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Radiation-induced precipitation of transmutation elements rhenium/osmium and their effects on hydrogen behavior in tungsten
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Yu-Hao Li, Fang-Fei Ma, Fang-Ya Yue, Qing-Yuan Ren, Hong-Bo Zhou, Guang-Hong LuAbstractHere, we review recent computational findings focused on the behavior of transmutation elements (TEs) in Tungsten (W). W is chosen as one of the most promising materials for the divertor armor and plasma facing components in future fusion reactors. However, W in exposure of fusion neutrons can cause the transmutation reaction and produce TEs, such as rhenium and osmium. The presence of TEs can change chemical component o...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Uniaxial compression behavior and spectroscopic properties of energetic 1,1-diamino-2,2-dinitroethylene (FOX-7) crystals from density functional theory calculations
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Yan Su, Junyu Fan, Zhaoyang Zheng, Jijun ZhaoAbstractUsing dispersion-corrected density functional theory (DFT), we investigate the effect of uniaxial compression on 1, 1-diamino-2, 2-dinitroethene (FOX-7) crystal. Principal and shear stresses along the [100], [010], and [001] orientations exhibit considerable anisotropic compressibility. Raman spectra are complemented by DFT calculations in vibrational modes. Several abnormal pressure-induced changes in selected Raman modes are observed along the [100] or...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Youwei Wang, Erhong Song, Wujie Qiu, Xiaolin Zhao, Yao Zhou, Jianjun Liu, Wenqing ZhangAbstractThis review has been made an attempt to seek some observed descriptors to comprehensively optimize structural stability and catalytic activity of single-atom catalysts. Electronic structure analysis can reveal the underlying mechanisms of atomic phy-chemical properties and local coordination structures on binding strength. The free electrons around Fermi level play an important role to determine the binding stren...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Twinning, grain orientation, and texture variations in Mg alloy processed by pre-rolling
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Qingshan Yang, Qingwei Dai, Chao Lou, Jiahong Dai, Jianyue Zhang, Bin Jiang, Fusheng PanAbstractA pre-rolling (PR) process with a small pre-strain was applied along the transverse direction (TD) and the extrusion direction (ED) of non-basal and basal textured AZ61 Mg alloys at room temperature to investigate the induced twinning behavior. The microstructural evolution of the alloys was used to evaluate the grain-boundary effect in terms of the texture variation. The results demonstrated that {101¯2} exten...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Enhanced urease inhibition activity of Ag nanomaterials capped with N-substituted methyl 5-acetamido-β-resorcylate
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Syeda Sohaila Naz, Muhammad Raza Shah, Nazar Ul Islam, Syed Sartaj AlamAbstractMedically, bacterial ureases are important virulent factors and are used for treatment of peptic ulcers and urinary tones. Reported urease inhibitors are associated with various side effects including antibiotic resistance as a major one. Still there is an urgent need to synthesize new urease inhibitors. In this context we have synthesized new urease inhibitor i.e. AgL that is composed of Ag nanomaterials capped with N-substitut...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Anode material with Li-Si nano-domains in three-dimensional carbon network
Publication date: Available online 21 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Chao Hou, Ke Yang, Fawei Tang, Haibin Wang, Xuemei Liu, Xiaoyan SongAbstractA micro-nano combined composite with Li-Si alloy nano-domains in three-dimensional carbon network was prepared as a novel electrode material. The carbon network constrained the volume contraction and promoted effectively charge transfer of the whole active material. Meanwhile, the abundant interfaces between Li-Si alloy and carbon bound by Li-C ionic bonds, not only enhanced the delithiation at interface but also ensured the struct...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Controllable synthesis, XPS investigation and magnetic property of multiferroic BiMn2O5 system: The role of neodyme doping
Publication date: Available online 18 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): H. Felhi, M. Smari, A. Bajorek, K. Nouri, E. Dhahri, L. BessaisAbstractIn this work, a novel series of multiferroic materials BiMn2O5 doped by Neodyme has been prepared by a sol-gel method at low temperature. The crystallographic studies using X-ray diffraction and Rietveld Refinement techniques showed the formation of single-phase samples for all compositions, crystallizing in a mullite-type orthorhombic perovskite structure, space group Pbam (Z = 4). The SEM techniques confirmed the formation of sing...
Source: Progress in Natural Science: Materials International - April 19, 2019 Category: Materials Science Source Type: research

Enhanced electromagnetic absorption in ferrite and tantalum pentoxide based polypyrrole nanocomposite
Publication date: Available online 16 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Preeti Gairola, L.P. Purohit, S.P. Gairola, Preetam Bhardwaj, Shivani KaushikAbstractThe electromagnetic interference (EMI) shielding properties of polypyrrole/barium ferrite/tantalum pentoxide nanocomposite were studied in the X-band frequency range from 8.2 GHz to 12.4 GHz. The nanocomposites were chemically synthesized at room temperature and then characterized by various techniques. The dielectric material parameters were calculated based on the experimental scattering parameters using Nicholson–...
Source: Progress in Natural Science: Materials International - April 18, 2019 Category: Materials Science Source Type: research

