Investigation of optoelectronic properties of pure and Co substituted α-Al_2O_3 by Hubbard and modified Becke–Johnson exchange potentials

Advanced GGA ＋ U（Hubbard） and modified Becke–Johnson（mBJ） techniques are used for the calculation of the structural, electronic, and optical parameters of α-Al2-x CoxO3（x = 0.0, 0.167） compounds. The direct band gaps calculated by GGA and m BJ for pure alumina are 6.3 eV and 8.5 eV, respectively. The m BJ approximation provides results very close to the experimental one（8.7 eV）. The substitution of Al with Co reduces the band gap of alumina. The wide and direct band gap of the doped alumina predicts that it can efficiently be used in optoelectronic devices. The optical properties of the compounds like dielectric functions and energy loss function are also calculated. The rhombohedral structure of theα-Al2-x CoxO3（x = 0.0, 0.167） compounds reveal the birefringence properties.

Effects of exchange interaction and spin-fluctuation on the magnetic and magneto-optic properties of NdF_3

The exchange interaction between the electrons in the different magnetic ions and the spin-fluctuation of the magnetic ions exist in the paramagnetic media NdF3. The exchange interaction between the electrons in the different magnetic ions may be equivalent to an effective field Hin that is in direct proportion to the magnetization M. The spin-fluctuation of the magnetic ions leads the coefficient of the effective field to vary with temperature. The effective field is given as Hin = -（0.75 ＋ 0.22T） × 10^-5M in NdF3. When the secondary crystal field effect is taken into account, the magnetic susceptibility and Verdet constant are calculated for NdF3 by means of the effective field Hin and the applied field He. The calculated results are in agreement with the measured ones.

Chemical Oxidation Effects on Anion Exchange and Nitrate Sorption Capacity of Biochar for Ruminal Methanogenesis Inhibition

The chemical composition of biochar is determined by the chemical profile of the material the by-product is made of and the pyrolysis conditions. Analysis of commercial biochar detected similarities to the chemical profile of hardwood, which was used as an object of pyrolysis for biochar production and showed the presence of bridge-forming cations, such as manganese, iron, and sodium. Despite frequently being reported in existing literature, the current study showed that the redox potential of biochar is not associated with biochar’s ability to recover certain anions. No association was detected between biochar’s redox potential and the material nitrate sorption capacity. In fact, higher redox potential values were associated with lower nitrate absorption. In the case of the anion exchange capacity of biochar, a direct association between this electrochemical property of the by-product and its redox potential was observed. However, redox potential’s impact on anion exchange capacity can be inhibited by the presence of organic compounds in biochar’s chemical profile. The chemical oxidation of biochar is a complex process and is a research priority for a potential role to mitigate enteric methanogenesis in livestock.

Tribological Properties of Magnesium Ion-exchanged α-Zirconium Phosphate as a Solid Lubricant Additive in Lithium Grease

Magnesium ion-exchanged a-zirconium phosphates(Mg-α-ZrP) with particle sizes of 600 and 80 nm were prepared through the sealed ion-exchange and one-step hydrothermal synthesis methods, respectively. It was found that larger particles of Mg-α-ZrP had a higher load-carrying capacity than that of smaller particles, whereas smaller Mg-α-ZrP particles had better anti-wear properties than that of larger Mg-α-ZrP particles under mild loads. The correlation between the particle size of the sample and the surface roughness of the friction pair thus seems to be a key factor influencing the performance.

STUDY ON THE PHYSICAL CHEMICALPROPERTIES OF FFA-1 ION EXCHANGE FIBER

The physical and chemical properties of FFA-1 ion exchange fiber have beencharacterized with IR spectrum. thermal analysis and SEM means. The PH titrationcurve, swelling rate, mechanical properties, resistance drop of filter layer as well asthe dynamic adsorption for SO2 was determined These experiments provided theessential parameters for the practical application of FFA-1 material in adsorption oftoxic gases.

Multiferroic properties and exchange bias in Bi_(1-x)Sr_xFeO_3(x=0–0.6) ceramics

Multiferroic properties and exchange bias （EB） in Bi1-xSrxFeO3 （x = 0-0.6） ceramics synthesized by a modified Pechini method are investigated. Sr concentration dependence of structure distorting, ferroelectric properties, and dielectric properties were studied at room temperature. Appropriate Sr doping （x = 0.05-0.2） has been found to decrease the conductivity, enhance ferroelectric properties and give rise to high dielectric constant. Compared with antiferromagnetic BiFeO3 compound, BSFO-x （O≤x ≤0.4） ceramics show weak ferromagnetism at room temperature, and their exchange bias field and vertical magnetization shift are observed and exhibit a strong dependence on the content of Sr. This observed EB effect which keeps stable in BSFO ceramics at 10 K tend to vanish at room temperature with Sr concentration over 0.4.

