起始端工艺对某高温合金定向组织中斜晶的影响

研究了板状试样的液态金属冷却定向组织中斜晶的形成过程。结果表明:定向试样起始端晶粒数目少(3个/cm,表面宽度方向),试样中容易出现斜晶;定向试样起始端晶粒数目足够多时(10个/cm,表面宽度方向),在抽拉开始到试样与锡液接触之前的过程中,如果抽拉速率过大,定向组织中同样会形成斜晶。

磨盘碾磨力场作用下聚丙烯/石墨体系中聚丙烯晶态结构的变化

通过磨盘碾磨制备了PP 石墨复合粉末 .用FT IR ,XRD和DSC表征了磨盘剪切力场作用下 ,PP 石墨体系中 ,聚丙烯结构与性能的变化 .结果表明 ,磨盘碾磨使PP有序结构破坏 ,分子链断裂并与石墨的表面官能团之间发生了固相力化学反应 ,导致其结晶度降低 (由 5 7 2 %降低到 2 6 4%) ,晶面间距增大 ( ( 0 1 0 )面由 0 62 3nm增加到 0 63 2nnm) ,晶粒尺寸减小 (由 1 2 83nm减小到 6 48nm) ,这些变化 ,在热压成型的非等温过程中部分得到恢复 ,且α 晶的 ( 0 40 )面生长有择优性 ,其XRD强度大大超过 ( 0 1 0 )面 ,微晶尺寸更大 .同时发现 ,在PP 石墨复合粉末和复合材料中 ,α 单斜晶部分地转化为γ 三斜晶 ,在PP 石墨复合材料中 ,γ 三斜晶占 3 4 8%.

尼龙-6 18的晶型转变研究

以偶偶尼龙-6 18为例,通过示差扫描量热分析(DSC)、广角X射线衍射(WAXD)与傅里叶变换红外光谱(FTIR)等方法研究了其B rill转变的过程,探索了脂肪族聚酰胺的晶型转变的本质.X射线衍射结果表明,随着温度的升高,尼龙-6 18由三斜晶系转变为假六方晶型,同时其DSC曲线上出现一个较宽的吸热峰.红外光谱结果表明,在其晶型转变过程中,晶体内氢键强度逐渐减弱,与酰胺键相连的C—C和C—N键发生扭曲.酰胺基团之间的亚甲基链段的振动逐渐增强,部分亚甲基单元由反式构象变成旁式构象,最后整齐排列的亚甲基链段逐渐变得无序化.

降凝剂对蜡晶晶格参数的影响

实验考察了丙烯酸二十二酯降凝剂对原油中蜡相变过程的蜡晶晶格参数的影响。分离出的蜡结晶为正交晶型的晶体,晶面距为0.415 6 nm,结晶度为70.5%,表现为长程有序;原油组分中胶质和沥青质的存在增大了蜡晶转化成斜方晶型的趋势,使蜡晶的晶面距增大,蜡晶表现为短程有序,这种转化依赖于原油组分的性质和含量;降凝剂降低蜡晶体的有序度,晶面距增大到0.419 0 nm,57%的蜡转化为斜方晶型,降低了蜡晶之间的相互作用力,导致原油凝点和粘度降低。

新的六方晶钨氧化合物Na_xWO_3的制备

用热液法制备了ＮａｘＷＯ３，ｘ为０００１８～００３８０，这是一类新的六方晶钨氧化合物．斜方晶钨酸钠酸化水洗，再进行热液脱水；当钠含量≥１６０×１０－６时（质量分数），得到斜方晶ＷＯ３·１３Ｈ２Ｏ单相，当钠含量≤４０×１０－６时，得到ＷＯ３·Ｈ２Ｏ单相，当钠含量在４０×１０－６～１６０×１０－６之间则为两相混合物．斜方晶ＷＯ３·１３Ｈ２Ｏ在２９０～４２０℃脱水得到六方晶ｈＮａｘＷＯ３；继续升高温度在４２０～４５０℃恒温处理，则得到单斜晶ｍＮａｘＷＯ３．

降凝剂对胜利原油蜡晶的影响

利用X-RAY衍射、偏光显微镜和微电泳仪研究了降凝剂对原油中蜡的结晶的影响。 取得以下主要结论:从原油中分离出的蜡晶为正交晶型的晶体,晶面距为0．4156nm,结晶度 为70．5％,表现出长程有序;原油组分增大了蜡晶转化成斜方晶型的趋势,使蜡晶的晶面距 增大,蜡晶表现为短程有序,这种转化依赖于原油组分的性质和含量;降凝剂降低蜡晶体的 有序度,晶面距增大到0．4190nm,57％的蜡转化为斜方晶型;降凝剂使蜡晶带电,由于电性 排斥使蜡晶高度分散而稳定存在．

