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MD and OKMC simulations of the displacement cascades in nickel

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Nuclear Science and Techniques 2016年第3期27卷 53-57页

作者： Wen-jing Xiao Gui-Yan wu Mei-Heng Li hui-Qiu Deng wei zhang ping Huai wang-Yu Hu Department of Applied Physics School of Physics and ElectronicsHunan UniversityChangsha 410012China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China

The molecular dynamics(MD) method was used to investigate the displacement cascades with primary knock-on atom(PKA) energies of 2-40 keV at 100 and600 *** migration energy of defects and their clusters was calculated by nudged elastic band(NEB) *** kinetic Monte Carlo(OKMC) was used to simulate the evolution of defects in Ni under *** each annealing stage,the recombination mechanism was discussed and evolution of the defects under different cascade conditions was *** was found that the defects generated in high-temperature cascades are more stable than those in the low-temperature *** addition,almost all the defects are annihilated during annealing process at low PKA *** PKA energy of 20-40 keV,however,a large number of defects would remain after annealing.

关键词： kmc模拟子位移级联 MD 缺陷演化分子动力学退火过程重组机制

Comparison of Stretta procedure and toupet fundoplication for gastroesophageal reflux disease-related extra-esophageal symptoms

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World Journal of Gastroenterology 2015年第45期21卷 12882-12887页

作者： Chao Yan wei-Tao Liang zhong-gao wang Zhi-wei Hu Ji-Min wu Chao zhang Mei-ping Chen Department of Gastroesophageal Reflux Disease Second Artillery General Hospital of Chinese People’s Liberation Army Department of Vascular Surgery Xuan Wu Hospital Capital Medical University

AIM: To compare the outcomes between the Stretta procedure and laparoscopic toupet fundoplication(LTF) in patients with gastroesophageal reflux disease(GERD)-related extra-esophageal ***: From January 2011 to February 2012, a total of 98 patients diagnosed with GERD-related extra-esophageal symptoms who met the inclusion criteria were enrolled in this study. All patients who either underwent the Stretta procedure or LTF treatment have now completed the 3-year follow-up. Primary outcome measures, including frequency and severity of extra-esophageal symptoms, proton pump inhibitor(PPI) use, satisfaction, and postoperative complications, were assessed. The results of the Stretta procedure and LTF therapy were analyzed and ***: There were 47 patients in the Stretta group and 51 patients in the LTF group. Ninety patients were available at the 3-year follow-up. The total of the frequency and severity scores for every symptom improved in both groups(P 0.05). However, the score for globus hysterics was different between the Stretta group and the LTF group(4.9 ± 2.24 vs 3.2 ± 2.63, P < 0.05). After the Stretta procedure and LTF treatment, 29 and 33 patients in each group achieved PPI therapy independence(61.7% vs 64.7%, P = 0.835). The patients in the LTF group were more satisfied with their quality of life than those in the Stretta procedure group(P < 0.05). Most complications resolved without intervention within two weeks; however, two patients in the LTF group still suffered from severe dysphagia 2 wk after the operation, and it improved after bougie dilation treatment in both ***: The Stretta procedure and LTF were both safe and effective for the control of GERD-related extra-esophageal symptoms and the reduction of PPI use.

关键词： Gastroesophageal reflux disease Extraesophageal sy

Deformation mechanisms for a new medium-Mn steel with 1.1 GPa yield strength and 50% uniform elongation

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Journal of Materials Science & Technology 2023年第1期132卷 110-118页

作者： wei wang Yanke Liu Zihan zhang Muxin Yang Lingling Zhou jing wang ping Jiang Fuping Yuan Xiaolei wu State Key Laboratory of Nonlinear Mechanics Institute of MechanicsChinese Academy of SciencesBeijing 100190China School of Engineering Sciences University of Chinese Academy of SciencesBeijing 100049China

A new medium-Mn steel was designed to achieve unprecedented tensile properties,with a yield strength beyond 1.1 GPa and a uniform elongation over 50%.The tensile behavior shows a heterogeneous deforma-tion feature,which displays a yield drop followed by a large Lüders band strain and several Portevin-Le Châtelier *** strain hardening mechanisms for excellent tensile properties were ***,non-uniform martensite transformation occurs only within a localized deformation band,and ini-tiation and propagation of every localized deformation band need only a small amount of martensite transformation,which can provide a persistent and complete transformation-induced-plasticity effect dur-ing a large strain ***,geometrically necessary dislocations induced from macroscopic strain gradient at the front of localized deformation band and microscopic strain gradient among various phases provide strong heter-deformation-induced ***,martensite formed by displacive shear trans-formation can inherently generate a high density of mobile screw dislocations,and interstitial C atoms segregated at phase boundaries and enriched in austenite play a vital role in the dislocation multipli-cation due to the dynamic strain aging effect,and these two effects provide a high density of mobile dislocations for strong strain hardening.

