边界条件与一维高分子系统的稳定性

讨论了SSH模型在一维有限系统上的稳定性，提出了几种稳定边界的办法，并对边界条件的作用进行了分析讨论 关键词：     

Organic quantum well and superlattice characteristics in quasi-one-dimensional multiblock copolymers

A tight-binding calculation was presented to describe multiblock copolymers, such as [...-(PA)x-(PPP)y-...] composed of PA (polyacetylene) and PPP (poly(p-phenylene). It is found that a copolymer has a quantum well and superlattice characteristics, and evident is the effect of the composite lengths, the interfacial couplings and the electron-phonon interactions on the electronic properties of a copolymer. The quantum tunneling, the Franz-Keldysh effect and the quantum confinement can be generated under an applied electric field. These results were compared to those of traditional inorganic quantum well and superlattice systems.     

非闭环结构下有机磁性材料中的自旋密度波性质

研究了有机磁性聚合物ploy-BIPO链的封闭和非封闭结构对体系自旋密度（SDW)的影响.在开链情况下,自旋耦合与电子-电子相互作用对主链SDW的形成存在竞争,自旋耦合有利于SDW的形成;而电子-电子相互作用对SDW起到抑制作用.闭环下,没有得到这些结论. 关键词：     

Two-step dissociation of a polaron in conjugated polymers

We have studied the electric-field-driven motion of a polaron by solving the time-dependent Schr\"{o}dinger equation nonadiabatically and the lattice equation of motion simultaneously. It is found that the polaron may experience two sequent transitions under high fields; one is the transition from the subsonic to the supersonic state, and the other from the supersonic to dissociated state. The acoustic mode is decoupled from the charge when the polaron moves at a speed faster than the sound speed, and then the optical mode is decoupled at the second transition to make the polaron dissociate completely.     

回火温度对20Cr13不锈钢液固两相流冲刷腐蚀性能的影响

对20Cr13不锈钢经过1 030 ℃淬火后在不同温度下进行回火处理，分析了回火温度对20Cr13不锈钢组织硬度的影响，采用自制的旋转冲刷腐蚀试验机研究了在0.5M H₂SO₄液固两相流条件下，回火温度对20Cr13不锈钢冲刷腐蚀性能的影响，利用扫描电镜观察了试样冲刷腐蚀表面的微观形貌，探讨了其冲刷腐蚀机理. 结果表明:20Cr13不锈钢经淬火后250 ℃左右回火时硬度最高；经回火处理后20Cr13不锈钢冲刷腐蚀特征表现为腐蚀作用强于冲刷作用，而冲刷强烈促进腐蚀，冲刷与腐蚀的交互作用占冲刷腐蚀总失重率的80%左右. 随着回火温度的升高，20Cr13不锈钢组织由马氏体转变为屈氏体、索氏体，碳化物颗粒逐渐长大，腐蚀量增大，冲刷腐蚀总量也增大，250 ℃左右回火时，20Cr13不锈钢抗冲刷腐蚀性能最佳.      

一种传感器线性校正表格的自动生成方法

介绍一种由单片机控制的传感器线性校正表格自动生成系统，该系统由一个标准检测仪和一个待生成表格的检测仪组成，两个检测仪在同一压力下同时进行数据采集，通过串口通信，生成线性校正表格。     

LaFe1-xNixO3-δ系陶瓷导电性研究

采用标准的固相反应法制得ＬａＦｅ１－ｘＮｉｘＯ３－δ系陶瓷,用双臂电桥原理、四探针法对材料的电阻率进行测试。结果表明,ＬａＦｅ１－ｘＮｉｘＯ３－δ系陶瓷在０．６〈ｘ〈０．８范围具有金属态导电性,在该系材料中,存在着氧缺位和导电电子,因此具有较高的电子和氧离子混合导电性。制造工艺与氧缺位密切相关,适当提高烧结温度可使室温电阻率降低。温温实验证明,在１２０Ｋ附近材料存在一相变过程。     

Organic quantum-well characteristics of quasi-one-dimensional copolymers

Copolymers which are synthesized by oligomers or homopolymers have quasi-one-dimensional structures. A tight-binding model was suggested to study the organic quantum-well properties of triblock copolymers xPA/nPPP/yPA and xPPP/nPA/yPPP consisting of polyacetylene (PA) and poly( p-phenylene) (PPP). It was found that the electronic density in the lowest conductive state (LUMO) could be tuned by the ratios of homopolymers and interfacial coupling. The spontaneous quantum tunneling effects will occur in triblock copolymer xPA/nPPP/yPA with the increasing interfacial coupling.     

金属卤化物中的晶格振动

运用紧束缚双带模型对MX化合物晶格振动的计算发现,晶格振动谱由一条声频支和三条光频支组成,进一步得到了出现元激发时,晶格振动色散关系中的分立频率和相应的定域振动模.在MX化合物红外吸收谱的计算中发现对应不同元激发红外谱具有不同的特征. 关键词： 电荷密度波 晶格振动 红外吸收