N掺杂SnO2材料光电性质的第一性原理研究

采用全电势线性缀加平面波(full potential linearized augmented plane wave method,简记为FP-LAPW)方法,基于密度泛函理论第一性原理计算分析N掺杂SnO₂材料,研究了在N替代O原子和N替代Sn原子情况下的电子态密度、电荷密度分布以及光学性质.研究表明N掺杂替代Sn较之N掺杂替代O原子的带隙要宽,都宽于SnO₂的本征带隙,且两种情况下N分别处于负氧化态和正氧化态,其介电函数谱也与带隙对应发生蓝移,从理论上指出     

Structural, electronic and optical properties of orthorhombic distorted perovskite TbMnO3

This paper calculates the structural parameters, electronic and optical properties of orthorhombic distorted perovskite-type TbMnO₃ by first principles using density functional theory within the generalised gradient approximation. The calculated equilibrium lattice constants are in a reasonable agreement with theoretical and experimental data. The energy band structure, density of states and partial density of states of elements are obtained. Band structures show that TbMnO₃ is an indirect band gap between the O 2p states and Mn 3d states, and the band gap is of 0.48 eV agreeing with experimental result. Furthermore, the optical properties, including the dielectric function, absorption coefficient, optical reflectivity, refractive index and energy loss spectrum are calculated and analysed, showing that the TbMnO₃ is a promising dielectric material.     

Structural, curvature and electronic properties of Rh adsorption on armchair single-walled carbon nanotube

This paper systematically studies the rolling effects of the (n, n) single-wall carbon nanotubes (SWCNT) with different curvatures on Rh adsorption behaviours by using density functional theory. The outside charge densities of SWCNTs are found to be higher than those inside, and the differences decrease with the increase of the tube radius. This electronic property led to the discovery that the outside adsorption energies are higher than the inside ones, and that the differences are reduced with the increase of the tube radius. Partial density of states and charge density difference indicate that these strong interactions induce electron transfer between Rh atoms and SWCNTs.     

行星际等离子区对火星探测器距离观测量的影响

根据Muhleman和Anderson在1981年给出的行星际空间等离子体密度模型,模拟计算了行星际等离子区对8GHz电波的距离延迟与太阳-地球-航天器夹角(SEP)和光路径长度(L)的关系。结果显示,在本文的模拟条件下,距离延迟随SEP和L从几毫米变化到几十米。最后,分别仿真了一条地火转移轨道和环火星轨道,计算了两种情况下行星际等离子区延迟对测站到航天器距离观测量的影响。     

纳米生态基在凡纳滨对虾养殖中的应用研究

研究了凡纳滨对虾集约化养殖池塘中挂设不同密度的纳米生态基对养殖水质及对虾生长的影响。试验共使用12口养殖池,生态基的挂设密度分别为0.029,0.043和0.058 m2/m3水体,以不挂设纳米生态基的养殖池为对照。结果表明,挂设纳米生态基能明显降低养殖水体的氨氮、亚硝氮和COD含量,挂设生态基处理组池塘水体中氨氮与对照组之间差异显著(P0.05),亚硝氮在试验第7 d后差异显著(P0.05);纳米生态基能较好的稳定池塘水体的DO水平,增氧时DO增加速度与挂设生态基的密度成正比,增氧关闭时DO减小速度与挂设生态基的密度成反比;生态基能提高凡纳滨对虾产量并有效降低其饵料系数,对虾产量分别比对照组高出0.8%,15.3%,3.2%,饵料系数分别降低17%,40%,26%。当对虾放苗密度为150尾/m2时,在本研究设计的梯度范围内,生态基的最佳挂设密度为0.043 m2/m3水体。     

基于网络时空核密度的交通事故多发点鉴别方法

交通事故多发点是道路交通安全管理的重要治理对象,如何利用空间统计方法对其进行高效鉴别是研究热点。以华东某地为研究区域,以2013~2015年该研究区域的道路交通事故数据为研究对象,以时空道路网络为视角,通过路网匹配和路网裁剪形成事故时空子路段,提出一种基于交通事故场景的网络时空核密度估计值作为鉴别指标,用累计频率法和零膨胀的负二项回归模型确定鉴别阈值的事故多发点鉴别方法。     

