OFDM系统中基于改进阈值的DFT信道估计

在OFDM系统中，传统的基于DFT的信道估计不能使循环前缀内的噪声得到有效的抑制.为解决此问题，在分析利用不同的时域阈值来抑制噪声的算法缺点和不足的基础上，提出了一种新的将噪声样本点能量的中位数作为时域阈值的DFT信道估计算法.仿真实验表明，所提算法在大脉冲噪声情况下，可以很好地解决信道有效样本点被滤除的问题，且能使循环前缀内的噪声得到有效抑制，误码率和均方误差得到进一步降低，提高了信道估计的准确性.     

砂轮动平衡测试系统

设计了以TMS320F240为核心的测试系统，研究了DFT 算法计算砂轮不平衡振动信号的幅值以及相位。实验结果表明，该系统能精确地测试出不平衡信息，且具有抗干扰能力强、精度高的特点。     

密度泛函算法中基组效应对SiOSi链节的结构、能量和非共价键作用的影响

以二硅氧烷（H3 SiOSiH3）为聚硅氧烷中SiOSi骨架的模型分子，以它与水分子形成1∶1氢键复合物作为Si-OSi骨架参与非共价相互作用的模型分子，对二重裂分基组6-31G和三重裂分基组6-311G与不同极化函数和弥散函数组合下对二硅氧烷的几何结构、SiOSi线性化能垒及其非键相互作用的预测能力进行了测评。以B3LYP算法来测试基组效应对几何结构和SiOSi线性化能垒的影响，以PBE1PBE算法来考查基组对非共价相互作用的影响。结果表明：1）二硅氧烷的几何结构与线性化能垒对角动量的依赖性较强，至少要使用（3df ，p ）以上的角动量才会达到收敛；2）二硅氧烷的非共价相互作用同样也要使用（3df ，p）以上的角动量才会达到收敛，同时需要包含零点校正能才能得到合理的结合能，但基组叠加效应对结合能的影响则可忽略。     

聚合物材料PPV及PPyV光电性质的第一性原理研究

运用密度泛函理论平面波赝势方法(PWP)和广义梯度近似(GGA),研究了聚对苯乙烯(poly-paraphenylene vinylene,PPV)材料的结构、电学性质以及光学性质。分析其电子态分布与结构的关系,给出了聚合物PPV掺杂前后体系的态密度及能带结构。在标准条件下,PPV单胞内的原子均在同一平面上,其结构常数如键长和键角与实验及理论值符合较好。将PPV的一个C原子用N原子替代,即聚乙烯吡啶(PPyV),计算发现,其能带图与PPV材料相比有细微差别,相对于PPV,吸收谱的波形基本相同,而吸收峰明显发生蓝移。通过比较可知,研究所得结果与现有文献相符。     

AM1 andab initio studies on the internal reorganization energy of self-exchange electron transfer reactions of several quinone derivatives

The semiempirical AM1 method, ab initio (HF/3-21G, 6-31G, 6-31G(d), 6-31+G(d)) and DFT (B3LYP/6-31G(d), 6-31+G(d)) methods were used to optimize the geometry of DDQ and its anion radical . Nelsen’s model was used to calculate the internal reorganization energy ?i of self-exchange electron transfer (ET) reactions. The calculated l _i results of by AM1 and B3LYP/ 6-31G(d), 6-31+G(d) methods are close to each other and consistent with the reported values; while those from Hartree-Fock methods are too large because of not considering the effect of electron correlation. The structure and ET behavior of couple were studied by AM1 and DFT (B3LYP/6-31G(d), 6-31+ G(d, p)) methods, and those of (n = 1—7) were studied by AM1 method for the first time. The results indicate that the values of the heat of formation of MQ_n increases with the increasing of the length of the isoamylene substituent chains. It also shows that the length of substituent has little effect on the bond lengths, bond angles of ring A, ring B and the dihedral angles of ring B, but it has considerable effect on the dihedral angles between the plane of ring A and oxygen atoms. The calculated l _i results of and (n = 1—7) indicate that not only the changes of high frequency vibrations, corresponding to the changes of bond lengths and bond angles, contribute to l _i of (n = 1—7), but also do those of the low frequency vibrations, corresponding to the changes of dihedral angles of MQ_n and . The contribution from the change of low frequency vibrations between the plane of ring A and oxygen atoms to the l _i values of (n = 1—7) is greater than 1.60 kJ/mol; in addition, the contribution from the changes of the low frequency vibrations of the isoamylene substituent to the l _i values of and is about 2 kJ/mol.     

