Correspondence between spin-dynamic phases and pulse program phases of NMR spectrometers

Spin state selective experiments have become very useful tools in solution NMR spectroscopy, particularly in the context of TROSY line narrowing. However, the practical implementation of such pulse sequences is frequently complicated by unexpected instrument behavior. Furthermore, a literal theoretical analysis of sequences published with specific phase settings can fail to rationalize such experiments and can seemingly contradict experimental findings. In this communication, we develop a practical approach to this ostensible paradox. Spin-dynamic design, rationalization, and simulation of NMR pulse sequences, as well as their confident and reliable implementation across current spectrometer hardware platforms, require precise understanding of the underlying nutation axis conventions. While currently often approached empirically, we demonstrate with a simple but general pulse program how to uncover these correspondences a priori in the general case. From this, we deduce a correspondence table between the spin-dynamic phases used in NMR theory and simulation on the one hand and pulse program phases of current commercial spectrometers on the other. As a practical application of these results, we analyze implementations of the original (1)H-(15)N TROSY experiment and illustrate how steady-state magnetization can be predictably, rather than empirically, added to a desired component. We show why and under which circumstances a literal adoption of phases from published sequences can lead to incorrect results. We suggest that pulse sequences should be consistently given with spin-dynamically correct (physical) phases, rather than in spectrometer-specific (software) syntax.     

Characterisation of the reduction properties of La0.5Sr0.5Fe0.5Co0.5O3

We report here on the characterisation by temperature programmed reduction, ⁵⁷Fe Mössbauer spectroscopy and X-ray absorption spectroscopy of the phases resulting from treatment of the perovskite-related material La_0.5Sr_0.5Fe_0.5Co_0.5O₃ in a flowing 90% hydrogen/10% nitrogen atmosphere. The results show that treatment of La_0.5Sr_0.5Fe_0.5Co_0.5O₃ (which contains approximately 50% Fe⁴⁺ and 50% Fe³⁺) in the flowing 90% hydrogen/10% nitrogen atmosphere at 600°C does not result in the reduction of any of the constituent elements of the material and that the perovskite structure is still retained. The Mössbauer spectrum recorded following heating in the gaseous reducing environment at 1,000°C shows the presence of metallic iron, an Fe³⁺-containing phase with parameters compatible with the presence of SrLaFeO₄ which has a K₂NiF₄-type structure, and a paramagnetic Fe³⁺ phase. The X-ray absorption spectroscopy results show the presence of metallic cobalt. The Mössbauer spectrum recorded following heating at 1,200°C continues to show the Fe³⁺-containing components plus a larger contribution from metallic iron. The X-ray absorption spectroscopy results show the presence of metallic cobalt, SrLaFeO₄, La₂O₃ and SrO.     

Cooper pairs? magnetic moment in MCFL color superconductivity

We investigate the effect of the alignment of the magnetic moments of Cooper pairs of charged quarks that form at high density in three-flavor quark matter. The high-density phase of this matter in the presence of a magnetic field is known to be the Magnetic Color-Flavor-Locked (MCFL) phase of color superconductivity. We derive the Fierz identities of the theory and show how the explicit breaking of the rotational symmetry by the uniform magnetic field opens new channels of interactions and allows the formation of a new diquark condensate. The new order parameter is a spin-1 condensate proportional to the component in the field direction of the average magnetic moment of the pairs of charged quarks. The magnitude of the spin-1 condensate becomes comparable to the larger of the two scalar gaps in the region of large fields. The existence of the spin-1 condensate is unavoidable, as in the presence of a magnetic field there is no solution of the gap equations with nonzero scalar gaps and zero magnetic moment condensate. This is consistent with the fact that the extra condensate does not break any symmetry that has not already been broken by the known MCFL gaps. The spin-1 condensate enhances the condensation energy of pairs formed by charged quarks and the magnetization of the system. We discuss the possible consequences of the new order parameter on the issue of the chromomagnetic instability that appears in color superconductivity at moderate density.     

Reentrant isotropic-calamitic nematic phase transition in potassium laurate-decanol- D<Subscript>2</Subscript>O mixtures

The phase diagram is an interesting field of research, particularly in lyotropic liquid crystals (LLC). In this way, one of the most important phase diagrams of this LLC system was reported by Yu and Saupe. Two uniaxial (calamitic--N(C) and discotic--N(D)) and one biaxial nematic (N(B)) phases were determined by these authors. Furthermore, in this phase diagram the classical isotropic phase (I was observed at high temperature as well as a reentrant isotropic phase (I(RE)) which takes place at lower temperature. Later, this phase diagram was also studied by several authors and in all cases the I(RE)-N(C)-I phase transitions were not observed. In this work, we present a study of this phase diagram through digital image processing and refractometry optical techniques. The occurrence of these phase transitions is investigated and characterized. In addition, the order parameter is obtained based on the Vuks hypothesis from a particular point, in the range of the N(C) phase, where the absolute value of the optical birefringence (Deltan is maximum.     

