团簇Co3FeP异构化反应的热力学与动力学研究

为了寻找团簇Co₃FeP的稳定性、结构和内部作用力等规律，利用密度泛函理论，在B3LYP/Lanl2dz的量化水平下对团簇Co₃FeP进行理论计算，得到5种优化构型，并从化学反应热力学与动力学的角度对其异构化反应中的反应物、过渡态和生成物进行了讨论分析。结果表明，所有构型均为C1对称且构型的空间结构对其熵值有影响；构型的稳定性主要由金属原子与非金属原子所决定，并且在常温常压下构型1^（3）、2^（3）和3^（3）可以稳定存在，是大部分异构化反应的最终产物。因此，在实际材料的开发中，不仅需要注意金属原子与非金属原子之间的作用力以确保构型的稳定性，还应首先考虑对稳定构型1^（3）、2^（3）和3^（3）进行相关研究。     

(3+1)维Boussinesq方程的可积性及新相互作用解

借助符号计算软件Maple证明了新的(3+1)维Boussinesq方程具有相容正切可积性,通过选取该方程的相容性条件方程的不同形式的解,得到了新的(3+1)维Boussinesq方程的孤子与其他波的相互作用解,如简单孤子解、孤子与椭圆余弦波作用解和共振孤子解,并给出了孤子与椭圆余弦波作用解和共振孤子解所对应的图形。     

毛竹及其变种叶片化学计量与养分重吸收效率

【目的】评价毛竹(Phyllostachys edulis)及其变种叶片养分重吸收效率,旨在揭示主要养分元素的生态适应机制,以期为毛竹及其变种的可持续经营提供科学依据。【方法】以毛竹及其变种[黄槽毛竹(P. edulis cv. Luteosulcata)、花毛竹(P. edulis cv. Tao Kiang)、厚壁毛竹(P. edulis cv. Pachyloen)、金丝毛竹(P. edulis cv. Gracilis)]为研究对象,分析不同竹龄(1、3、5 a)叶片化学计量特征与养分重吸收效率。【结果】毛竹及其变种C、N 含量差异较小,P含量波动性较大。不同竹种相同竹龄立竹间成熟叶和凋落叶C、N、P含量差异性较大,1年生竹种叶片养分含量较高,随着竹龄增加,竹种适应能力逐渐下降。毛竹及其变种相同年龄立竹间、同一变种不同年龄立竹间叶片化学计量比存在一定差异性。1、3、5年生花毛竹叶片N、P重吸收效率较高,年龄对除厚壁毛竹外的其他毛竹及其变种叶片N重吸收效率影响呈现先升后降趋势,而不同年龄毛竹及其变种叶片P重吸收效率波动性较大。【结论】研究区毛竹及其变种生长受P元素的限制,毛竹及其变种随竹龄的增加适应能力有所变化,花毛竹适应性较强,厚壁毛竹则对土壤的依赖性较大。     

淀山湖水质及与环湖稻田农业面源污染的关系

对淀山湖主要进水和出水口水质进行年度定点监测; 同时, 布置田间试验, 研究不同施肥稻田田面水养分含量动态. 结果表明:淀山湖进出水口水体氨氮和总磷年平均质量浓度分别为 0.47 和 0.13 mg/L, 基本处于 Ⅴ 类水质标准; 进水口水质略劣于出水口, 不同进水口的水质也有很大差异. 进一步研究发现, 淀山湖水质的年度变化与稻田田面水养分的动态变化有密切的相关性, 表明农业面源污染对淀山湖水环境具有显著影响. 在环湖地区, 减少和控制农业面源, 是进一步改善淀山湖水环境质量的关键.     

Self-rolled TiO_2 microscroll/graphene composite for electrochemical dopamine sensing

Dopamine is an important neurotransmitter,and nonenzyme electrochemical sensor of dopamine detection based on highly active material is urgently demanded.In this work,an electrochemical sensor with high sensitivity and selectivity based on self-rolled TiO_2microscroll/graphene composite was developed and validated for dopamine sensing.The device exhibited a superior performance for dopamine detection with a detection limit of 4.25×10~(-9)mol L~(-1),and in the dopamine concentration range of 0.06–90μmol L~(-1),the oxidation currents increased linearly with the concentration.The remarkable performance enhancement was mainly ascribed to the increased surface area due to the porous surface of the TiO_2nanomembrane and highly conductive graphene therein.In addition,we have demonstrated that the sensor could be effectively used on detecting dopamine concentrations in urine samples.Our work demonstrates that the current microscroll-based device is promising in the field of real-time health monitoring for future human community.     