关键词： Medium-Mn steel Strain hardening Ductility Martensite transformation Strain gradient Mobile dislocations

Origin of facies-controlled dolomite and exploration significance of the Middle Permian Qixia Formation in central Sichuan Basin, Western China

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Petroleum Science 2024年第5期21卷 2927-2945页

作者： Xiao-Liang Bai Long Wen Yong-Mei zhang Xi-Hua zhang jing wang Yan-Gui Chen Si-Qiao Peng wei wang Jia-Yi zhong Ya Li ping gao Research Institute of Exploration and Development PetroChina Southwest Oil and Gas Field CompanyChengdu610051SichuanChina State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Chengdu University of TechnologyChengdu610059SichuanChina College of Energy(College of Modern Shale Gas Industry) Chengdu University of TechnologyChengdu610059SichuanChina Exploration Division PetroChina Southwest Oil and Gas Field CompanyChengdu610051SichuanChina

The intraplatform shoal dolomite of the Middle Permian Qixia Formation is currently considered the key target of hydrocarbon exploration in the central Sichuan Basin. To systematically investigate the origin of the stratabound facies-controlled porous dolomites of the Qixia Formation, integrated petrography,logging and seismic analysis were carried out in this work. The results are as following:(1) the dolomite reservoir is universal in the central Sichuan Basin, and its distribution is controlled by intraplatform shoals, with multilayer superposition vertically. Thick massive dolostone may also develop along with the fault.(2) Three replaced dolomites and one dolomite cement were identified: very finely to finely crystalline, anhedral to subhedral dolomite(Rd1);finely to medium crystalline, anhedral to subhedral dolomite(Rd2);coarsely crystalline, subhedral to euhedral dolomite(Rd3) and coarsely crystalline saddle dolomite cement(Sd). Rd2 and Rd3 are partly fabric-retentive, and preserve the original bioclastic ghosts. Sd shows wavy extinction, filled in the breccia veins.(3) The U-Pb dating and homogenization temperatures results indicate that the dolomite and Sd cement are associated with hydrothermal event during the Emeishan large igneous province. The δ^(13)C,^(87)Sr/^(86)Sr, and seawater-like REEY patterns suggest that the dolomitization and Sd precipitation fluids originate from connate seawater heated by elevated heat-flow.(4) The ELIP triggered large scale thermal anomalies in the basin during the Dongwu movement period. The increased temperature and pressure drove the formation water in the intra-platform shoal facies and overcame the binding effect of Mg^(2+) hydrate. Moreover, the deep hydrothermal fluid preferentially penetrated into the porous strata of shoal facies along the faults and fractures, mixed with formation water to some extent, and extensive dolomitization occurred. The facies-controlled dolomite reservoir and the underlying Cambrian sourc

关键词： Central sichuan basin Qiaxia formation Facies-controlled dolomite Hydrothermal fluids Connate seawater

Trivalent Ni oxidation controlled through regulating lithium content to minimize perovskite interfacial recombination

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Rare Metals 2022年第1期41卷 96-105页

作者： Jin-Jin Zhao Xiao Su Zhou Mi Ying zhang Yan-Jun Hu Hua-Jun Guo Yi-Nan Jiao Yu-Xia zhang Yan Shi wei-zhong Hao jing-wei wu Yi wang Cun-Fa gao Guo-zhong Cao School of Materials Science and Engineering School of Mechanical EngineeringShijiazhuang Tiedao UniversityShijiazhuang 050043China School of Materials Science and Engineering Hebei Key Laboratory of Material Near Net Forming TechnologyHebei University of Science and TechnologyShijiazhuang 050018China State Key Laboratory of Mechanics and Control of Mechanical Structures Nanjing University of Aeronautics and AstronauticsNanjing 210016China Department of Materials Science and Engineering University of WashingtonSeattleWA 98195-2120USA