(RXN)4与(XNR)4立方簇合物的稳定性

用密度泛函理论DFT ,在B3LYP/CEP 1 2 1G水平上 ,对 (RXN) 4 (X =C ,Si,Ge ,Sn,Pb ;R =H ,CH3,C(CH3) 3,Si(CH3) 3,C6H5)立方簇合物的几何构型、电子结构、振动光谱和化学键性质进行了研究 .结果表明 ,(RXN) 4 的稳定性较差 ,(XNR) 4 的 5种结构的稳定性顺序为 :(PbNR) 4>(SnNR) 4 >(GeNR) 4 >(SiNR) 4 >(CNR) 4 .     

高维NTT和DFT的一种快速整体叠代法

对于高维离散付里叶变换和数论变换的计算,目前只有用行列法来进行降维处理,本文给出一种新的计算方法,它相对于行列法保持加法不变,而乘法次数将大大减少.     

夹心型配合物二茂铁和E5 FeE5(E=N,P,As,Sb,Bi)的结构和芳香性

 用密度泛函理论(DFT)研究了二茂铁和E₅Fe₅(E=N,P,As,Sb,Bi) 的结构和芳香性,计算表明它们分别具有D_5h、D_5d、D_5h、D_5h、D_5d、D_5d对称性的芳香性稳定结构。二茂铁的芳香性主要是因为Fe孤对电子和C-C σ键的作用,N₅FeN₅的芳香性主要归因于N-N π键和Fe孤对电子。P₅FeP₅和As₅FeAs₅的芳香性主要归因于各自的P-Fe键、As-Fe键和Fe孤对电子,而对Sb和Bi配合物影响最大的主要是Fe孤对电子。表明不仅化学键对芳香性特征有贡献,孤对电子对其芳香性也有很大的作用。     

Ethernet controller SoC design and its low-power DFT considerations

In this paper, an Ethernet controller SoC solution and its low power design for testability (DFT) for information appliances are presented. On a single chip, an enhanced one-cycle 8-bit micro controller unit (MCU), media access control (MAC) circuit and embedded memories such as static random access memory (SRAM), read only memory (ROM) and flash are all integrated together. In order to achieve high fault coverage, at the same time with low test power, different DFT techniques are adopted for different circuits: the scan circuit that reduces switching activity is implemented for digital logic circuits; BIST-based method is employed for the on-chip SRAM and ROM. According to the fault-modeling of embedded flash, we resort to a March-like method for flash built in self test (BIST). By all means above, the result shows that the fault coverage may reach 97%, and the SoC chip is implemented successfully by using 0.25 μm two-poly four-metal mixed signal complementary metal oxide semiconductor (CMOS) technology, the die area is 4.8×4.6 mm2. Test results show that the maximum throughput of Ethernet packets may reach 7 Mb · s⁻¹. Biography: ZHENG Zhaoxia (1975–), female,Ph.D. candidate, Lecturer, research direction: system one chip (SOC) integrated circuits design.     

方解石晶体振动模式群论分析和红外光谱的DFT

分别运用因子群对称分析法和位置群对称分析法对方解石(CaCO3)晶体的振动模式进行了详细的理论分析,快速得到方解石晶体的具体振动模式,并明确指出了各振动模式的光谱特性,同时还比较了两种分析方法的适用性.对所建立的方解石晶体的超晶胞模型,采用基于密度泛函理论(DFT)的第一原理方法进行了红外光谱的计算,得到27个光学振动模式的具体振动频率,各频率的光谱特性与群论的理论分析一致.与晶格动力学方法相比,该方法的计算结果更好地符合实验结果.