基于双层辉光离子渗金属的离子轰击金属靶材的计算机模拟

轰击离子的产生、输运以及离子对靶材的溅射过程是实现双层辉光等离子渗金属的重要一环。基于辉光放电的理论以及COMSOL Multiphysics软件对典型的双层辉光等离子渗金属装置进行了建模，分析了轰击离子的能量范围，结合经典散射理论和蒙特卡罗方法，使用SRIM软件详细地模拟了Ar⁺对金属靶材的溅射过程。结果表明：溅射原子的位置集中在金属靶材入射位置的附近，形成环状的溅射坑。溅射原子的能量集中在20 eV内，随着入射离子能量的增加，会出现一些高能量、大角度的溅射原子。溅射产额随着靶材原子d壳层电子填满程度的增加而增大，溅射产额主要来自低能反冲原子。溅射产额越大意味着低能反冲原子越多，能量传递越分散，溅射原子能量越低。     

掺铝氧化锌(AZO)薄膜制备及结合机理探索

利用射频磁控溅射法以ZnO:Al2O3陶瓷靶材为源在丙纶非织造布上制备了AZO薄膜.采用扫描电镜(SEM)分析溅射时间对薄膜微结构的影响.结合能谱分析仪(EDX)对薄膜成分进行分析表征.分析探讨了在丙纶非织造布上溅射沉积纳米薄膜与基材的结合机理.结果表明:随着溅射时间的延长,薄膜的均匀性致密性越来越好;溅射得到的纳米薄膜元素的特征峰明显,纯度高;薄膜与基材之问结合是物理、化学等多种力共同作用的结果.     

Zn1-xCoxO稀磁半导体的XAFS研究

利用XAFS技术研究溶胶-凝胶法制备的Zn1-xCoxO稀磁半导体材料结构随Co含量(x)的变化.结果表明在低含量的Co掺杂ZnO(x=0.02,0.05)时Co2 离子完全进入ZnO晶格中,替代了Zn2 离子,并且造成了Co2 离子周围局域结构的膨胀.当Co的含量x增加到0.10或更高时,只有一部分的Co2 离子进入晶格,剩余的Co2 和Co3 析出晶格形成Co3O4相.     

Zn_(1-x)Co_xO稀磁半导体的XAFS研究

利用XAFS技术研究溶胶-凝胶法制备的Zn1-xCoxO稀磁半导体材料结构随Co含量(x)的变化.结果表明在低含量的Co掺杂ZnO(x=0.02,0.05)时Co2 离子完全进入ZnO晶格中,替代了Zn2 离子,并且造成了Co2 离子周围局域结构的膨胀.当Co的含量x增加到0.10或更高时,只有一部分的Co2 离子进入晶格,剩余的Co2 和Co3 析出晶格形成Co3O4相.     

常压固相烧结法制备ZAO靶材及其性能的研究

采用常压固相烧结法,通过优化烧结工艺,制备出平整、组织均匀、致密的ZAO靶材.研究了掺杂含量、烧结温度对陶瓷靶材微观结构和性能的影响,并使用自制靶材,采用射频磁控溅射法镀膜.结果表明:Al2O3的掺杂没有破坏ZnO晶体结构,Al原子对Zn原子进行有效替位;晶粒尺寸随着掺杂量的增多而减小;靶材的电阻率随掺杂量的增加呈U型变化,在3wt%时取得最小值4.2×10-2Ω.cm;靶材致密度超过96%.使用该靶材生长的多晶ZAO薄膜具有(002)择优取向,结晶均匀,呈柱状生长,薄膜电阻率和可见光平均透射率可分别达到8×10-4Ω.cm～9×10-4Ω.cm和85%.图9,表1,参14.     

ZnO(0001)Zn极性面上不同单体生长动力学特性

通过第一性原理和密度泛函方法,计算了在富锌和富氧条件下形成的Zn原子、ZnO分子、Zn3O1和Zn1O3团簇等不同单体在ZnO(0001)Zn极性面上典型的纤锌矿和闪锌矿结构沉积位的系统总能及其扩散势垒和相互作用能.结果表明,Zn1O3和Zn3O1团簇以及Zn原子单体易于获得纤锌矿结构的ZnO,而ZnO分子的稳定性较弱且易于沉积于闪锌矿位；富锌条件形成的Zn3O1团簇单体或Zn原子单体,有利于在较低温度下获得均匀结构的晶体；Zn3O1团簇单体则会形成具有一定孔洞的单一相晶体,而Zn1O3单体易形成致密的晶体；以Zn原子、Zn1O1和Zn1O3团簇为单体的沉积更易于聚集,而ZnO分子则不利于成核.     