Towards the synthesis of MAX-phase functional coatings by pulsed laser deposition

Pulsed laser deposition with a Nd:YAG laser was used to grow thin films from a pre-synthesized Ti₃SiC₂ MAX-phase formulated ablation target on oxidized Si(1 0 0) and MgO(1 0 0) substrates. The depositions were carried out in a substrate temperature range from 300 to 900 K, and the pressure in the deposition chamber ranged from vacuum (10⁻⁵ Pa) to 0.05 Pa Argon background pressure. The properties of the films have been investigated by Rutherford backscattering spectrometry for film thickness and stoichiometric composition and X-ray diffraction for the crystallinity of the films. The silicon content of the films varied with the energy density of the laser beam. To suppress especially the silicon re-sputtering from the substrate, the energy of the incoming particles must be below a threshold of 20 eV. Therefore, the energy density of the laser beam must not be too high. At constant deposition energy density the film thickness depends strongly on the background pressure. The X-ray diffraction measurements show patterns that are typical of amorphous films, i.e. no Ti₃SiC₂ related reflections were found. Only a very weak TiC(2 0 0) reflection was seen, indicating the presence of a small amount of crystalline TiC.     

铈掺杂钆镓铝石榴石相玻璃陶瓷的光学及光谱参数

根据X射线衍射图谱对铈掺杂的钆镓铝石榴石相玻璃陶瓷的晶体结构进行分析,采用直径10英寸积分球结合CCD(charge coupled device)探测器系统,对蓝色半导体发光二极管激发下铈掺杂钆镓铝石榴石相玻璃陶瓷的荧光光谱进行测试,解析出样品发光的绝对光谱功率分布,推导出光量子数分布,求得荧光量子产率和组合白光的色坐标及其相关色温。结果表明,所调查的铈掺杂钆镓铝石榴石相玻璃陶瓷在蓝光LED激发下的荧光量子产率为29.2%,所获得组合白光的色坐标x=0.319,y=0.349,相关色温为6 086K。尽管该混晶陶瓷的荧光量子产率稍小于铈掺杂YAG玻璃陶瓷,但其与蓝光LED组合后发光的色温也明显低于后者,从而为舒适型LED照明玻璃陶瓷的进一步优化提供了新思路。     

一种用于衍射光元件优化设计的快速算法的研究

讨论了傅里叶迭代算法对初始相位敏感的缺陷机理,提出用伪随机相位编码作为傅里叶迭代算法初始值的改进算法来克服相位敏感缺陷。改进算法具有加快迭代收敛速度、提高恢复图像强度准确性的优点。将该算法产生的任意期望图样的相位全息图写入纯相位液晶空间光调制器上,在远场成功地再现了期望图样。算法迭代10次可产生衍射效率接近85%的一幅相位全息图。作为一种快速相位恢复算法它在相控阵激光雷达以及光束敏捷偏转等领域有重要意义。     

Induced twisted-grain-boundary phases in the binary mixtures of a cholesteric and a nematic compound

Thermodynamical, optical-texture and dielectric studies have been performed to study the phase diagram of the binary system of 5-cholesten-3β-ol-octanoate and 4-n-nonyloxybenzoic acid. It is observed that low concentrations of 5-cholesten-3β-ol-octanoate (2–30?mol?%) in 4-n-nonyloxybenzoic acid induce a mean-field phase diagram derived by Renn within the framework of the chiral Chen–Lubenski model. Various optical textures of the twisted-grain-boundary (TGB) phases under different conditions of molecular anchoring have been observed. Weak transitions related to the TGB phases have been detected by temperature dependent dielectric spectroscopy.     

Spin–gravity coupling and gravity-induced quantum phases

External gravitational fields induce phase factors in the wave functions of particles. The phases are exact to first order in the background gravitational field, are manifestly covariant and gauge invariant and provide a useful tool for the study of spin–gravity coupling and of the optics of particles in gravitational or inertial fields. We discuss the role that spin–gravity coupling plays in particular problems.     

Coexistence of phases in Ising ferromagnets

We derive a new inequality for ferromagnetic Ising spin systems and then use it to obtain information about the number of phases which can coexist in such systems. We show in particular that for even interactions only two phases (up and down magnetization) can coexist below the critical temperature at zero magnetic field (h=0) whenever the energy is a continuous function of the temperature. We also prove that the derivatives with respect toh ath=0 of the odd correlation functions (triplet,...) diverge like the susceptibility in the vicinity of the critical temperature (at least for pair interactions). Our results also apply to higher order Ising spins (not just spin 1/2).Research supported in part by NSF Grant #MPS 75-20638 and USAFOR Grant #73-2430D.John Simon Guggenheim Fellow.