Experimental and numerical investigations on acoustic damping of monoclinic crystalline wideband sound absorbing structures

In order to overcome the limitations of traditional microperforated plate with narrow sound absorption bandwidth and a single structure,two multi-cavity composite sound-absorbing materials were designed based on the shape of monoclinic crystals:uniaxial oblique structure(UOS)and biaxial oblique structure(BOS).Through finite element simulation and experimental research,the theoretical models of UOS and BOS were verified,and their sound absorption mechanisms were revealed.At the same time,the influence of multi-cavity composites on sound absorption performance was analyzed based on the theoretical model,and the influence of structural parameters on sound absorption performance was discussed.The research results show that,in the range of 100-2000 Hz,UOS has three sound absorption peaks and BOS has five sound absorption peaks.The frequency range of the half-absorption bandwidth(α>0.5)of UOS and BOS increases by 242% and 229%,respectively.Compared with traditional microperforated sound-absorbing structures,the series and parallel hybrid methods significantly increase the sound-absorbing bandwidth of the sound-absorbing structure.This research has guiding significance for noise control and has broad application prospects in the fields of transportation,construction,and mechanical design.

含氟三氯化锑溶液中和水解产物的物相

研究了含氟三氯化锑溶液中和水解产物的物相。结果表明:当三氯化锑溶液中氟离子含量较低时,中和水解初始沉淀产物物相为氯氧锑;当氟离子含量高于3mol/L时,三价锑溶液中和水解初始沉淀产物为三氧化二锑;当三价锑溶液中和水解的pH=10时,随着氟离子含量的增加,沉淀产物中斜方晶型三氧化二锑的含量随之降低,而立方晶型三氧化二锑的含量则逐渐增加;对一定含量氟离子的三氯化锑溶液,随着水解母液pH值的升高,水解产物中不同晶型三氧化二锑含量也有相同的变化规律。

降凝剂对原油蜡相变的影响

探讨了降凝剂对原油中蜡相变过程的影响,得出了固态蜡为正交晶型的结论。在蜡相变过程中,胶质使蜡的固-液相变能从5 .6 3J·g-1降低到2 .94J·g-1,同时斜方晶型-正交晶型的转变能从1.5 7J·g-1升高到6 .6 1J·g-1;在蜡相变过程中,降凝剂使蜡的固-液相变能从5 .6 3J·g-1降低到0 .4 7J·g-1,同时斜方晶型-正交晶型的转变能从1.5 7J·g-1升高到8.0 2J·g-1;因此,胶质和降凝剂增大蜡晶处于液态的趋势,达到了降低原油凝点的目的;降凝剂是否具有降凝作用,在于降凝剂分子结构与蜡的分子结构是否匹配,另外,原油的组分性质对降凝效果的影响也很大。降凝剂是否有效还与蜡的分子结构有关,如果蜡的相变过程不存在斜方晶型→正交晶型转变过渡态,降凝剂不会对这种蜡产生作用。

含氟三氯化锑溶液中和水解过程研究

研究含氟三氯化锑溶液中和水解过程。结果表明,在相同pH条件下,含氟离子三价锑溶液中氟离子含量越高,三价锑的水解率越低,相反,氯离子含量越高,水解率越高。而当氟离子含量较高时,中和水解产物物相为三氧化二锑,并非氯氧锑,并且随着水解母液pH升高,水解产物三氧化锑的晶型逐渐由斜方晶型向立方晶型转变。

水热法制备KNbO_3粉体的研究

以KOH和Nb2O5为原料,KOH作为矿化剂,通过水热法合成了结晶度高、晶粒发育完整的KNbO3微晶。借助XRD分析了钾铌比、反应温度和反应时间对晶相和粒度的影响;并通过SEM分析了KNbO3的晶粒形貌。研究结果表明:钾铌比和反应温度是水热合成铌酸钾粉体的关键因素,所得铌酸钾为斜方晶相的微晶。

