Methods for correlating T1rho and FID components in wideline 1H NMR studies of motionally heterogeneous polymer systems

We address the problem of correlating the observed FID and T_1ρ components in wideline ¹H relaxation measurements of motionally heterogeneous polymers, and show that different methods of data treatment can highlight different aspects of the correlations present. For a sample of polypropylene we find that the T_1ρ relaxation behaviour is driven by relaxation associated with the intermediate FID component, which strongly suggests a motionally inhomogeneous amorphous region in the sample.     

Correlation between 1H FID and T1rho components in heterogeneous polymer systems: an application to SBS

Wideline ¹H FID and relaxation measurements of a relatively simple motionally heterogeneous system, the triblock copolymer styrene–butadiene–styrene, have been performed in a temperature range between the polystyrene and polybutadiene glass transition temperatures. The two FID and the two spin lattice relaxation time in the rotating frame (T_1ρ) components found at each temperature have been correlated by means of a two-dimensional approach. It is shown that this approach allows dynamic information, not accessible simply by interpreting proton T₁ and T_1ρ data, to be revealed. In the case examined, the correlation found could be confirmed by high-resolution ¹H T_1ρ-selective ¹³C Cross Polarization experiments.     

Preparation of α-Fe2O3 nanoparticles by high-energy ball milling

α-Fe₂O₃ nanoparticles were prepared by high-energy ball milling using α-FeOOH as raw materials. The prepared samples were characterized by transmission electron microscopy (TEM), Mössbauer spectroscopy, X-ray diffraction (XRD) and differential thermal analysis–thermogravimetric analysis (DTA–TGA). The results showed that after 90 h milling α-Fe₂O₃ nanoparticles were obtained, and the particle size is about 20 nm. The mechanism of reaction during milling is supposed that the initial α-FeOOH powder turned smaller and smaller by the high-speed collision during ball milling, later these particles turned to be superparamagnetic, at last these superparamagnetic α-FeOOH particles were dehydrated and transformed into α-Fe₂O₃.     

Absorption spectrum of nitrous acid for the ν1+2ν3 band studied with continuous-wave cavity ring-down spectroscopy and theoretical calculations

We present the high resolution absorption measurements of gaseous HONO at room temperature using continuous-wave cavity ring-down spectroscopy in the near-infrared region between 6017 and 6067 cm⁻¹ at a resolution of 1 pm (0.037 cm⁻¹). For the trans-HONO isomer an extensive analysis of the ν₁+2ν₃ combination band 6045.8089 cm^–1 was performed starting from the results of a previous study for the 1¹ and 3¹ vibrational states [Guilmot J-M, Godefroid M, Herman M. Rovibrational parameters for trans-nitrous acid. J Mol Spectrosc 1993;160:387–400]. The present combination band is perturbed because of the existence of several dark states of HONO which could not be identified unambiguously. The rotational constants achieved for the 1¹3² state deviate slightly from the values which are predicted from the rotational constants achieved in the previous studies for the 1¹ and 3¹ vibrational states of trans-HONO.     

Transport properties and defect analysis of La1.9Sr0.1NiO4 + δ

The oxygen flux through La_1.9Sr_0.1NiO_4 + δ has been measured as a function of oxygen activity gradient and temperature (750–1000 °C). The oxygen nonstoichiometry was determined by thermogravimetry in the temperature range of 400–1000 °C and oxygen partial pressures of 0.0002–1 atm. The total conductivity was measured over a similar range of conditions. The oxide ion partial conductivity derived from the oxygen flux data is approximately 4 orders of magnitude lower than the total, mainly p-type electronic conductivity. The defect structure was derived based on the data. Combining the oxygen flux and oxygen nonstoichiometry, the self diffusion coefficient of oxygen interstitials was evaluated.     

2H T2rho relaxation dynamics and double-quantum filtered NMR studies

In this study 2H T2rho DQF NMR spectra of water in MCM-41 were measured. The T2rho double-quantum filtered (DQF) NMR signal is generated by applying a radio frequency (RF) field for various durations and then observed after a monitor RF pulse. It was found that the transfer between different quantum coherences by the couplings during long-duration RF fields (i.e., soft pulses) and that residual quadrupolar interaction dominates the signal decay. Knowledge of coherence transfer during long-RF pulses has special significance for the development of sophisticated multi-quantum NMR experiments especially multi-quantum MRI applications.     