重力数据约束的二维地震层析成像在台湾海峡南部的应用

地震-重力联合反演可以降低多解性,针对大勘探范围内岩石波速-密度关系存在较大散布的问题,引入交叉梯度结构约束构建统一的目标函数是一种有效的解决方案。利用台湾海峡南部HX-13测线进行验证:由于火成岩侵入体的存在,部分区域难以拾取可靠的地震初至,常规的走时反演无法准确恢复基底面的形态。搜集研究区的船测重力资料,根据地震地质条件和数据特点设置合适的反演参数,实现基于物性和结构双重约束的重力-地震联合反演。由对反演结果的分析和解释可以看出,该方法可在很大程度上弥补地震数据不完备的缺陷,使反演过程稳定,并提高模型的可靠性。     

Distribution patterns of interstitial polychaetes in sandy beaches of southern Brazil

This study describes the distribution patterns of interstitial polychaetes along morphodynamic gradients on six exposed sandy beaches in Santa Catarina and Paraná (South Brazil). Three random transects were sampled at two points on each beach, one at the swash and another at the surf zone, in winter and summer conditions. Six sediment replicates were collected at each sampling point using a corer of 4.6 cm internal diameter that removed 10 cm into the sediment. Abundance and composition of interstitial polychaete were correlated to wave height, slope, grain size, CaCO₃, chlorophyll a , omega indexes, temperature and relative tide range using a canonical correspondence analysis (CCA). A factorial ANOVA showed that taxa richness, mean density and Shannon's diversity were significantly higher at the reflective beaches, but average values differ significantly between transects and these differences change according to the beach zones on both sampling dates. PERMANOVA showed that polychaete associations differ among transects according to the beach zones. The composition of interstitial polychaete associations was significantly correlated to beach morphodynamics and features (P < 0.01). Polychaete associations of reflective beaches were more diverse than in other morphodynamic states. Intermediate beaches may also sustain diverse associations due to temporal variability of the morphodynamic patterns. Beaches presenting extreme dissipative morphodynamics and compacted sediments appear to be unfavourable for the occurrence of interstitial polychaetes.     

南海北部海区软骨鱼类种类组成和资源密度分布

根据2006～2007年南海北部海区4季的调查资料,分析该海区软骨鱼类的种类组成和资源密度的分布．结果表明,软骨鱼类有32种,分隶于9目17科,优势种为斑鳐、曾氏兔银鲛、褐黄扁缸、橙黄鲨;渔获率D断面最高（10．19kg／h）,B断面最低（4．52kg／h）;渔获率有明显的季节变动,夏季最高（12．16kg／h）,秋季最低（3．71kg／h）,平均渔获率为7．05kg／h;密集分布于180m和140m水深处;其年均资源密度为94．00kg／km^2．文中并讨论合理利用和保护该类群的措施．     

1932年以来北京主城区土地利用空间扩张特征与机制分析

基于历史地图、地形图和遥感影像提取1932年以来,北京主城区城市空间扩张,以及建筑密度空间信息。从城市土地利用扩张特征、建筑密度变化特征以及驱动机制三个方面分析北京城市土地利用扩张过程。研究表明:1984年前,北京城市呈现缓慢增长趋势。1984-1992年在市场经济驱动下,北京进入了第一次大规模快速的扩张阶段。1992-2000年间,由于我国出台了最为严格的耕地保护政策,这一时段城市空间扩张有所放缓。2000-2007年受北京城市建设规划、2008年奥运会场馆建设的影响,北京城市进入了有史以来,最快的扩张阶段。北京城市呈现单中心低密度蔓延,1982年前,城市扩张形态以相对较高的建筑密度紧凑扩张模式为主,1982年以来,呈现严重的低密度蔓延态势,特别是2000-2007年城市在5-6环之间"摊大饼"式与"遍地开花"式低密度蔓延问题更为突出。北京城市空间扩张是重大事件与人口、社会经济等因素共同驱动的结果。而且重大事件驱动对于长时间序列城市空间扩张作用更为突出。