嵌套型C型管声子晶体低频带隙特性研究

提出了一种由多个C型管嵌套组合而成的二维亥姆霍兹共鸣器型声子晶体结构模型,使用有限元法对所提出结构的能带结构及其产生机理进行了分析.与传统C型管嵌套组合而成的声子晶体结构相比,该结构具有更加优越的低频特性,即可以在50 Hz以下的低频范围内打开带隙.将结构等效为“电感-电容”的等效电路模型,并推导出了带隙估算公式.结果表明,采用有限元法计算得到的带隙与数值估算结果具有较好的一致性.同时研究了主要结构参数对带隙的影响,数值结果表明,通过改变嵌套管数以及填充率等结构参数,能够实现在更宽的频率范围内进行带隙调制.     

弯折臂格栅结构声子晶体带隙优化

通过对弯臂格栅结构声子晶体中密度、弹性模量以及模型几何参数等因素对第一带隙宽度的影响规律的研究,对弯臂格栅结构声子晶体设计参数进行了优化,优化后的结构较初始设计结构带隙宽度增加了近三倍,该优化方法有效地改善了声子晶体的带隙特性.选取与文献中相同的参数所得的计算结果与文献中的实验结果吻合良好,证明了计算模型的理论可行性,同时设计参数对带隙的影响规律与COMSOL进行了对比也验证了规律的正确性,在此基础上利用基于NSGA-II遗传算法的优化方法可以实现对声子晶体结构带隙的控制.     

新型多重谐振结构声子晶体带隙特性研究

本文设计了一种新型的多重谐振声子晶体结构,建立了带隙上下界频率振动模态的等效模型,通过有限元方法分析了该结构的带隙产生机理以及影响带隙宽度的因素,并对模型的合理有效性进行了验证.结果表明:该结构属于局域共振型声子晶体,能够在中低频段内获得两个带隙,并且内层散射体质量决定第一带隙起始频率,外层散射体质量决定第二带隙的截止频率.通过对散射体质量,填充率,包覆层弹性模量的优化,可以对其带隙上下界频率进行调控.研究结果为声子晶体的结构设计提供了参考.     

局域共振型圆柱壳类声子晶体带隙特性研究

针对圆柱壳结构的减振问题,本文提出一种局域共振型圆柱壳类声子晶体结构,通过在圆柱壳圆周方向布置弹簧振子实现.该声子晶体的能带结构研究结果表明,该结构能够形成两条低频带隙,一条带隙的起始频率低至650 Hz,带宽为330 Hz,另一条带隙具有更低的频率范围,为0～371 Hz,带隙的形成是由于圆柱壳和弹簧振子振动的耦合.进一步分析了声子晶体的圆柱壳质量与弹簧振子的质量比、弹簧振子的刚度和元胞宽度对带隙的影响.对有限周期圆柱壳结构的传输特性分析,验证了局域共振型圆柱壳声子晶体在带隙范围内的抑制振动的能力.研究结果为圆柱壳结构的减振问题提供了理论参考.     

基于带隙特性含周期孔的声子晶体板设计

提出一种含有周期孔和周期柱的声子晶体结构,通过与原始的板柱型声子晶体结构比较,周期孔的引入在增加带隙宽度的同时也增强了其减振特性.可根据结构应变能以及提出的有效质量分析其带隙机理.同时,研究了孔半径、柱半径以及柱高度对声子晶体板带隙特性的影响.研究表明柱半径、孔半径以及柱高度的增加都会使得带隙宽度增加,对应减振特性越好.     