铌酸钠粉体的水热合成及表征

以NaOH和Nb2O5为原料,KOH为矿化剂,用水热法合成了结晶度高晶粒发育完整的NaNbO3粉体。借助XRD分析了r(Na∶Nb)、反应温度和反应时间对晶系和晶粒度的影响;并通过SEM分析了NaNbO3的晶粒形貌。结果表明:在r(Na∶Nb)为4∶1,反应温度为200℃的条件下,可得到分散性良好,无团聚的NaNbO3粉体,其晶体为斜方晶系,平均晶粒径37nm。

A Novel Fully-Depleted Dual-Gate MOSFET

A novel fully-depleted dual-gate MOSFET with a hetero-material gate and a lightly-doped drain is proposed. The hetero-material gate, which consists of a main gate and two side-gates,is used to control the surface potential distribution. The fabrication process and the device characteristics are simulated with Tsuprem-4 and Medici separately. Compared to a common DG fully depleted SO1 MOSFET,the proposed device has much higher on/off current ratio and superior sub-threshold slope. The on/off current ratio is about 10^10 and the sub-threshold slope is nearly 60mV/dec under a 0.18μm process.

Molecular dynamics simulation of fracture behaviors of <110> tilt grain boundaries in γ-TiAl

Molecular dynamics(MD) simulations were carried out to study the fracture behaviors of several symmetric tilt grain boundaries in γ-Ti Al bicrystals with <110> misorientation axes. Tensile deformation along direction perpendicular to grain boundary was simulated under various strain rates and temperatures. The results indicate that the relative orientation of the grains and the presence of certain atom units are two critical factors of the interface structure affecting the stress required for dislocation nucleation. Dislocations nucleate and extend at or near the symmetric tilt grain boundaries during the tensile deformation of Σ3(111) 109.5°, Σ9(221) 141.1° and Σ27(552) 148.4° interfaces. For Σ27(115) 31.6° and Σ11(113) 50.5° interfaces, the interfaces fractured directly in a cleavage manner due to no dislocation emitted from the boundary. The tensile fracture mechanisms of the bicrystals are that micro-cracks nucleate at the grain boundary and propagate along the interface. The variance of crack propagation is whether there is accommodation of plastic region at the crack tips.

Electronic structure and flotation behavior of monoclinic and hexagonal pyrrhotite

Electronic structures of monoclinic and hexagonal pyrrhotite were studied using density functional theory method,together with their flotation behavior. The main contribution of monoclinic pyrrhotite is mainly from Fe 3d, while that of hexagonal pyrrhotite is from Fe 3d, Fe 3p and S 3s. The hexagonal pyrrhotite is more reactive than monoclinic pyrrhotite because of large density of states near the Fermi level. The hexagonal pyrrhotite shows antiferromagnetism. S—Fe bonds mainly exist in monoclinic pyrrhotite as the covalent bonds, while hexagonal pyrrhotite has no covalency. The main contributions of higest occupied molecular orbital(HOMO) and lowest unoccupied molecular obital(LUMO) for monoclinic pyrrhotite come from S and Fe. The main contribution of HOMO for hexagonal pyrrhotite comes from Fe, while that of LUMO comes from S. The coefficient of Fe atom is much larger than that of S atom of HOMO for hexagonal pyrrhotite, which contributes to the adsorption of Ca OH+ on the surface of hexagonal pyrrhotite when there is lime. As a result, lime has the inhibitory effect on the floatation of hexagonal pyrrhotite and the coefficient of Fe is very close to that of S for monoclinic pyrrhotite. Therefore, the existence of S prevents the adsorption of Ca OH+on the surface of monoclinic pyrrhotite, which leads to less inhibitory effect on the flotation of monoclinic pyrrhotite.

Synthesis and Crystal Structure of Ammonium cis-Dioxo Dibenzilato Tungstate (VI) Dihydrate

A mononuclear tungsten-benzilate, (NH4)2[WO2(Ph2COCOO)2]?H2O was ob- tained by the reaction of ammonium tungstate(VI) with excess benzilic acid in ethanol solution at pH 5~6. The title compound crystallizes in monoclinic system, space group P21/n with a = 8.1078(5), b = 25.797(2), c = 13.6815(8) ? b = 91.001(1)? V = 2861.1(3) 3, Dc = 1.719 g/cm3, F(000) = 1472, C28H32N2O10W, Mr = 740.41, m(MoKa) = 4.097 mm-1 and Z = 4. The full-matrix least-squares refinement resulted in R = 0.033 and Rw = 0.068 for 3974 observed reflections with I >2s(I). The tungsten atom is six-coordinated by two cis-oxo groups and two bidentate benzilate ligands through deprotonated a-alkoxyl and a-carboxyl groups, forming a stable five-membered chelate ring. The compound has a distorted octahedral geometry, which is mainly attributable to the bulky ligand-ligand repulsions.

