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The phase diagram of the CuInSe2-CuGaSe2 pseudobinary system was determined using a combination of special quasirandom structure approach, ab initio density functional theory calculations, and thermodynamic modelling. It is shown that the CuIn1–xGaxSe2 solution phase has a tendency to phase separation at low temperature. The calculated consolute temperature is 485 K. It is found that both the binodal and spinodal curves are significantly asymmetric and on both curves there are a local maximum and a local minimum, which have not been reported in the previous studies. Our phase diagram can well explain the finding that the inhomogeneity of CuIn0.25Ga0.75Se2 is higher than that of CuIn0.75Ga0.25Se2 at the same temperature, while the previous phase diagrams cannot. Hence, our phase diagram should be more reliable and applicable. [ABSTRACT FROM AUTHOR]

Fe-6.5wt%Si soft magnetic powder cores were prepared by using an improved bluing insulation method. A high-quality oxide insulation layer with good temperature stability was found to distribute continuously in the intervals between the Fe-Si particles. The effects of the annealing temperature and the compaction pressure on the core’s magnetic properties were investigated in detail. It was found that high temperature and low compaction pressure are beneficial to decrease the core’s inner stress and high compaction pressure is helpful to reduce the air gap. All the variations of the magnetic performance for the powder cores discussed in this paper were explained reasonably by considering these two factors. From the point of view of low loss, 760 °C and 2090 MPa were confirmed to be the relatively best annealing temperature and compaction pressure, respectively. The μe, the % μe at 100 Oe, and the loss at 50 kHz/1000 Gs for the core prepared under these two conditions are 63.57, 72.82%, and 547.66 mW/cm3, respectively. [ABSTRACT FROM AUTHOR]

The PbPd1 − xNixO2 nanograin films with different Ni-doping levels (x = 0.037–0.150) were synthesized by the sol–gel spin-coating method and an oxidation treatment. The films with a thickness of about 210 nm were found to be single phase with a body-centered orthorhombic structure and to possess a large number of Pb vacancies. High-temperature ferromagnetism discovered in these films can be maintained above 380 K. Paramagnetism was also found in the films with high Ni-doping levels. The analysis on the XANES spectra and their first derivatives offered the evidences for the facts that the film’s ferromagnetism is intrinsic and the increase in the Pb valence from 2+ towards 4+, caused by the appearance of large amount of Pb vacancies and low electronegativity of Pb2+ ion, provides magnetic moments to the film’s magnetism. A carrier-mediated mechanism bridged to the bound magnetic polaron model based on the Pb vacancies, the doped Ni ions and the Pb ions with a valence higher than 2+ was adopted to interpret the origin of the magnetism within these PbPd1 − xNixO2 nanograin films. The variation of the specific area of the grain boundary was believed to have a great influence on the proportions of the film’s ferromagnetism and paramagnetism. [ABSTRACT FROM AUTHOR]

The lattice structure, interface binding energy, density of states, charge density difference and Bader charges of Au (100)/CH3NH3PbI3 (MAPbI3) (100) interface were studied with the first-principles calculations. The lattice mismatch of the Au (100)/MAPbI3 (100) interface is 3.48%. The interface binding energy is −0.124 J/m2. There is a small amount of electronic states nearby the interface through analyzing the density of states of the interface. In addition, the atom orbital has hybridizations nearby the interface. Through analyzing charge density difference and Bader charges, it is found that there is obvious charge transfer at the interface. [ABSTRACT FROM AUTHOR]

The objective of this study was to assess whether vitamin D (VD) treatment alters the overall all-cause and cardiovascular mortalities in a chronic kidney disease (CKD) population. We systematically searched PubMed, EMBASE, Web of Science, and Cochrane Central Register of Controlled Trials without language restriction, until the publication date of 22 February 2016. All related literatures that compared VD treatment with non-VD treatment and reported the mortality of patients with CKD (including those undergoing dialysis) were identified. Pooled risk ratios (RR) and 95% confidence intervals (CI) were calculated by using the random- and fixed-effects models. Randomised controlled trials (RCTs) that used the intention-to-treat principle and observational studies (OSs) were analysed separately. For this study, 38 studies involving 223 429 patients (17 RCTs, n=1819 and 21 OSs, n=221610) were included. In the OSs, VD treatment was significantly associated with reductions in both all-cause and cardiovascular mortalities; however, such significant association was not found in the RCTs. The existing RCTs do not provide sufficient or precise evidence that VD supplementation affects the mortality of patients with CKD, although subsets of patients that could potentially benefit from VD treatment can be identified by using the existing data from the RCTs. Nevertheless, large-size RCTs are needed in the future to assess any potential differences in survival prospectively. [ABSTRACT FROM AUTHOR]

