Theoretical studies of 63Cu Knight shifts of the normal state of YBa2Cu3O7

The 63Cu Knight shifts and g factors for the normal state of YBa2Cu3O7 in tetragonal phase are theoretically studied in a uniform way from the high (fourth-) order perturbation formulas of these parameters for a 3d9 ion under tetragonally elongated octahedra. The calculations are quantitatively correlated with the local structure of the Cu2+(2) site in YBa2Cu3O7. The theoretical results show good agreement with the observed values, and the improvements are achieved by adopting fewer adjustable parameters as compared to the previous works. It is found that the significant anisotropy of the Knight shifts is mainly attributed to the anisotropy of the g factors due to the orbital interactions.Comment: 5 page

Investigations of the g factors and local structure for orthorhombic Cu^{2+}(1) site in fresh PrBa_{2}Cu_{3}O_{6+x} powders

The electron paramagnetic resonance (EPR) g factors g_x, g_y and g_z of the orthorhombic Cu^{2+}(1) site in fresh PrBa_{2}Cu_{3}O_{6+x} powders are theoretically investigated using the perturbation formulas of the g factors for a 3d^9 ion under orthorhombically elongated octahedra. The local orthorhombic distortion around the Cu^{2+}(1) site due to the Jahn-Teller effect is described by the orthorhombic field parameters from the superposition model. The [CuO6]^{10-} complex is found to experience an axial elongation of about 0.04 {\AA} along c axis and the relative bond length variation of about 0.09 {\AA} along a and b axes of the Jahn-Teller nature. The theoretical results of the g factors based on the above local structure are in reasonable agreement with the experimental data.Comment: 6 pages, 1 figur

Hydrogenated Si12Au20 cluster as a molecular sensor with high performance for NH3 and NO detection: A first-principle study

Using density functional theory (DFT) calculations, we investigated the adsorption of NH3, NO, CH4, CO2, H2, N2, H2O, and O2 molecules on the (hydrogenated) Si12Au20 cluster with the aim of finding a promising molecular sensor for NH3 and NO detection. The Si12Au20 cluster could be a disposable molecular sensor for NH3 and NO because of its long recovery time (over 3 h). To improve the recovery time, we considered the hydrogenation of Si atoms in the Si12Au20 cluster to reduce the strength of the adsorption of NH3 and NO. The vibrational frequency analysis, molecular dynamics simulations and electronic properties show that the H12Si12Au20 (HSA) structure is highly stable. NH3 and NO are chemisorbed on HSA with moderate adsorption energies and evident charge transfer, while the other molecules are all physiosorbed on HSA. Our results show that the electrical conductivities of HSA will change dramatically due to the adsorption of NH3 and NO molecules. The recovery time of HSA is predicted to be very short at 300 K. To have a comprehensive comparison with the above results, we also considered different coverages of NO or NH3 molecules adsorbed on HSA, and the adsorption of NO and NH3 on the Au32 and Si32 clusters. We found that Au32 and Si32 clusters are not suitable for NO and NH3 detection. We predict that HSA should be a promising gas sensor with high performance for NH3 and NO detection at low coverage for future experimental validation

Investigations of the EPR parameters for the tetrahedral [FeX_4]^- clusters in AgX (X=Cl, Br)

The EPR parameters g factors and the superhyperfine parameters for the tetrahedral [FeX_4]^- clusters in AgX (X=Cl, Br) are theoretically investigated from the perturbation formulas of these parameters for a 3d^5 ion under tetrahedra by considering both the crystal-field and charge transfer contributions. The related model parameters are quantitatively determined from the cluster approach in a uniform way. The g-shift \Delta g (=g-g_s, where g_s\approx 2.0023 is the spin only value) from the charge transfer contribution is opposite (positive) in sign and much larger in magnitude as compared with that from the crystal-field one. The importance of the charge transfer contribution increases rapidly with increasing the covalency and the spin-orbit coupling coefficient of the ligand and thus exhibits the order of AgCl<AgBr. The unpaired spin densities of the halogen ns, np\sigma\ and np\pi\ orbitals are quantitatively determined from the related molecular orbital coefficients based on the cluster approach.Comment: 8 page

Towards Impartial Multi-task Learning

Multi-task learning (MTL) has been widely used in representation learning. However, naively training all tasks simultaneously may lead to the partial training issue, where specific tasks are trained more adequately than others. In this paper, we propose to learn multiple tasks impartially. Specifically, for the task-shared parameters, we optimize the scaling factors via a closed-form solution, such that the aggregated gradient (sum of raw gradients weighted by the scaling factors) has equal projections onto individual tasks. For the task-specific parameters, we dynamically weigh the task losses so that all of them are kept at a comparable scale. Further, we find the above gradient balance and loss balance are complementary and thus propose a hybrid balance method to further improve the performance. Our impartial multi-task learning (IMTL) can be end-to-end trained without any heuristic hyper-parameter tuning, and is general to be applied on all kinds of losses without any distribution assumption. Moreover, our IMTL can converge to similar results even when the task losses are designed to have different scales, and thus it is scale-invariant. We extensively evaluate our IMTL on the standard MTL benchmarks including Cityscapes, NYUv2 and CelebA. It outperforms existing loss weighting methods under the same experimental settings