Structural and optical properties of Ba(Ti1−x,Nix)O3 thin films prepared by sol–gel process

Ba(Ti_1−x,Ni_x)O₃ thin films were prepared on fused quartz substrates by a sol–gel process. X-ray diffraction and Raman scattering measurements showed that the films are of pseudo-cubic perovskite structure with random orientation and the change of lattice constant caused by Ni-doping with different concentrations is very small. Optical transmittance spectra indicated that Ni-doping has an obvious effect on the energy band structure. The energy gap of Ba(Ti_1−x,Ni_x)O₃ decreased linearly with the increase of Ni concentration. It indicates that the adjusting of band gap can be achieved by controlling the Ni-doping content accurately in Ba(Ti_1−x,Ni_x)O₃ thin films. This has potential application in devices based on ferroelectric thin films.     

The ν1 and ν3 stretching fundamental bands of PD3

The infrared (IR) spectrum of PD₃ has been recorded in the 1580–1800 cm⁻¹ range at a resolution of 0.0027 cm⁻¹. About 2400 rovibrational transitions with J^′=K^′22 have been measured and assigned to the ν₁ (A₁) and ν₃ (E) stretching fundamentals. These include 506 “perturbation-allowed” transitions with selection rules Δ(k−l)=±3. Splittings of the K^′′=3 lines have been observed. Effects of strong perturbations are evident in the spectrum. Therefore the rovibrational Hamiltonian adopted for the analysis explicitly takes into account the Coriolis and k-type interactions between the v₁=1 and v₃=1 states, and includes also several essential resonances within these states. The rotational structure in the v₁=1 and v₃=1 vibrational states up to J^′=K^′=18 was reproduced by fitting simultaneously all experimental data. Thirty-four parameters reproduced 1950 transitions retained in the final cycle with a standard deviation of the fit equal to 4.9 × 10⁻⁴ cm⁻¹ (about the precision of the experimental measurements).     

Effect of Y2O3 addition on the conductivity and elastic modulus of (CeO2)1 − x(YO1.5)x

The conductivity and elastic modulus of (CeO₂)_1 − x(YO_1.5)_x for x values of 0.10, 0.15, 0.20, 0.30, and 0.40 were investigated by experiments and molecular dynamics simulations. The calculated conductivity exhibited a maximum value at approximately 15 mol% Y₂O₃; this trend agreed with that of the experimental results. In order to clarify the reason for the occurrence of the maximum conductivity, the paths for the transfer of oxygen vacancies were counted. The numerical result revealed that as the content of Y₂O₃ dopant increases, the number of paths for the transfer of oxygen vacancies decreases, whereas the number of oxygen vacancies for conductivity increases. Thus, the trade-off between the increase in the number of vacancy sites and the decrease in the vacancy transfer was considered to be the reason for the maximum conductivity occurring at the Y₂O₃ dopant content of approximately 15 mol%. The calculated elastic modulus also exhibited a minimum value at approximately 20 mol% Y₂O₃, which also agreed with the experimental results. It was shown that the Y–O–Y bonding energy increased with the increasing content of Y₂O₃ dopant. Thus, the trade-off between the increase in the number of vacancy sites and that in the Y–O–Y bonding energy was considered to be the reason for the minimum elastic modulus occurring at the Y₂O₃ dopant content of approximately 20 mol%.     

A theoretical investigation of the special properties of SrFe1−xCoxO3

Using density-functional calculations, we investigate the special properties of SrFe_1−xCo_xO₃. The results show that the ground states have A-type antiferromagnetic order for x=0.1 and ferromagnetic order for x≥0.2 with Co ions distributed averagely. SrFe_1−xCo_xO₃ exhibits half-metallic nature for 0.2≤x≤0.7 and full-metallic nature for other values of x, and the half-metallic gap decreases with increasing x. The tunneling between the half-metallic ferromagnetic phases drives the large magnetoresistance. In addition, the Co cations are in the intermediate-spin state, while the Fe cations are in the intermediate-spin state for x≤0.5 and the high-spin state for x≥0.6.     

