯拟合法进行共振波长的计算。结果表明高斯拟合法能够有效提升分辨率,且运算速度较快,有利于工程集成。     

Continuous-wave mid-infrared intracavity singly resonant optical parametric oscillator based on periodically poled lithium niobate

This paper reports a continuous-wave (CW) mid-infrared intracavity singly resonant optical parametric oscillator based on periodically poled lithium niobate (PPLN) pumped by a diode-end-pumped CW Nd:YVO$_{4}$ laser. Considering the thermal lens effects, it adopted an optical ballast lens and the near-concentric cavity for better operation. At the PPLN's grating period of 28.5\,$\mu$m and the temperature of 140\du, the maximum idler output power of 155\,mW at 3.86\,$\mu$m has been achieved when the 808\,nm pump power is 8.5\,W, leading to an optical-to-optical conversion efficiency of 1.82{\%}.     

Interaction of Shock Waves in Cement Mortar Plate Investigated by the Digital Speckle Correlation Method

Interaction of shock waves in cement mortar plate is studied by digital speckle correlation method and digital high-speed photography technique. When the plates were destroyed by two detonators exploding at the same time, variation of shock wave field is obtained. Experimental results show that the interaction of shock waves will result in a nonlinear huge increase of local normal strain, leading to large deformation and serious destruction. However, the occurrence of this strongly nonlinear phenomenon sensitively depends on the interval between detonators, and it will only appear when the interval is smaller than the diameter of the region where shock waves exist.     

Gaussian软件在高分子化学教学中的应用

基于计算思维,运用工具化、具象化解决问题的方法,将Gaussian软件用于高分子化学教学.将乙烯自由基聚合中的"回头咬"、乙烯以及氯乙烯自由基聚合中的链增长过程以及自由基聚合中的活性中心自由基的结构等,直观、动态而又准确地呈现了出来,实现了部分自由基聚合过程的可视化、精确化呈现,可帮助学生更容易、更直观、更准确地理解相...     

动态光散射分析不同物化条件下酪蛋白的聚集行为及其胶束尺寸

采用动态光散射技术考察了酪蛋白胶束在各种物化条件(温度、浓度、pH、离子强度、乙醇)下的聚集行为,并测定了胶束尺寸。结果表明:热处理导致酪蛋白胶束发生离解,平均流体力学半径(Rh)值不断减小,且当蛋白浓度较低时热离解过程为可逆,而浓度较高时则为不可逆;酪蛋白胶束的Rh值随蛋白浓度及离子强度的增加均呈现先减小后逐渐增大的趋势,并分别在2g/L和0.1mol/L时达到最小值;而Rh值随pH值的增加则先增大再逐渐减小,并在pH7.0时达到最大值;添加乙醇使酪蛋白胶束不断聚集,Rh值逐渐增加,溶液散射光强(Iθ)呈指数增长。     

聚缩醛药物载体的合成表征及其降解动力学的NMR研究

在对甲苯磺酸催化下, 将聚乙二醇2000(PEG2000)和氨基保护的丝胺醇与三甘醇二乙烯基醚三元共聚, 再脱去丝胺醇的氨基保护基团, 合成了4种氨基含量不同的聚缩醛PA1, PA2, PA3和PA4, 用1H NMR表征了其结构. 同时, 利用1H NMR监测了聚缩醛PA3在pH值为7.4, 6.5和5.7的磷酸缓冲液及pH值为4.7, 4.1和3.8的醋酸缓冲液中的降解行为. 结果表明, PA3在酸性缓冲液介质中的降解反应符合一级反应动力学方程, 且随着介质pH值的减小降解速率常数增大, 降解半衰期减小.     

肝组织特异性非离子型高分子磁共振造影剂的制备及性能评价

L-酪氨酸甲酯与DTPA双N-羟基琥珀酰亚胺活性酯(SuO-DTPA-OSu)反应,合成了含L-酪氨酸甲酯残基的DTPA单N-羟基琥珀酰亚胺活性酯(SuO-DTPA-Tyr).以EDC/NHS为媒介,通过一步反应将不同量的乳糖酸偶联到α,β-聚[(2-氨乙基)-L-天冬酰胺]上,然后将含有苯环的结构的SuO-DTPA-Tyr与联有D-半乳糖的α,β-聚[(2-氨乙基)-L-天冬酰胺]反应,合成了3种含糖量不同的大分子配体,并制备了其Gd(III)螯合物.结果表明,EDC/NHS方法操作简便,产率高且易于提纯;而SuO-DTPA-Tyr上L-酪氨酸甲酯残基的引入,不仅实现了高分子造影剂的非离子化,同时L-酪氨酸甲酯残基上的苯环结构也可以方便核磁氢谱的指认.大分子配体的细胞毒性随含糖量降低而增加,但均小于同浓度聚(L-赖氨酸)的毒性;大分子螯合物的细胞毒性与商用小分子造影剂的细胞毒性相当,但其弛豫率明显高于小分子造影剂的弛豫率;大分子螯合物在小白鼠肝部有比商用小分子造影剂(钆喷酸葡胺)更好的成像增强效果及更长的停留时间,且在注射后前6h,含D-半乳糖酸残基的大分子螯合物比不含D-半乳糖酸残基的大分子螯合物在小白鼠肝部的代谢速率慢,并呈现出更清晰的造影效果.