多振子声子晶体的低频特性研究

本文设计了一种由硅橡胶包覆层包裹4个钨振子的新型声子晶体结构,通过有限元法计算该结构的色散曲线、振动模态和传输损失谱。结果表明,该结构的带隙范围为18.85~225.28 Hz,与传输损失谱频率衰减范围相吻合,能够有效抑制20~200 Hz的弹性波在声子晶体中传播。通过分析色散曲线上点的振动模态,说明带隙产生的原因。本文讨论了声子晶体板的缺口角度和振子之间的纵向和横向间距对带隙的影响,结果表明:当缺口角度减小时,带隙下边界几乎保持不变,带隙上边界升高从而增加了带隙的宽度;振子之间横向或纵向间距增大时,带隙下边界和上边界均上升,带隙变宽,进而优化了声子晶体模型的带隙。同时声子晶体板的缺口设计能够节省材料,从而减轻结构的质量。     

双局域共振Helmholtz声子晶体带隙研究

设计了一种双局域共振原理的Helmholtz型声子晶体结构,该结构采用U字型嵌套设计,分为内外两个腔,摆脱了内腔空气对带隙上限的影响,使得低频带隙上限得以大大提高.在分析低频带隙形成机理和影响因素时,将弹性杆-弹簧模型引入理论计算,使得简化模型计算精度得以提高.研究表明:该结构具有良好的低频带隙特性,其最低带隙范围为86.9～445.9 Hz.结构低频带隙主要受晶格常数、壁厚、细管宽度和长度的影响.在保持其它参数不变的情况下,带隙上限随晶格常数、壁厚和细管长度的增加而降低,随细管宽度的增加而增加;带隙下限随晶格常数、细管长度的增加而降低,随细管宽度、壁厚的增大而增大.该研究为低频噪声控制提供了一定的理论支持,拓宽了声子晶体的设计思路.     

单面柱局域共振声子晶体低频带隙特性分析及结构改进研究

基于有限元法对单面柱局域共振声子晶体进行带隙特性分析,研究了结构参数对该类型声子晶体的影响。结果表明:随着散射体高度的增加,单面柱声子晶体的第一完全带隙的起始频率逐渐降低,带宽逐渐增大;随着基板厚度的增大,单面柱声子晶体的起始频率逐渐升高,截止频率先增大后减小。并且在经典单面柱声子晶体的基础上,组合了两种新型的三组元单面柱声子晶体结构:嵌入式单面柱声子晶体(以下简称结构Ⅰ)和粘接式单面柱声子晶体(以下简称结构Ⅱ)。通过对其带隙特性的分析得出:这两种新结构与经典的单面柱声子晶体相比,都具有更低频的带隙,这对于低频减振降噪是非常有利的。本文的结果将对实际的工程应用提供一定的理论指导。     

不同参数声子晶体第一完全带隙影响因素研究

基于时域有限差分法研究了二维声子晶体的第一完全带隙,数值计算了不同基体和散射体参数下XY模式的带隙特性.结果表明随着散射体与基体密度比的增大,第一完全带隙增宽.同时研究了不同晶格结构参数和填充率参数对第一完全带隙的影响,三角晶格的填充率高于正方晶格,较宽的带隙范围.研究结论为声子晶体器件的设计提供理论依据.     

不同材料构成声子晶体带隙特性研究

基于平面波展开法研究不同材料构成声子晶体带隙特性.数值模拟得到碳散射体与不同基体材料构成正方形声子晶体XY模式的能带结构,环氧树脂基体与不同散射体材料构成正方形声子晶体XY模式的能带结构,正方形和三角形结构声子晶体Z模式的能带结构.结果表明增加散射体与基体的密度比,更容易出现带隙,三角形结构相比正方形结构更易形成较宽带隙.研究结论为声子晶体器件制作提供理论依据.     

First-principles coexistence simulations of supercooled liquid silicon

We perform first-principles coexistence simulations of the low-density and the high-density phases of supercooled liquid silicon and find a negative slope for the coexisting line in the temperature-pressure plane. Electron density maps and electron-localization function plots of the two phases of silicon show marked differences. The calculated differences suggest more localized electrons in the low-density liquid compared to the high-density liquid, coming from an increased population of covalent bonds, which further explain the calculated negative slope in the two phase coexistence regime. This is consistent with the presence of a pseudo-gap in low-density liquid silicon, absent in the high-density liquid which shows a metallic behavior.     