三明治结构Tan(B3N3H6)n+1 团簇的磁性和量子输运性质

利用密度泛函理论和非平衡格林函数方法, 本文对小尺寸团簇Ta_n(B₃N₃H₆)_n+1 (n ≤ 4)的磁性和量子输运性质进行了系统的研究. 计算结果表明, 此类体系采用三明治结构作为其基态并且具有较高的稳定性. 体系的磁矩随团簇尺寸的增大而线性增大. 当把Ta_n(B₃N₃H₆)_n+1团簇耦合到Au电极上时, 形成的Au-Ta_n(B₃N₃H₆)_n+1-Au体系在有限偏压下展示出了较强的自旋过滤能力, 因而可以被看做是一类新型的低维自旋过滤器.     

氢同位素氚水T2O(X1A1)的解析势能函数

获得T₂O(X¹A₁)解析势能函数的主要困难在于Born-Oppenheimer近似下T₂O(X¹A₁)与H₂O(X¹A₁)势能函数的不可区分性.然而,在Born-Oppenheimer近似下,分子势能函数实际上是键长、键角这些 关键词： 2O(X¹A₁)')" href="#">T₂O(X¹A₁) 同位素效应 解析势能函数     

Observation of γ-delayed 3α breakup of the 15.11 and 12.71 MeV states in C

The reactions at 4.9 MeV and at 8.5 MeV have been used to investigate the γ decay of states in ¹²C. By measuring the four-body final state in complete kinematics we are able to detect γ transitions indirectly. We find γ transitions from the 15.11 MeV state in ¹²C to the 12.71, 11.83, 10.3 and 7.65 MeV states followed by their breakup into three α particles. The relative γ-ray branching ratios obtained are (1.2±0.3), (0.32±0.12), (1.4±0.2) and (4.4±0.8)%, respectively, with the remaining (92.7±1.0)% of the γ decays going to the bound states. We obtain Γ_α/Γ=(2.8±1.2)% for the isospin-forbidden α decay of the 15.11 MeV state. From the 12.71 MeV state we find γ transitions to the 10.3 and 7.65 MeV states. The relative γ-ray branching ratios are and , respectively, with the remaining of the γ decays going to the bound states. Finally, we discuss the relation between the β decay of ¹²N and ¹²B to states in ¹²C and the γ decay of the 15.11 MeV analog in ¹²C to the same states.     

过渡族元素掺杂BaTiO3-Tb1-xDyxFe2-y层状复合材料中的磁电效应

用溶胶-凝胶法制备1.0%mol Mn,Cr,Co掺杂 BaTiO₃(BTO)粉体,在1350℃下烧结成多晶陶瓷样品.X射线衍射和差示扫描量热分析表明,室温下掺杂BaTiO₃具有四方钙钛矿结构;居里点和相变潜热随Cr,Mn,Co掺杂逐渐降低.将掺杂BaTiO₃与Tb_1-xDy_xFe_2-y(TDF)胶合制成双层磁电复合材料,并研究了Cr:BTO-TDF,Mn∶BTO-TDF,Co:BTO-TDF层状复合材料中的磁电效应.实验表明,在340×80 A·m^-1偏置磁场下, Cr:BTO-TDF的横向磁电电压系数达到最大值586 mV·cm^-1·(80 A·m^-1)^-1.在400×80 A·m^-1偏置磁场下,Mn∶BTO-TDF和Co:BTO-TDF的横向磁电电压系数的最大值分别为480 mV·cm^-1·(80 A·m^-1)^-1和445mV·cm^-1·(80 A·m^-1)^-1.研究表明掺杂BaTiO₃-TDF层状复合材料中具有较强的磁电耦合.作为无铅压电材料,掺杂BaTiO₃制备的磁电效应器件颇具应用前景. 关键词： 磁电效应 双层复合材料 3')" href="#">掺杂BaTiO₃ 1-xDy_xFe_2-y')" href="#">Tb_1-xDy_xFe_2-y     

T1ρ-weighted MRI using a surface coil to transmit spin-lock pulses

T1rho-weighted MRI is a novel basis for generating tissue contrast. However, it suffers from sensitivity to B1 inhomogeneity. First, excitation with a spatially varying B1 causes flip-angle artifacts and second, spin locking with an inhomogeneous B1 results in non-uniform T1rho contrast. In this study, we overcome the former complication with a specially designed spin-locking pulse sequence and we successfully obtain T1rho-weighted images with a surface coil. In this pulse sequence, the spin-lock pulse was divided into segments of equal duration and alternating phase. This "self-compensating" T1rho-preparatory pulse sequence was analyzed and the effect of an inhomogeneous B1 field was simulated using the Bloch equations. T1rho-weighted MR images of a phantom and a human knee joint in vivo were obtained on a clinical scanner with a surface coil to demonstrate the utility of the pulse sequence. The self-compensating T1rho-prepared pulses sequence resulted in substantially reduced image artifacts compared to the conventional, single-phase spin-lock pulse.     