Numerical modelling and field experimental validation of the axial load transfer on the drill-strings in deviated wells

This is the author accepted manuscript. The final version is available from Elsevier via the DOI in this recordThis paper studies the axial load transfer along the drill-strings in deviated wells by developing a finite element model based on the Euler beam theory and the augmentation Lagrangian contact algorithms. The model can simulate the entire drill-strings showing nonlinear contact model between drill-strings and casing. Special attention is given to the axial load loss, the pipe-casing contact force distribution and the slender pipe deformation. The efficacy of the proposed model is validated experimentally using a packer releasing procedure. Various drill-string factors, such as deviation angle, dogleg severity, hook load magnitude and buckling configurations, are considered for evaluating the efficiency of axial load transfer. Our analysis shows that the dogleg severity has a significant influence on the transfer, and the helical buckling of the drill-strings due to excessive loading could make it worse. This study provides a theoretical understanding of the variation of the contact force and the axial load transfer for the drill-strings in deviated wells. It can be used to better understand the working condition of downhole and guide field drilling.China Scholarship CouncilNational Natural Science Foundation of China (NFSC

GenDet: Meta Learning to Generate Detectors From Few Shots

Object detection has made enormous progress and has been widely used in many applications. However, it performs poorly when only limited training data is available for novel classes that the model has never seen before. Most existing approaches solve few-shot detection tasks implicitly without directly modeling the detectors for novel classes. In this article, we propose GenDet, a new meta-learning-based framework that can effectively generate object detectors for novel classes from few shots and, thus, conducts few-shot detection tasks explicitly. The detector generator is trained by numerous few-shot detection tasks sampled from base classes each with sufficient samples, and thus, it is expected to generalize well on novel classes. An adaptive pooling module is further introduced to suppress distracting samples and aggregate the detectors generated from multiple shots. Moreover, we propose to train a reference detector for each base class in the conventional way, with which to guide the training of the detector generator. The reference detectors and the detector generator can be trained simultaneously. Finally, the generated detectors of different classes are encouraged to be orthogonal to each other for better generalization. The proposed approach is extensively evaluated on the ImageNet, VOC, and COCO data sets under various few-shot detection settings, and it achieves new state-of-the-art results

Dynamics and Berry phase of two-species Bose-Einstein condensates

In terms of exact solutions of the time-dependent Schrodinger equation for an effective giant spin modeled from a coupled two-mode Bose-Einstein condensate (BEC) with adiabatic and cyclic time-varying Raman coupling between two hyperfine states of the BEC, we obtain analytic time-evolution formulas of the population imbalance and relative phase between two components with various initial states, especially the SU(2)coherent state. We find the Berry phase depending on the number parity of atoms, and particle number dependence of the collapse revival of population-imbalance oscillation. It is shown that self-trapping and phase locking can be achieved from initial SU(2) coherent states with proper parameters.Comment: 18 pages,5 figure

Characterization of brain blood flow and the amplitude of low-frequency fluctuations in major depressive disorder: A multimodal meta-analysis.

Background In healthy subjects, there is an association between amplitude of low-frequency fluctuations (ALFF) and regional cerebral blood flow (rCBF). To date, no published meta-analysis has investigated changes in the regional ALFF in medication-free depressed patients. Methods In this study, we aimed to explore whether resting-state rCBF and ALFF changes co-occur in the depressed brain without the potential confound of medication. Using signed differential mapping (SDM), we conducted two meta-analyses, one of rCBF studies and one of ALFF studies, involving medication-free patients with major depressive disorder (MDD). In addition, we conducted a multimodal meta-analysis to identify brain regions that showed abnormalities in both rCBF and ALFF. Results A total of 16 studies were included in this series. We identified abnormalities in resting-state rCBF and ALFF in the left insula in medication-free MDD patients compared with healthy controls (HC). In addition, we observed altered resting-state rCBF in the limbic-subcortical-cortical circuit and altered ALFF in the default mode network (DMN) and some motor-related brain regions. Limitations The analysis techniques, patient characteristics and clinical variables of the included studies were heterogeneous. Conclusions The conjoint alterations in ALFF and rCBF in the left insula may represent core neuropathological changes in medication-free patients with MDD and merit further studying