Cerium phosphate-supported Au catalysts for CO oxidation

LaPO_4 and hydroxyapatite(Ca_(10)(PO_4)_6(OH)_2)are typical metal phosphates recently found to be useful for making supported metal or metal oxide catalysts,but CePO_4(also belonging to the metal phosphate family)has been rarely used to make supported catalysts.It would be interesting to develop CePO_4-supported catalysts and explore their catalytic applications.Herein,hexagonal CePO_4 nanorods(denoted as CePO_4-H),hexagonal CePO_4 nanowires(CePO_4-HNW),monoclinic CePO_4 nanoparticles(CePO_4-M),and monoclinic CePO_4 nanowires(CePO_4-MNW)prepared by different methods were used to support gold via deposition-precipitation with urea(DPU).The gold contents of these catalysts were all around 1 wt%.The catalytic activities of these Au/CePO_4 catalysts in CO oxidation were found to follow the sequence of Au/CePO_4-MNW>Au/CePO_4-HNW> Au/CePO_4-M>Au/CePO_4-H.These catalysts were characterized by inductively coupled plasma-optical emission spectroscopy(ICP-OES),N_2 adsorption–desorption,X-ray diffraction(XRD),transmission electron microscopy(TEM),X-ray photoelectron spectroscopy(XPS),oxygen temperature-programmed desorption(O_2-TPD),and CO_2 temperature-programmed desorption(CO_2-TPD)to find possible correlations between the physicochemical properties and catalytic activities of these catalysts.

Topological Aspect and Bifurcation of Disclination Lines in Two—Dimensional Liquid Crystals

Using φ-mapping method and topological current theory, the topological structure and bifurcation ofdisclination lines in two-dimensional liquid crystals are studied. By introducing the strength density and the topologicalcurrent of many disclination lines, the total disclination strength is topologically quantized by the Hopf indices andBrouwer degrees at the singularities of the director field when the Jacobian determinant of director field does not vanish.When the Jacobian determinant vanishes, the origin, annihilation and bifurcation processes of disclination lines arestudied in the neighborhoods of the limit points and bifurcation points, respectively. The branch solutions at the limitpoint and the different directions of all branch curves at the bifurcation point are calculated with the conservation lawof the topological quantum numbers. It is pointed out that a disclination line with a higher strength is unstable and itwill evolve to the lower strength state through the bifurcation process.

Signatures for Coexistence of Monoclinic and Hexagonal Phases in GaTe Nanoflakes

The burgeoning two-dimensional(2D)layered materials provide a powerful strategy to realize efficient light-emitting devices.Among them,gallium telluride(Ga Te)nanoflakes,showing strong photoluminescence(PL)emission from multilayer to bulk crystal,relax the stringent fabrication requirements of nanodevices.However,detailed knowledge on the optical properties of Ga Te varies as layer thickness is still missing.Here we perform thickness-dependent PL and Raman spectra,as well as temperature-dependent PL spectra of Ga Te nanoflakes.Spectral analysis reveals a spectroscopic signature for the coexistence of both the monoclinic and hexagonal phases in Ga Te nanoflakes.To understand the experimental results,we propose a crystal structure where the hexagonal phase is on the top and bottom of nanoflakes while the monoclinic phase is in the middle of the nanoflakes.On the basis of temperature-dependent PL spectra,the optical gap of the hexagonal phase is determined to be 1.849 eV,which can only survive under temperature higher than 200 K with the increasing phonon population.Furthermore,the strength of exciton-phonon interaction of the hexagonal phase is estimated to be 1.24 me V/K.Our results prove the coexistence of dual crystalline phases in multilayer Ga Te nanoflakes,which may provoke further exploration of phase transformation in Ga Te materials,as well as new applications in 2D light-emitting diodes and heterostructure-based optoelectronics.

Delft Molecular Mechanics Study on the Structures of Monoclinic MF Iand H[ Al] ZSM-5

Delft molecular mechanics minimization has been performed for the study on the structures of monoclinic MFI and H[Al]ZSM 5. The results were compared with those from quantum chemistry and other force field calculations. For the minimization of H[Al]ZSM 5, significant geometric rearrangements have been investigated in the local environments of Brnsted acidic sites, which resulted from the isomorphous substitution of Al for Si atoms in MFI framework.