单晶硅的纳米力学响应及其相变机制

硅在大规模集成电路、MEMS/NEMS、半导体工业中具有不可替代作用,但是目前对硅的塑性变形及其相变机制的理解远未成熟.采用大规模分子动力学模拟研究(100)面的单晶硅在球形金刚石压头纳米压入过程中的纳米力学响应、相变过程和相分布规律.结果表明:在弹性变形阶段载荷-压深曲线与Hertz接触理论预测结果相吻合.两者的分离点准确地预示了塑性变形的发生.金刚石结构的Si-I相向体心结构的BCT5相转变导致了单晶硅初始的塑性变形.初始形成的BCT5相在次表面形成了一个倒置的金字塔形结构.Si-II相的形成则稍微滞后一些.在较大的载荷下BCT5在压入面上形成一个四重对称的图案分布.相对于小压头条件下大的BCT5相区,大压头更有利于SiII相的发展.卸载后生成的高压Si-II相和BCT5相全部转变为非晶硅.研究结果确认了单晶硅纳米压入中BCT5相的存在;揭示了单晶硅塑性变形的相变机理,即Si-I转变为BCT5和Si-II相;并强调了Si-I相向BCT5相转变对于单晶硅塑性变形的重要作用.     

非齐次光纤介质中非线性薛定谔方程的相似变换与精确解

基于李群理论和符号计算, 获得了具有增益/损耗项和频率啁啾项的非齐次光纤介质中的非线性薛定谔方程的相似变换; 利用所得变换, 把具有群速度参数、克尔非线性效应参数、相位调制参数和增益/损耗参数的变系数非线性薛定谔方程约化为相应常系数非线性薛定谔方程. 通过一个广义的直接求解方法, 构造了常系数非线性薛定谔方程的一组亮孤子解和一组暗孤子解, 进而得到了变系数非线性薛定谔方程丰富的精确解. 最后对所得亮孤子解和暗孤子解进行了动力学分析与讨论.     

Evidence of polymorphic transformations of Sn under high pressure

The high-pressure polymorphs and structural transformation of Sn were experimentally investigated using angledispersive synchrotron x-ray diffraction up to 108.9 GPa. The results show that at least at 12.8 GPa β-Sn→bct structure transformation was completed and no two-phase coexistence was found. By using a long-wavelength x-ray, we resolved the diffraction peaks splitting and discovered the formation of a new distorted orthorhombic structure bco from the bct structure at 31.8 GPa. The variation of the lattice parameters and their ratios with pressure further validate the observation of the bco polymorph. The bcc structure appears at 40.9 GPa and coexists with the bco phase throughout a wide pressure range of40.9 GPa–73.1 GPa. Above 73.1 GPa, only the bcc polymorph is observed. The systematically experimental investigation confirms the phase transition sequence of Sn as β-Sn→bct→bco→ bco + bcc→bcc upon compression to 108.9 GPa at room temperature.     

Rashba Effect in Presence of Time-Dependent Interaction

Rashba effect in presence of a time-dependent interaction has been considered.Then time-evolution of such a system has been studied by using Lewis–Riesenfeld dynamical invariant and unitary transformation method.So appropriate dynamical invariant and unitary transformation according the considered system have been constructed as well as some special cases have come into this article which are common in physics.     

Applications of the conformal transformation method in studies of composed superconducting systems

A framework for analytical studies of superconducting systems is presented and illustrated. The formalism, based on the conformal transformation of momentum space, allows one to study the effects of both the dispersion relation and the structure of the pairing interaction in two-dimensional anisotropic high-T _c superconductors. In this method, the number of employed degrees of freedom coincides with the dimension of the momentum space, which is different compared to that in the standard Van Hove scenario with a single degree of freedom. A new function, the kernel of the density of states, is defined and its relation to the standard density of states is explained. The versatility of the method is illustrated by analyzing coexistence and competition between spin-singlet and spin-triplet order parameters in superconducting systems with a tight-binding-type dispersion relation and an anisotropic pairing potential. Phase diagrams of stable superconducting states in the coordinates η (the ratio of hopping parameters) and n (the carrier concentration) are presented and discussed. Moreover, the role of attractive and repulsive on-site interactions for the stability of the s-wave order parameter is explained.     

Darboux Transformation and N-soliton Solution for Extended Form of Modified Kadomtsev-Petviashvili Equation with Variable-Coefficient

The extended form of modified Kadomtsev-Petviashvili equation with variable-coefficient is investigated in the framework of Painlevé analysis. The Lax pairs are obtained by analysing two Painlevé branches of this equation. Starting with the Lax pair, the N-times Darboux transformation is constructed and the N-soliton solution formula is given, which contains 2n free parameters and two arbitrary functions. Furthermore, with different combinations of the parameters, several types of soliton solutions are calculated from the first order to the third order. The regularity conditions are discussed in order to avoid the singularity of the solutions. Moreover, we construct the generalized Darboux transformation matrix by considering a special limiting process and find a rational-type solution for this equation.     