Zn_(0.93)Co_(0.07)O纳米薄膜材料的磁性机制研究

采用磁控溅射方法制备了氮掺杂的Zn0.93Co0.07O系列和Al掺杂的Zn0.93Co0.07O薄膜样品,系统研究了样品的结构、形貌及磁学性能,讨论了样品中铁磁性的产生机制.实验结果表明:所制备的薄膜样品均为单一的纤锌矿结构,没有检测到其他物相.薄膜的表面生长均匀,并观测到清晰的磁畴结构.磁性测量结果表明所有的样品均呈现室温铁磁性,样品的饱和磁化强度随着Al含量的增加而增加,随着氮含量的增加而降低.我们认为在Co掺杂的ZnO稀磁半导体中,铁磁性相互作用是通过电子作为载流子来传递的.     

Co掺杂ZnO薄膜退火前后的磁性研究

室温下采用磁控溅射的方法在Al2O3(0001)基片上制备了不同Co含量掺杂的ZnO稀磁半导体薄膜Zn1-xCoxO(x=3%,6%,8%),并进行了500℃的后期真空退火处理.采用X射线衍射仪(XRD)、紫外-可见分光光度计(UV-vis)和振动样品磁强计(VSM)研究了薄膜的结构、光学和磁学性能.结果表明,磁控溅射制备的ZnCoO薄膜中,Co2+离子占据了ZnO中Zn2+离子的位置,但没有改变ZnO的纤锌矿晶体结构,也没有第二杂质相的出现.退火前后薄膜均显示室温铁磁性且磁性大小随Co含量的变化呈相反趋势.磁性大小与晶面间距有一定的关系,分析后认为磁性机制符合束缚磁极子(BMP)模型.     

NiFe2O4铁氧体薄膜溅射产额的蒙特卡罗模拟

通过蒙特卡罗方法,运用SRIM程序,模拟了Ar+轰击NiFe2O4铁氧体靶材的过程,研究了不同入射能量及角度Ar+轰击NiFe2O4靶材引起的溅射产额。结果表明:离子垂直入射时NiFe2O4中各元素的溅射产额和出射原子能量都随入射离子能量的增大而增大;各元素产额的比率在低能离子入射时,变化较大,但能在较大的入射离子能量范围内保持相对稳定的值;离子斜入射时,随着入射离子角度增加,各元素的溅射产额先增大,后减小,并在77°左右达到最大值;离子入射角度变化时,并不严重影响各元素之间产额的比率,且组分比率能在较大的离子入射角度范围内保持相对稳定的值。     

合金靶材择优溅射的SRIM模拟研究

利用SRIM2013软件,分别模拟计算了3组合金靶材Fe-Cr、Cu-Ni和Au-Ag在氩离子入射时的溅射产额,根据计算结果得出3组合金均存在择优溅射现象,择优溅射与金属原子的表面结合能有关的结论。同时模拟了 Au-Ag合金的溅射产额随入射离子能量和合金成分的变化情况,并分析其择优溅射机制。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Jane Eyre——A Feminist In The 19th Century

In the 19th century the society was controlled by men, and women were just appendants of them, they had not any rights and freedom. But Jane was an exception, she showed some characteristics of early feminist. Jane showed her characteristics of feminism in three aspects: rebellion, equality, and independence. These characteristics were helpful to her success, and feminism is the only way out for women of that time.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

An affordable accurate evaluation of the binding conformations predicted by molecular docking studies in bio-system

Franck-Condon factors bridge the gap between theoretical modeling and experimental observations for molecular electronic spectroscopy and electron transfer.Under the displaced harmonic oscillator approximation,multidimensional Franck-Condon factors are decomposed into a product of many one-dimensional(1D)Franck-Condon(FC)factors,and each 1D-FC factor is associated with one Huang-Rhys factor that determines the leading contribution of