Triethyl ammonium salt of O,O′-bis(p-tolyl)dithiophosphate, [Et3NH]+[(4-MeC6H4O)2PS2]−

Triethyl ammonium Salt of O,O′-bis(p-tolyl)dithiophosphate and O,O′-bis(m-tolyl)dithiophosphate have been obtained by reaction of p- and m-cresol, respectively with P₂S₅ in toluene and have been characterized by elemental analysis, IR, ¹H and ³¹P NMR spectroscopy. The molecular structure of O,O′-bis(p-tolyl)dithiophosphate has been determined. Crystal data: [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻: Monoclinic, P2₁/c, a=15.2441(9) ?, b=10.415(2) ?, c=3.9726(9) ?, β=91.709(7)°, V=2217.5(1) ?⁻³, Z=4.Supplementary materials Additional material available from the Cambridge Crystallographic Data Centre (CCDC no. 600927 for [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻ comprises the final atomic coordinates for all atoms, thermal parameters, and a complete listing of bond distances and angles. Copies of this information may be obtained free of charge on application to The Director, 12 Union Road, Cambridge CB2 2EZ, UK (fax: +44-1223-336033; email: deposit@ccdc.cam.ac.uk or www:http://www.ccdc.cam.ac.uk).     

Crystal structures of thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane

Structures of both thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane, ?C₆H₄?CH₂SCH₂?C₆H₁₀?CH₂SCH₂?, have been determined, wherecis andtrans refer to the attachments to the cyclohexane ring. Thecis form crystallizes in the monoclinic space groupP2₁/c witha=8.4299(11)Å,b=21.772(2)Å,c=8.9724(13)Å, β=116.574(11)^o, andZ=4. Thetrans isomer packs into the monoclinic space groupP2₁ witha=8.159(16)Å,b=10.185(5)Å,c=9.558(2)Å, β=112.435(18)^o, andZ=2. The cyclohexane ring of thecis isomer is in the chair conformation, while the cyclohexane of thetrans isomer is found in a twisted boat conformation.     

CTAB与SDBS对碳酸锶粒子生长形态调控及机理研究

以表面活性剂CTAB和SDBS为化学添加剂,采用化学共沉淀法对碳酸锶晶体的生长形态进行调控,成功地制备出了实心的树枝状和花瓣为空心的花状碳酸锶粉体,并用X射线衍射(XRD)、扫描电子显微镜(SEM)和傅里叶变换红外光谱(FT-IR)等分析手段对样品进行了表征;最后重点对化学添加剂可能产生的影响机理进行了初步的探讨.结果表明,CTAB和SDBS在晶体生长的过程中能起到显著的影响作用,两者对粒子分散性能的作用效果相反,而且后者对晶体(013)和(213)晶面表面能降低的贡献明显大于前者.     

Crystal structures of the cis and trans isomers of a tetrathia[3.3.3.3]cyclophane

Both the cis and trans isomers of 3,11,18,26-tetrathiatricyclo[26.2.2.1^5,9.2^13,16.1^20,24] hexatriaconta-5,7,9,20,22,24-hexene have been prepared and structurally characterized. Each of these centrosymmetric tetrathia dimers includes two cyclohexane rings in chair conformations with either 1,4-cis or 1,4-trans bonding and two meta-substituted benzene rings. The cis isomer packs into the monoclinic space group P2₁/a with a = 10.485(3)Å, b = 10.3956(18)Å, c = 14.1343(10)Å, = 105.200(13)°, Z = 2 and refined to an R factor of 0.046. The trans isomer crystallizes in the monoclinic space group P2₁/c with a = 10.7217(12)Å, b = 5.6797(7)Å, c = 25.415(5)Å, = 96.001(12)°, Z = 2 and refined to an R factor of 0.043. In the cis structure each benzene ring faces a cyclohexane ring while in the trans structure the cyclohexane rings face one another.     