西范坪矿区土壤铜元素的高光谱响应与反演模型研究

为解决传统的土壤地球化学测量方法成本高、效率低等问题,研究了利用可见-近红外光谱技术检测土壤重金属含量的简易方法。研究对西范坪矿区土壤反射光谱进行微分、连续统去除等六种变换,利用逐步回归法和皮尔逊相关系数选出对土壤铜含量敏感的特征波段,组成综合特征变量集,再应用不同的特征变量选取方法和参数建立估算模型并检验。结果表明：不同的光谱变换方法对土壤铜含量信息提取能力不同,每种光谱变换都对应特定的敏感波谱区间;基于综合光谱变换信息建立的土壤铜含量反演模型精度优于基于单种光谱变换信息建立的模型;利用综合光谱变换信息建立土壤铜含量反演模型,后向剔除法优于前向引入法和逐步回归法,当Removal取0.20时得到最优回归模型,其模型决定系数R2和预测模型决定系数R2_pre分别达到了0.851和0.830,建模均方根误差RMSEC和预测均方根误差RMSEP分别为0.349和0.468 mg·kg-1,能较好地检测土壤铜含量,同时为其他土壤重金属元素的光谱检测提供了思路。     

Polyphenol Rich Ajuga bracteosa Transgenic Regenerants Display Better Pharmacological Potential

Ajuga bracteosa Wall. ex Benth. is an endangered medicinal herb traditionally used against different ailments. The present study aimed to create new insight into the fundamental mechanisms of genetic transformation and the biological activities of this plant. We transformed the A. bracteosa plant with rol genes of Agrobacterium rhizogenes and raised the regenerants from the hairy roots. These transgenic regenerants were screened for in vitro antioxidant activities, a range of in vivo assays, elemental analysis, polyphenol content, and different phytochemicals found through HPLC. Among 18 polyphenolic standards, kaempferol was most abundant in all transgenic lines. Furthermore, transgenic line 3 (ABRL3) showed maximum phenolics and flavonoids content among all tested plant extracts. ABRL3 also demonstrated the highest total antioxidant capacity (8.16 ± 1 μg AAE/mg), total reducing power, (6.60 ± 1.17 μg AAE/mg), DPPH activity (IC50 = 59.5 ± 0.8 μg/mL), hydroxyl ion scavenging (IC50 = 122.5 ± 0.90 μg/mL), and iron-chelating power (IC50 = 154.8 ± 2 μg/mL). Moreover, transformed plant extracts produced significant analgesic, anti-inflammatory, anticoagulant, and antidepressant activities in BALB/c mice models. In conclusion, transgenic regenerants of A. bracteosa pose better antioxidant and pharmacological properties under the effect of rol genes as compared to wild-type plants.     

Preparation and characterization of pentaerythritol/butane tetracarboxylic acid/polyethylene glycol crosslinking copolymers as solid-solid phase change materials

Pentaerythritol/butane tetracarboxylic acid/polyethylene glycol (PBPEG) crosslinking copolymers as a novel solid-solid phase change material (SSPCM) were successfully synthesized through the reaction mechanism and conditions of hydroxyl-carboxyl condensation reaction. The composition and chemical structure, crystalline properties, phase change behaviors, thermal reliability and chemical stability of PBPEG crosslinking copolymers were investigated by Fourier transform infrared spectroscopy (FT-IR), wide-angle X-ray diffraction (WAXD), polarization optical microscopy (POM), differential scanning calorimetry (DSC), and thermogravimetry (TGA), respectively. The results show that PBPEG crosslinking copolymers have typical solid-solid phase transition temperatures in the range of 10.31～53.27°C and high latent heat enthalpy in the range of 89.6～102.8 J/g, the synthesized SSPCMs have good thermal reliability and chemical stability after 300 thermal cycles, and PBPEG crosslinking copolymers have good thermal stability before 364°C. In summary, the synthesized PBPEG crosslinking copolymers could be potentially used for thermal energy storage.     

Study on the crystal transformation of ammonium polyphosphate crystalline form V

The crystal transformation of ammonium polyphosphate crystalline form V (APPv) was studied. The effects of heating time and water content in the reactor were explored. The results showed that APPv underwent complete conversion to crystalline form II (APPii) when heated at 200°C. The pure and water-insoluble APPii was obtained under the alternate wet ammonia and dry ammonia atmosphere. Then, the thermal behavior of APPv and APPii was investigated. The TG analysis showed APPv had high thermal stability over the range of 300°C to 580°C, which was possibly due to its highly cross-linked structures.