Effect of Al on microstructure and mechanical properties of as-extruded Mg–1Mn alloy sheet

The effect of Al addition on microstructure and mechanical properties of hot extruded Mg–1 Mn alloy sheet was investigated. The results revealed that the dynamic recrystallization was promoted by increasing Al content. The ultimate tensile strength and yield strength of the alloy increased with the increase of Al content. The Mg–9 Al–1 Mn alloy exhibited the highest strength, with tensile strength of 308 MPa, 307 MPa, 319 MPa, yield strength of 199 MPa, 207 MPa, 220 MPa and the elongation of 20.9%, 20.1%, 19.2% in 0°, 45°, 90°, respectively.The high strength was mainly attributed to the formation of fine dynamically recrystallized grains and large amounts of the second phase. The strengthening mechanism of the alloys was explained.     

Microstructure,mechanical properties and wear resistance of an Al–Mg–Si alloy produced by equal channel angular pressing

Microstructure, mechanical properties and wear resistance in an ultrafine-grained Al–Mg–Si alloy fabricated utilizing a combination of equal channel angular pressing (ECAP) and dynamic aging were investigated in this paper. The results indicated that the grain size of the ECAP alloy was significantly refined, i.e., to ~239 nm after three ECAP passes. Meanwhile, the yield and tensile strength of the ECAPed material reached 340 MPa and 445 MPa, respectively, while maintaining a significant uniform elongation of 14%. Wear resistance results demonstrated that the wear rate, wear depth and width of the ECAPed material decreased in comparison with the solution-treated (SST) and peak-aged (T6) conditions under a load range of 5–25 N. The adhesive wear that occurs in the undeformed specimens at 10 N does not appear in the ECAPed specimen at the same load, indicating that the ECAPed specimen delay the appearance of more serious wear mechanisms under certain loads. The cooperative interaction of high density nano-scale β" precipitates and dislocations resulted in a combination of super-high strength and good work hardening ability which suppressed the extension of cracks between the friction layer and the plastic deformation zone. As a consequence, the combination of ECAP and dynamic aging brings a significant improvement for antifriction performance of the 6061 aluminum alloy.     

一种HEVC样点自适应补偿快速算法

为解决高性能视频编码标准H.265/HEVC中引入的样点自适应补偿技术的计算复杂度极高导致严重影响编码效率的问题,提出一种HEVC样点自适应补偿快速算法.首先根据编码单元(coding unit, CU)的划分深度确定亮度树形编码块(coding tree block, CTB)中需要提取边缘方向的区域,然后利用边缘方向提取算法获得亮度CTB的边缘方向列表,并根据此列表减少亮度CTB在模式判别过程中遍历的模式数量,最后利用亮度和色度CTB之间的相关性进一步简化色度CTB的模式判别过程.实验结果表明,在性能损失较小的情况下,本算法可以在全I帧(AI)、随机访问(RA)、低延时B帧(LB)、低延时P帧(LP)四种配置下分别节省31.75%、 56.85%、 52.81%、 51.51%的样点自适应补偿编码时间.     

La$_{{1-x}}$Sr$_{x}$TiO$_{3}$ 薄膜的高通量 X 射线衍射

高通量材料合成方法和高通量材料表征手段区别于传统低效率的 "试错法"材料发展方法, 极大地加速了材料科学的变革和发展. 通过设计程序进行了高通量 X 射线衍射实验, 在保证数据分辨率条件下, 高效地表征了 La$_{1-x}$Sr$_{x}$TiO$_{3}$ 薄膜上多个数据位点的晶体结构, 验证了其成分的连续变化性质, 为后续开展更多类型的高通量 X 射线衍射实验提供了指导.     

基于三维点云的岩体结构面自动分类与参数计算

结构面间距是岩体稳定性和力学特性分析中的一个重要参数，在岩石力学、采矿工程、边坡监测等领域的数值计算中广泛应用.本文以岩体边坡露头为研究对象，基于非接触测量获得的三维点云数据，提出一种基于密度聚类的结构面细化分类方法；在结构面粗略分组提取的基础上，通过投影变换、散乱点拟合等算法，求得结构面间距和岩体体积节理数.设计开发了结构面细化分类及间距等参数计算与分析原型系统，实际案例分析表明，本文方法可有效实现结构面的自动细化分类，并能够计算出间距等相关参数，可为岩体质量分级和岩体稳定性分析等提供方法支撑.