Crystal structure of Zn4Na(OH)6SO4Cl·6H2O

The structure of Zn₄Na(OH)₆SO₄Cl·6H₂O, a secondary mineral from Hettstedt, Germany, was determined by single-crystal X-ray diffraction. The crystals are hexagonal,a=8.413(8),c=13.095(24) Å, space group $P\bar 3$ , Z=2. The structure was refined to R=0.0554 and R_w=0.0903 for 970 reflections with I≥3σ(I). The structure can be described as zinc hydroxide layers perpendicular toc, from which sulfates and chlorides extend. The layers are held together by a system of hydrogen bonds involving hexaaquo Na⁺ ions which occupy the interlayer space.     

Synthesis and Crystal Structure of 5-[2-(6-bromonaphthalenyloxymethyl)]-3-(4-morpholinomethyl)-1,3,4-oxadiazole-2(3<Emphasis Type="Italic">H</Emphasis>)-thione

Abstract  The title compound, C₁₈H₁₈BrN₃O₃S, a derivative of 1,3,4-oxadiazole, crystallizes in the triclinic space group P-1 with unit cell parameters a = 6.8731(3), b = 8.9994(4), c = 15.7099(6) ?, α = 92.779(3)°, β = 130.575(3)°, γ = 107.868(4)°, Z = 2. The dihedral angle between the mean planes of the planar naphthyl and morpholine (chair) rings with the planar oxadiazol ring is 50.1(8) and 76.8(6)°, respectively. The planar naphthyl ring is twisted 52.2(5)° with the mean plane of the morpholine ring. A group of four intermolecular close contacts are observed between a bromine atom and hydrogen atoms from the closely packed naphthyl, morpholine and oxy–methyl groups in the unit cell. These molecular interactions in concert with an additional series of π–π stacking interactions that occur between the center of gravity of the two 6-membered rings of the naphthalene group influence the twist angles of each of these three groups. A MOPAC AM1 calculation of the conformation energy of the crystal structure [226.0128(9) kcal] compared to that of the minimum energy structure after geometry optimization [29.9744(1) kcal] reveals a significantly reduced value. The twist angles of the three groups above also change after the AM1 calculation giving support to the influence of both intermolecular C–H···Br short-range interactions and Cg π–π stacking interactions on these angles which therefore play a role in stabilizing crystal packing. Graphical Abstract  Crystal structure of 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione, C₁₈H₁₈BrN₃O₃S, is reported and its geometric and packing parameters described and compared to a MOPAC computational calculation. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

电沉积法制备ZnO纳米棒阵列及其发光特性

本文以掺F的SnO2导电玻璃为基板,以硝酸锌水溶液为电解液,采用三电极恒电位体系电沉积制备ZnO纳米棒阵列,系统考察了硝酸锌浓度和沉积电位等工艺参数对ZnO纳米棒阵列的微观形貌及其发光性能的影响规律.结果表明,硝酸锌浓度和沉积电位对纳米棒阵列的形貌有显著影响,控制适宜的工艺条件可以制备出直径分布均匀、结晶性好且纯度高的六方纤锌矿ZnO纳米棒阵列.荧光光谱分析表明,电沉积制备出的ZnO纳米棒阵列在385 nm附近有一个强荧光发射峰,且发光性能稳定、对纳米棒阵列微观形貌的细微变化不敏感,使其在发光二极管和激光器等领域具有广阔的应用前景.     

Crystal structure of irisolidone from the flowers of Pueraia lobata

Irisolidone (5,7-dihydroxy-6,4′-dimethoxyisoflavone) was isolated from the flowers of Pueraia lobata and its crystal structure was examined by X-ray single crystal diffraction. The crystal structure of irisolidone is monoclinic, space group P2₁/c with a = 15.491(9) ?, b = 7.895(4) ?, c = 13.321(7) ?, β = 110.546(9)° and Z = 4. Hydrogen bonding and aromatic π–π stacking assemble the title compound into a three-dimensional networking structure.