Magnetic properties of soft layer/FePt-MgO exchange coupled composite perpendicular recording media

The magnetic properties of exchange coupled composite （ECC） media that are composed of perpendicular magnetic recording media FePt MgO and two kinds of soft layers have been studied by using an x-ray diffractometer, a polar Kerr magneto-optical system （PMOKE） and a vibrating sample magnetometer （VSM）. The results show that ECC media can reduce the coercivities of perpendicular magnetic recording media FePt-MgO. The ECC media with granular-type soft layers have weaker exchange couplings between magnetic grains and the magnetization process, for ECC media of this kind mainly follow the Stoner Wohlfarth model.

Investigation on Magnetic Properties of Exchange Coupled Transition Metal Complexes Ⅱ．Theoretical Model for Trinuclear Complexes

Theories based on the isotropic Heisenberg model have been adjusted to the study of magnetic properties in exchange coupled unsymmetrical trinuclear complexes.Program for theoretical fitting of the variable-temperature magnetic susceptibility has been set up to produce coupling constants and spin states of the magnetic centers.Calculation has been carried out on a series of Co(Ⅱ)complexes containing mixed thiolato and phosphine ligands:Co3(mp)2(mpH)2(PR3)3(R=Et,R=Bu) and Co3(bdt)3 (PBu3)3.It has been found that all these studied complexes are anti-ferromagnetically coupled.Coupling constant shows the strength of the exchange interaction,which is determined by many factors.Relation between the spin state and the coordination circumstance of Co(Ⅱ) was discussed too.

Exchange couplings in magnetic films

Recent advances in the study of exchange couplings in magnetic films are introduced.To provide a comprehensive understanding of exchange coupling,we have designed different bilayers,trilayers and multilayers,such as anisotropic hard/soft-magnetic multilayer films,ferromagnetic/antiferromagnetic/ferromagnetic trilayers,[Pt/Co]/NiFe/NiO heterostructures,Co/NiO and Co/NiO/Fe trilayers on an anodic aluminum oxide（AAO） template.The exchange-coupling interaction between soft-and hard-magnetic phases,interlayer and interfacial exchange couplings and magnetic and magnetotransport properties in these magnetic films have been investigated in detail by adjusting the magnetic anisotropy of ferromagnetic layers and by changing the thickness of the spacer layer,ferromagnetic layer,and antiferromagnetic layer.Some particular physical phenomena have been observed and explained.

Characterizing the Exchange Interaction of Sm-Co/Co(and Fe_(65)Co_(35))Magnetic Films

Exchange interaction plays an important role on magnetic properties of nanocomposite magnets consisting of hard- and soft-magnetic phases. Here the exchange interaction in the Sm-Co/Co （and Fe65Co35） magnetic films was characterized by measuring static （mr（H）） and demagnetized （md（H）） remanence curves. According to conventional method： δm（H）=md（H） - [1 - 2mr（H）], the exchange interaction was evaluated. The switching fields H′p and Hp, at which static （mr（H）） and demagnetized （md（H）） remanence show the fastest change, were identified. The relative ratio η=Hp-H′p/Hp of switching fields H′p and Hp has a linear relationship with the maximum value δmmax of δm（H） curves, proposing an alternative way to characterize the exchange interaction.

Effects of Functionalized Silica Nanoparticles on Characteristics of Nanocomposites PES Cation Exchange Membranes

Nanocomposite cation exchange membranes（CEMs） were prepared by adding various loadings of functionalized silica nanoparticles to the sulfonated polyethersulfone（s PES） polymeric matrix. The silica nanoparticles were functionalized by mercaptopropyl（F1, IEC=0）, propylsulfonic acid（F2, IEC= 2.71）, and sulfonic acid（F3, IEC=2.84）. The properties of prepared membranes were investigated by varying the loadings of functionalized silica nanoparticles. Applying functionalized nanoparticles provides additional ion exchange groups and enhances water contents as well as conductivities and permselectivities of the membranes. The maximum IEC of 1.9 meq.g^-1 was obtained for the membrane having 3 wt% F3 nanoparticles and the maximum conductivity of 0.237 S·cm^-1 was achieved for the membrane having 2 wt% F3 nanoparticles, which were 19.6% and 64% higher than the corresponding values for s PES membrane, respectively. The excellent properties of the nanocomposite cation-exchange membranes make them appropriate candidates for electrodialysis and desalination processes.