Self-cleaning property of AZ31 Mg alloy during plasma electrolytic oxidation process
Publication date: Available online 10 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Jiaping Han, Carsten Blawert, Junjie Yang, Xiaopeng Lu, Jin Hu, Mikhail L. ZheludkevichAbstractThe rolling of metal sheet often leads to strong contamination of the resulting surface. The present work reports the effects of the surface contamination remaining after rolling of AZ31 Mg alloy on plasma electrolytic oxidation (PEO) treatment of the resulting sheet material. Results indicate that most of the contaminants on the surface of as-rolled AZ31 Mg alloy are removed in the early stages of PEO process. T...
Source: Progress in Natural Science: Materials International - April 12, 2019 Category: Materials Science Source Type: research

Deformation and damage features of a Re/Ru-containing single crystal nickel base superalloy during creep at elevated temperature
Publication date: Available online 10 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Guoqi Zhao, Sugui Tian, Shunke Zhang, Ning Tian, Lirong LiuAbstractThe deformation and damage features of a 4.5%Re/3.0%Ru-containing single crystal nickel-based superalloy during the creep in the temperature range of 1040–1070 °C and stress range of 137–180 MPa was investigated by means of creep properties measurement and contrast analysis of dislocation configuration. The results showed that the alloy exhibited a better creep resistance in the range of the testing temperatures and stresses, the d...
Source: Progress in Natural Science: Materials International - April 12, 2019 Category: Materials Science Source Type: research

Crystal and electronic structure study of the Li2Mn1-xNdxO3 battery cathode
Publication date: Available online 10 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Gültekin Çelik, Sevda Aktaş, Şule Ateş, O. Murat Özkendir, Wantana KlysubunAbstractNeodymium substituted Li2MnO3 samples were prepared by the solid-state reaction method. The crystal and electronic structure properties of the prepared samples were investigated by x-ray based techniques. According to the analysis, it was determined that Nd atoms did not sit in to the Cr coordinations in Nd substituted samples and built up a different crystal structure. To support the analysis of the crystal structure ...
Source: Progress in Natural Science: Materials International - April 12, 2019 Category: Materials Science Source Type: research

Room-temperature facile synthesis of MnO2 on carbon film via UV-photolysis for supercapacitor
Publication date: Available online 9 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Shiwei Liu, Kai Li, Xuebin ZhengAbstractA facile UV-photolysis method has been developed to synthesize birnessite-type MnO2 nanosheets on carbon film at room temperature for supercapacitor electrode materials. The results clearly demonstrated that the specific capacitance of carbon/MnO2 composite electrodes was controlled by the adjustable UV-photolysis reaction time in KMnO4 solution. For the optimized composite electrode obtained after 2 h reaction, a superior specific capacitance of 277 F g−1 was...
Source: Progress in Natural Science: Materials International - April 11, 2019 Category: Materials Science Source Type: research

Rational design of carbon shell-encapsulated cobalt nanospheres to enhance microwave absorption performance
Publication date: Available online 9 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Rambabu Kuchi, Monika Sharma, Sung Woo Lee, Dongsoo Kim, Namgee Jung, Jong-Ryul JeongAbstractCo@C core–shell nanospheres highly dispersed on carbon supports were rationally designed to improve the microwave absorbing property of the composite material, and fabricated by one pot thermal decomposition and simple annealing process. The Co nanospheres were completely encapsulated with thin carbon shells, which can effectively prevent the oxidation of the Co surface. Additionally, the particle size of Co nanos...
Source: Progress in Natural Science: Materials International - April 11, 2019 Category: Materials Science Source Type: research

Effects of Ce-rich RE on microstructure and mechanical properties of as-cast Mg-8Li-3Al-2Zn-0.5Nd alloy with duplex structure
Publication date: Available online 10 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Xiang Peng, Guohua Wu, Lv Xiao, Hao Ji, Jie Zhang, Wenbing Zou, Zhongquan Li, Wencai LiuAbstractThe effects of Ce-rich RE on the microstructure and mechanical properties of as-cast Mg-8Li-3Al-2Zn-0.5Nd-xRE (x = 0, 1, 2, 3 wt%) alloys were investigated. The results indicated that the as-cast Mg-8Li-3Al-2Zn-0.5Nd alloy mainly consisted of α-Mg, β-Li, AlLi, MgLi2Al and Al2Nd phases. With the addition of Ce-rich RE in the alloy, Al3RE and Al2RE phases generated and gradually grew into net-like or block...
Source: Progress in Natural Science: Materials International - April 11, 2019 Category: Materials Science Source Type: research

Synthesis characterization and improved electrochemical performance of Li2FeSiO4/C as cathode for lithium-ion battery by metal doping
Publication date: Available online 10 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Ling Li, Enshan Han, Shunpan Qiao, Hui Liu, Yake Shi, Weiliang YuanAbstractIn this paper, Li2FeSi0.98M0.02O4/C(M = Mg, Zn, Co, Mn, Ni) was synthesized as cathode material for lithium ion battery by solid-state method. The results show that the materials doped with Mg and Zn at the Si-sites have good initial discharge capacity. Then Li2FeSi1-xMxO4/C(M = Mg, Zn; x = 0.01, 0.02, 0.03, 0.05) were also synthesized via solid-state method. It is concluded that Li2FeSi0.99Mg0.01O4/C and Li2FeSi0.98Zn0....
Source: Progress in Natural Science: Materials International - April 11, 2019 Category: Materials Science Source Type: research