Organic–inorganic hybrid perovskite solar cells,one of the most promising photovoltaic devices,have made great progress in their efficiency and preparation *** this study,uniform,highly conductive Li_(n)NiO_(x)(0≤n≤1;0ping,controlled interfacial oxidation was induced by Ni^(3+).The Li_(0.32)NiO_(x)inhibited charge recombination,reduced the defect density,and enhanced the photocurrent density.A maximum power conversion efficiency of 20.44%was obtained by Li_(0.32)NiO_(x).Further,in the long-term,in-air stabilities of unencapsulated Li_(n)-NiO_(x) perovskite solar cells were demonstrated.

关键词： Lithium ions Ni^(3+) Oxidized defect Photocurrent Perovskite solar cells

The Mechanisms of Pei-yuan-Tong-nao Capsule as a Therapeutic Agent against Cerebrovascular Disease

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World Journal of Traditional Chinese Medicine 2020年第3期6卷 331-340页

作者： Yu wei Xiao-jing Fan Ming-hui zhang Mai-Qiu wu wei Li ping wang wei Xiong Jian-ping Lin State Key Laboratory of Medicinal Chemical Biology College of Pharmacy and Tianjin Key Laboratory of Molecular Drug ResearchNankai University Department of Cerebral Acupuncture The Second Affiliated Hospital of Tianjin University of Traditional Chinese Medicine Department of Neurology Dongzhimen HospitalBeijing University of Chinese MedicineBeijing Platform of Pharmaceutical Intelligence Tianjin International Joint Academy of Biomedicine The Henan Lingrui Pharmaceutical Co. Henan ProvinceChina Biodesign Center Tianjin Institute of Industrial BiotechnologyChinese Academy of SciencesTianjin

Objective:Pei-Yuan-Tong-Nao(PYTN)capsule has been widely used for the treatment of cerebrovascular disease(CVD),including cerebral ***,due to the complexity of traditional Chinese Medicine(TCM)and the lack of proper inspection methods,the pharmacological mechanisms of the actions of PYTN capsule on CVD remain *** this investigation,a network pharmacology method was used to investigate the mechanism of action of PYTN capsule in the treatment of ***:In this method,a chemical similarity ensemble approach was employed to predict putative targets for chemicals derived from PYTN ***:Thus,a total of 351 compounds and 650 proteins were identified as potential active ingredients and putative CVD-related *** addition,two interaction networks were constructed,including a network between putative targets of PYTN capsule and known CVD-related targets,and a network between candidate active compounds and putative CVD-related ***:The mechanism of PYTN capsule in the treatment of CVD was found to be based on three functional modules,namely,antioxidation,anti-inflammation,and antiapoptosis modules through multiple signaling pathways,such as PI3 K-Akt,mitogen-activated protein kinase,and TNF signaling *** hope that this work can provide insight into the pharmacological mechanisms of TCMs in the treatment of CVD and provide a basis for further development and the discovery of more effective clinical strategies for the treatment of complicated diseases.

关键词： Cerebrovascular disease mechanism network pharmacology Pei-Yuan-Tong-Nao traditional Chinese medicine

Non-centrosymmetric topological phase probed by non-linear Hall effect

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National Science Review 2024年第6期11卷 180-188页

作者： Naizhou wang jing-Yang You Aifeng wang Xiaoyuan Zhou Zhaowei zhang Shen Lai Yuan-ping Feng Hsin Lin Guoqing Chang wei-bo gao Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University Department of Physics National University of Singapore Low Temperature Physics Laboratory College of Physics and Center for Quantum Materials and Devices Chongqing University Centre for Advanced 2D Materials National University of Singapore Institute of Physics Academia Sinica The Photonics Institute and Centre for Disruptive Photonic Technologies Nanyang Technological University

Non-centrosymmetric topological material has atracted intense atention due to its superior characteristics as compared with the centrosymmetric one, although probing the local quantum geometry in non-centrosymmetric topological material remains challenging. The non-linear Hall（NLH） effect provides an ideal tool to investigate the local quantum geometry. Here, we report a non-centrosymmetric topological phase in ZrTe5, probed by using the NLH effect. The angle-resolved and temperature-dependent NLH measurement reveals the inversion and ab-plane mirror symmetries breaking at <30 K, consistently with our theoretical calculation. Our findings identify a new non-centrosymmetric phase of ZrTe5and provide a platform to probe and control local quantum geometry via crystal symmetries.