Physical origin of decrease in exchange coupling in Ga^+ ion irradiated CoFe/IrMn films

The physical properties of a CoFe/IrMn exchange-coupled bilayer submitted to 30keV Ga+ ion irradiation in a focused ion beam machine as a function of irradiation dose were studied by using various imaging and analy- tical techniques including high resolution TEM and spectrum imaging based on electron energy loss spectroscopy to better understand why the magnetic properties can be modified. When the ion dose increases the irradiation initially induces grain growth and subsequently element mixing and amorphisation, which can be largely accounted for by a simple ballistic recoil mechanism model. The modification of the microstructure and the interfacial mixing of atoms between the various layers results in the continuous reduction in the exchange field and the coercivity of IrMn/CoFe bilayers.

The Pursuit of Fallacy in Density Functional Theory: The Quest for Exchange and Correlation, the Rigorous Treatment of Exchange in the Kohn-Sham Formalism and the Continuing Search for Correlation

As pointed out in the paper preceding this one, in the case of functionals whose independent variable must obey conditions of integral normalization, conventional functional differentiation, defined in terms of an arbitrary test function, is generally inapplicable and functional derivatives with respect to the density must be evaluated through the alternative and widely used limiting procedure based on the Dirac delta function. This leads to the determination of the rate of change of the dependent variable with respect to its independent variable at each isolated pair, , that may not be part of a functional (a set of ordered pairs). This extends the concept of functional derivative to expectation values of operators with respect to wave functions leading to a density even if the wave functions (and expectation values) do not form functionals. This new formulation of functional differentiation forms the basis for the study of the mathematical integrity of a number of concepts in density functional theory (DFT) such as the existence of a universal functional of the density, of orbital-free density functional theory, the derivative discontinuity of the exchange and correlation functional and the extension of DFT to open systems characterized by densities with fractional normalization. It is shown that no universal functional exists but, rather, a universal process based only on the density and independent of the possible existence of a potential, leads to unique functionals of the density determined through the minimization procedure of the constrained search. The mathematical integrity of two methodologies proposed for the treatment of the Coulomb interaction, the self-interaction free method and the optimized effective potential method is examined and the methodologies are compared in terms of numerical calculations. As emerges from this analysis, the optimized effective potential method is found to be numerically approximate but formally invalid, contrary to the rigorously exact results of the self-interaction-free method.

Simulation of Gas-Liquid Mixture Movement through a Pipeline on the Seabed, Taking into Account the Heat Exchange Process

In the paper, a dynamical model of gas-liquid mixture motion through a pipeline with regard to change of rheological properties that occur as a result of heat-exchange process, is constructed, and the solutions of the obtained connected differential equations are given. Analytic expression allowing to determine pressure change along the length of a pipeline, is obtained.

乙酰乙酸纤维素膜的手性传输性质研究

选用价格较低且易得的微晶纤维素作为实验原料,用酯交换法与乙酰乙酸叔丁酯反应,通过控制反应时间制备不同取代度的乙酰乙酸纤维素(CAA),并利用溶剂挥发法制得CAA膜.通过^(1)H NMR、FTIR、SEM和TGA等测试CAA膜的化学结构、形貌和热稳定性.使用渗析器测试CAA膜对D,L-色氨酸的渗透拆分性质,利用二元高压梯度高效液相色谱测试渗透液中D-色氨酸和L-色氨酸的浓度.针对手性传输性质,研究了不同取代度的CAA膜对D,L-色氨酸的拆分机理.研究发现,低取代度的CAA膜有更好的手性拆分性能,而高取代度的CAA膜由于接触水溶液后自由体积增大,色氨酸容易通过渗透过膜,分离性能降低.经过对CAA膜对D-色氨酸和L-色氨酸的渗透、分配和扩散系数的分析可知,高取代度的CAA膜的手性拆分性能主要是由扩散控制.其中低取代度(DS=0.57)的CAA膜的对映体过量百分比在6 h内保持100%,超过6 h略微下降,之后趋于稳定.本研究通过简单的调控CAA的取代度制备了具有一定拆分性能的手性分离膜,为手性分离膜的设计提供了思路.