Neuropsychiatric (NP) events are severe manifestations of systemic lupus erythematosus (SLE) and relate to poor outcome. The aims of this study are to investigate the NP manifestations of SLE and to identify the predictive factors for clinical outcome. There was a retrospective review of 240 hospital patients with primary NP events of SLE (NPSLE) from 1990 to 2004. Neuropsychiatric manifestations, SLE disease activity index (SLEDAI) score, System lupus International Collaborating Clinic/American College of Rheumatology Damage Index (SLICC/ACR-DI) score, magnetic resonance imaging (MRI) findings, treatment and mortality rate were included for analysis. From this group of patients, 15 NP syndromes were identified. The most frequent manifestation was headache, followed by seizure. The mean SLEDAI and SLICC/ACR-DI scores were 19.9 ± 6.9 and 3.5 ± 1.6, respectively. Abnormal MRI features were found in 67% (61/91) patients. At least one intrathecal (IT) injection of methotrexate (MTX) plus dexamethasone (DXM) was administered to 109 (45.4%) patients. High dose (1 g) intravenous methylprednisolone pulse therapy (IVMP) was administered to 167 (69.5%) patients. Multifactor analysis revealed that high SLICC/ACR-DI scores and sets of concurrent NP symptoms were independently associated with poor outcome, whereas pulse IVMP and IT injection of MTX plus DXM were protective factors against poor outcome. From our data, NPSLE is heterogeneous and is usually associated with high disease activity and organ damage scores. High SLICC/ACR-DI score and having more than two sets of NP symptoms are the predictors for poor outcome, whereas pulse IVMP and IT injection of MTX plus DXM can improve the prognosis. [ABSTRACT FROM AUTHOR]

Accurate segmentation of the human vasculature is an important prerequisite for a number of clinical procedures, such as diagnosis, image-guided neurosurgery and pre-surgical planning. In this paper, an improved statistical approach to extracting whole cerebrovascular tree in time-of-flight magnetic resonance angiography is proposed. Firstly, in order to get a more accurate segmentation result, a localized observation model is proposed instead of defining the observation model over the entire dataset. Secondly, for the binary segmentation, an improved Iterative Conditional Model (ICM) algorithm is presented to accelerate the segmentation process. The experimental results showed that the proposed algorithm can obtain more satisfactory segmentation results and save more processing time than conventional approaches, simultaneously. [ABSTRACT FROM AUTHOR]

Atomistic simulation has been performed on La2-xSrxCuO4 to investigate its hole distribution and local structure in real space lattice. It is found that the holes introduced by Sr doping are more energetically favorable to form stripes than to be disordered. The authors verify two types of hole-stripe models (vertical and diagonal domain walls) and propose some other possible types of hole-stripe models, which are quarter or half filled. The local structure of hole stripes is found to be different from the average structure. Sr2+ ions are also found to have a thermodynamics tendency of ordering. [ABSTRACT FROM AUTHOR]

We calculate the generalized stacking fault (GSF) energies and cleavage energies γcl of the chalcopyrite compounds CuAlSe2, CuGaSe2, CuInSe2, CuGaS2 and CuGaTe2 using first principles. From the GSF energies, we obtain the unstable stacking fault energies γus and intrinsic stacking fault energies γisf. By analyzing γus and γisf, we find that the (1 1 2) direction is the easiest slip direction for these five compounds. Also, for CuInSe2, it is most possible to undergo a dislocation-nucleation-induced plastic deformation along the (1 1 2) slip direction. We show that the (1 1 2) plane is the preferable plane for fracture in the five compounds by comparing γcl of the (0 0 1) and (1 1 2) planes. It is also found that both γus and γcl decrease as the cationic or anionic radius increases in these chalcopyrites, i.e. along the sequences CuAlSe2 → CuGaSe2 → CuInSe2 and CuGaS2 → CuGaSe2 → CuGaTe2. Based on the values of the ratio γcl/γus, we discuss the brittle–ductile properties of these compounds. All of the compounds can be considered as brittle materials. In addition, a strong relationship between γcl/γus and the total proportion of ionic bonding in these compounds is found. [ABSTRACT FROM AUTHOR]