关键词： non-linear Hall effect topological insulator ZrTe5

Eco-friendly non-acid intercalation and exfoliation of graphite to graphene nanosheets in the binary-peroxidant system for EMI shielding

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Chinese Chemical Letters 2021年第11期32卷 3469-3473页

作者： ping wang Bin Guo Zhi zhang weinan gao wei Zhou Huaxin Ma Wenyu wu Junfeng Han Ruijun zhang State Key Laboratory of Metastable Materials Science and Technology Yanshan UniversityQinhuangdao 066004China Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement Ministry of EducationSchool of PhysicsBeijing Institute of TechnologyBeijing 100081China

The development of the preparation strategy for high-quality and large-size graphene via eco-friendly routes is still a challenging ***,we have successfully developed a novel route to chemically exfoliate natural graphite into high-quality and large-size graphene in a binary-peroxidant *** system is composed of urea peroxide(CO(NH_(2))_(2)·H_(2)O_(2))and hydrogen peroxide(H_(2)O_(2)),where CO(NH_(2))_(2)·H_(2)O_(2)is used in preparing graphene for the first *** from the complete decomposition of CO(NH_(2))_(2)·H_(2)O_(2)and H_(2)O_(2)into gaseous species under microwave(MW)irradiation,no water-washing and effluent-treatment are needed in this chemical exfoliation procedure,thus the preparation of graphene in an eco-friendly way is *** resultant graphene behaves a large-size,high-quality and few-layer feature with a yield of~100%.Then 4µm-thick ultrathin graphene paper fabricated from the as-exfoliated graphene is used as an electromagnetic interference(EMI)shielding *** its absolute effectiveness of EMI shielding(SSE/t)is up to 34,176.9 dB cm^(2)/g,which is,to the best of our knowledge,among the highest values so far reported for typical EMI shielding *** EMI shielding performance demonstrates a great application potential of graphene paper in meeting the ever-increasingly EMI shielding demands in miniaturized electronic devices.

关键词： Graphene exfoliation Eco-friendly Graphene paper EMI shielding

An Interfacial Dynamic Crosslinking Approach toward Catalyst-free and Mechanically Robust Elastomeric Vitrimer with a Segregated Structure

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Chinese Journal of Polymer Science 2021年第2期39卷 201-210,I0007页

作者： Yong Zhu jing-Li gao Lin-Jun zhang Yan Peng Hao wang Fang-wei Ling Guang-Su Huang Jin-Rong wu State Key Laboratory of Polymer Materials Engineering College of Polymer Science and EngineeringSichuan UniversityChengdu 610065China

Elastomeric vitrimers with covalent adaptable networks are promising candidates to overcome the intrinsic drawbacks of conventional covalently-crosslinked elastomers;however, most elastomeric vitrimers show poor mechanical properties and require the addition of exogenous catalysts. Herein, we fabricate a catalyst-free and mechanically robust elastomeric vitrimer by constructing a segregated structure of sodium alginate (SA) in the continuous matrix of epoxidized natural rubber (ENR), and further crosslinking the composite by exchangeable hydroxyl ester bonds at the ENR-SA interfaces. The manufacturing process of the elastomeric vitrimer is facile and environmentally friendly without hazardous solvents or exogenous catalysts, as the abundant hydroxyl groups of the segregated SA phase can act as catalyst to activate the crosslinking reaction and promote the dynamic transesterification reaction. Interestingly, the segregated SA structure bears most of the load owing to its high modulus and small deformability, and thus ruptures preferentially upon deformation, leading to efficient energy ***, the periodic stiffness fluctuation between rigid segregated SA phase and soft ENR matrix is beneficial to the crack-resisting. As a result,the elastomeric vitrimer manifests exceptional combination of catalyst-free, defect-tolerance, high tensile strength and toughness. In addition,the elastomeric vitrimer also exhibits multi-shape memory behavior which may further broaden its applications.

关键词： Tough Defect-tolerant Elastomeric vitrimer Interfacial dynamic crosslinks Segregated structure