不同偏角变径流道质子交换膜燃料电池性能仿真分析

为了研究变径区域的不同偏角下质子交换膜燃料电池(PEMFC)的性能,基于ANSYS Fluent软件对不同偏角下的电池流道中气体流速、质量分数、压强以及水含量进行了仿真模拟,分析结果表明:在不同偏角下流道流速主要在6~7 m/s之间,流速点占比相对较大对应的偏角为50°,相对较小的对应偏角为75°;相对较大流速对应的偏角为75°和60°,随着偏角的增加,阳极氢气绝对压强曲线线性增加速率相对较大的对应偏角为70°和75°,相对较小的对应的偏角为40°;阴极氧气绝对压强曲线相对较大的对应的偏角为60°,相对较小的对应的偏角为40°;在出口处流道水质量分数相对较大的对应偏角为40°、70°和75°,而相对较小的对应角度为60°。综合考虑分析可以得出,电池效率相对较好的适宜偏角为60°。

不同刈割强度对晋北赖草草地生态系统CO_(2)交换的影响

刈割是草地的主要利用方式,合理的刈割强度对维持草地生态系统碳平衡具有重要意义。本研究以山西省右玉县赖草(Leymus secalinus)草地生态系统为研究对象,动态监测2021年生长季不刈割、轻度刈割、中度刈割和重度刈割对草地生态系统净碳交换(Net ecosystem carbon exchange,NEE)、生态系统呼吸(Ecosystem respiration,ER)和生态系统总初级生产力(Gross ecosystem productivity,GEP)的影响,探究草地生态系统CO_(2)交换对不同刈割强度的响应。实验结果显示,刈割显著影响GEP,主要是由于GEP在中度刈割处理下较不刈割和重度刈割分别提高了21.4%和21.5%,NEE在中度刈割处理下较轻度刈割和重度刈割分别显著降低了54.4%和53.6%,但刈割对ER影响不显著。在不同刈割强度下,土壤温度和土壤无机氮含量是影响生态系统CO_(2)交换的重要因子。本研究结果表明中度刈割可以促进碳吸收而重度刈割会导致生态系统由碳汇转变为碳源,因此中度刈割为晋北赖草草地最适刈割强度。

潜热储能系统热力特性研究及应用分析

研究搭建了一小试规模的潜热储能系统,能对200~300℃的热量进行存储、释放,通过不同方式表征所使用相变材料的物理性质,研究其与应用场景的匹配性,同时分析所设计系统循环过程中的参数变化,研究系统热力特性。试验结果表明:所用二元硝酸盐能够稳定的储存温度200~290℃的余热,所使用的带螺旋型翅片换热管的潜热储能系统具有较高的热效率,试验台储热耗时51.75 min,完成47.809 MJ的能量储存,放热耗时43.5 min,释放出46.209 MJ能量,系统的储热效率为79.16%,放热效率为79.15%。在系统的循环过程中,系统累计输入能量60.398 MJ,输出能量36.578 MJ,循环效率为60.56%。

磺化热压PE无纺布的性能研究

利用磺化反应及热压处理,化学改性聚乙烯(PE)无纺布的亲水性和离子交换能力,讨论了时间、温度、热压压力等不同反应条件对材料力学性能的影响,使用显微镜(SEM)对磺化前后PE无纺布的外表状态进行观察,磺化后无纺布表面磺化效果有效提高.实验结果表明,PE无纺布的亲水性和离子交换水平在反应温度为85℃,热压压力为8 MPa,反应时间为2 h的磺化反应条件下,不仅PE无纺布的亲水性和离子交换能力得到了显著的改善,而且拉伸性能和耐腐蚀性能得到了较好保留.

虚拟财产和有价凭证的刑法保护路径比较及展开

财产犯罪保护对象随着社会发展在不断扩大,应当包括有形财产、无形财产和财产性利益。虚拟财产具有数据和财产的复合属性,刑法上的保护还缺乏统一认识。非法获取计算机信息系统数据罪重在保护公法益,单以此类罪名来规制侵害虚拟财产的行为,仅考虑了虚拟财产的数据属性,未正视其财产法益受到的现实侵害。虚拟财产和有价凭证在载体依附性、权益多样性和财产价值性方面具有基本的等同性。从外在形式看,虚拟财产载体电子化带来数据、身份等多种权益的保护需要,可根据具体情形适用相应罪名。从内含价值看,仅中心化管理的虚拟财产具有原始权益。但从刑法实质看,无论是否中心化管理,如果虚拟财产客观上存在交换价值,则具有财产性利益。虚拟财产可以成为财产犯罪的对象,实务中可类比有价凭证,从而对侵害虚拟财产的行为予以刑法规制。