(Bi1-x Agx)2(Te1-ySey)3粉体的机械合金化制备及其放电等离子烧结体的热电输运特性

采用机械合金化制备了n型(Bi_1-xAg_x)₂(Te_1-ySe_y)₃合金粉体,对其进行XRD分析表明Bi,Te,Ag,Se单质粉末,经2h球磨后实现了合金化;SEM分析表明随着机械合金化时间延长粉体颗粒变得均匀、细小,颗粒尺寸在微米至亚微米数量级.采用放电等离子烧结制备了块体样品,研究了合金成分和球磨时间对热电性能的影响.结果表明材料的热电性能与掺杂元素有密切关系,Ag有利于提高功率因子和降低晶格热导率,球磨10h的(Bi_0.99Ag_0.01)₂(Te_0.96Se_0.04)₃合金粉末的烧结块体具有最大的功率因子和最低的晶格热导率,并在323K取得最高ZT值0.52. 关键词： 1-xAg_x)₂(Te_1-ySe_y)₃合金')" href="#">(Bi_1-xAg_x)₂(Te_1-ySe_y)₃合金 机械合金化 放电等离子烧结 热电性能     

Pr0.7(Sr1-xCax)0.3MnO3多晶体系中的小极化子性质

采用基于柠檬酸体系的溶胶-凝胶法制备了Pr_0.7（Sr_1-xCa_x）_0.3MnO₃系列的多晶块材, 同时还用脉冲激光沉积技术（PLD）在SrTiO₃（100）衬底上外延生长了同一系列的薄膜, 系统研究了它们的晶格结构和电输运行为. 多晶和薄膜样品都具有正交晶格结构, 电输运行为在居里温度T_Ｃ以上的高温顺磁相都很好 关键词： 0.7（Sr_1-xCa_x）_0.3MnO₃')" href="#">Pr_0.7（Sr_1-xCa_x）_0.3MnO₃ 绝热小极化子模型 双交换作用 Jahn-Teller晶格畸变     

Polyacrylonitrile electrolytes: 1. A novel high-conductivity composite polymer electrolyte based on PAN, LiClO4 and α-Al2O3

In this work, a series of novel solid-type α-Al₂O₃-containing polyacrylonitrile (PAN)-based composite polymer electrolytes (CPE) with high conductivity and high mechanical property at room temperature has been prepared. The effect of the addition of α-Al₂O₃ on the properties of the PAN-based composite polymer electrolyte has been analyzed. The best conductivities obtained at room temperature is 5.7×10⁻⁴ S cm⁻¹ from the CPE with 7.5 wt.% α-Al₂O₃ and 0.6 LiClO₄ per PAN repeat unit. The stress–strain test result indicates that the membranes prepared possess high yield stress (73 kg cm⁻²) suitable for serving as separators in the solid-state lithium and lithium ion batteries and high yield elongation (225%) pliable to form good interface with electrodes. Also discussed are the effects of the addition of the ceramics on the interactions in the system and the possible conduction mechanism.     

Phantom and in vivo study of the look–locher T1 mapping method

This paper describes and tests the LL-EPI method for obtaining quantitative T₁ estimates in a few seconds thereby allowing dynamic T₁ studies. It is shown that the method works even when there is an inflow into the imaged volume, e.g., in a vessel. No calibration is needed. The method has been tested in a phantom study with several different scan parameter set-ups, with and without inflow. The method shows robustness and individual scan parameters and inflow rates do not influence the ability to calculate the Gd-DTPA concentration. Linearity prevail between the measured 1/T₁ and the Gd-DTPA concentration in the range 150 < T₁ < 2500 ms. In a dynamic Gd-DTPA phantom study, it was shown that the dynamic LL-EPI T₁ mapping technique was three times more sensitive than the signal from a T^*₂-weighted EPI sequence. In an in vivo study, dynamic T₁ mapping of the Gd-DTPA uptake in a meningioma was performed. Inspection of the uptake curves indicates that the method is feasible in clinical perfusion studies.