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Faceted interfaces: a key feature to quantitative understanding of transformation morphology

npj Computational Materials 2016年第1期2卷 44-57页

作者： Wen-Zheng Zhang Xin-Fu gu Fu-zhi Dai School of Materials Science and Engineering Tsinghua UniversityBeijingChina Institute for Materials Research Tohoku UniversitySendaiJapan Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials and Processing TechnologyBeijingChina

Faceted interfaces are a typical key feature of the morphology of many microstructures generated from solid-state phase ***,prediction and simulation of this faceted morphology remain a challenge,especially for systems where irrational orientation relationships(ORs)between two phases and irrational interface orientations(IOs)are *** terms of structural singularities,this work suggests an integrated framework,which possibly encompasses all candidates of faceted *** structural singularities are identified from a matching pattern,a dislocation structure and/or a ledge *** resultant singular interfaces have discrete IOs,described with low-index g’s(rational orientations)and/orΔg’s(either rational or irrational orientations).Various existing models are grouped according to their determined results regarding the OR and IO,and the links between the models are clarified in the integrated *** of defect types as far as possible in a dominant singular interface often exerts a central restriction on the *** irrational IO is usually due to the elimination of dislocations in one direction,i.e.,an O-line *** methods using both three-dimensional and two-dimensional models for quantitative determinations of O-line interfaces are reviewed,and a detailed example showing the calculation for an irrational interface is *** association between structural singularities and local energy minima is verified by atomistic calculations of interfacial energies in fcc/bcc alloys where it is found that the calculated equilibrium cross-sections are in a good agreement with observations from selected alloys.

关键词： transformation rational interface

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Urban Big Data and the Development of City Intelligence

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Engineering 2016年第2期2卷 171-178页

作者： Yunhe Pan Yun Tian Xiaolong Liu Dedao gu gang Hua Chinese Academy of Engineering Beijing 100088 China College o.flnformation Science and Technology Beijing ormal University Beijing 100875 China Department of Automation Tsinghua University Beijing 100084 China Ningbo Academy o/Smart City Development Ningbo Zhejiang 315048 China

This study provides a definition for urban big data while exploring its features and applications of Chi- na＇s city intelligence. The differences between city intelligence in China and the ＂smart city＂ concept in other countries are compared to highlight and contrast the unique definition and model for China＇s city intelligence in this paper. Furthermore, this paper examines the role of urban big data in city intel- ligence by showing that it not only serves as the cornerstone of this trend as it also plays a core role in the diffusion of city intelligence technology and serves as an inexhaustible resource for the sustained development of city intelligence. This study also points out the challenges of shaping and developing of China＇s urban big data. Considering the supporting and core role that urban big data plays in city intel- ligence, the study then expounds on the key points of urban big data, including infrastructure support, urban governance, public services, and economic and industrial development. Finally, this study points out that the utility of city intelligence as an ideal policy tool for advancing the goals of China＇s urban de- velopment. In conclusion, it is imperative that China make full use of its unique advantages-including using the nation＇s current state of development and resources, geographical advantages, and good hu- man relations-in subjective and objective conditions to promote the development of city intelligence through the proper application of urban big data.

关键词： Urban big data City intelligence Ternary space Construction emphases

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Mapping of geomorphic dynamic parameters for analysis of landslide hazards:A case of Yangbi river basin on the upper Lancang-Mekong of China

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Journal of Mountain Science 2021年第9期18卷 2402-2411页

作者： gu Zhen-kui YAO Xin YAO Chuang-chuang LI Cheng-gang Key Laboratory of Active Tectonics and Geological Safety Institute of GeomechanicsChinese Academy of Geological S ciencesMinistry of Natural ResourcesBeijing 100081China Research Center of Neotectonism and Crustal Stability China Geological SurveyBeijing 100081China Shandong Zhengyuan Geological Resources Exploration Co.Ltd. Jinan 250013China

Landslides are common hazards in orogenic belt ***,it is difficult to quantitatively express the driving effects of tectonic uplift and stream erosion on the occurrence of landslides on large spatial scales by conducting field *** this study,we analyzed a relatively large region that extends over the Yangbi River basin on the upper Lancang-Mekong in China.A series of quantitative indices,including kernel density of the landslide(KDL),hypsometric integral(HI),steepness index(ksn),stream power(?),and stream power gradient(ω)were used to explore the promoting effects of tectonic uplift and stream action intensity on landslides by mapping geomorphic dynamic parameters combined with actual landslide *** analysis showed that the HI value in the highest landslide risk area was approximately 0.47,and that the KDL in the region can be expressed as a function of steepness or stream power gradient of the channel network,namely,KDL=0.0127 Ln ksn-0.0167(R2=0.72,P<0.001)and KDL=0.0219 Lnω-0.0558(R2=0.21,P<0.02).Therefore,the lower reach of the Yangbi River basin,with higher steepness and stream power gradient,usually has a high uplifting rate and stream incision that drives landslides and causes the entire river network system to be in a stage of longterm active ***,the results suggest that sediments were being rapidly discharged from the steep tributary channels to the *** practical situation highlights that the downstream area of the river basin is a high-risk area for landslide hazards,especially in association with heavy rainfall and earthquakes.

关键词： Fluvial activity Tectonic uplift Steepness Landslide Lancang

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Studies on the Basic Conformation of Lysozyme by Electrospray Ionization-Mass Spectrometry(ESI-MS)

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Chemical Research in Chinese Universities 2001年第4期17卷 368-373页

作者： gu Sheng SHEN Jin-can ZHUANG zhi-xia WANG Xiao-ru Key Laboratory of Analytical Science of Ministry of Education Department of ChemistryXiamen UniversityXiamen 361005P.R.China

In the present work, 2-mercaptoethanol and dithiothreitol were used to hydrogenise the internal disulfide bond in lysozyme. The experimental results indicate that the charge distribution of the proteins are different in the reaction process. From the calculated molecular weight, the reduction process of the disulfide bond in the molecules can be described, and the number of the disulfide bonds in the molecule can also be determined.

关键词： Protein Disulfide Electrospray ionization Mass spectrometry

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Inferior pancreaticoduodenal artery pseudoaneurysm in a patient with calculous cholecystitis: A case report

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World Journal of Clinical Cases 2019年第18期7卷 2851-2856页

作者： Qiao-Dong Xu Song-gang gu Jia-Hong Liang Shao-Dong Zheng zhi-Hua Lin Pei-Dong Zhang Jiang Yan Department of Biliary-Pancreatic Minimally Invasive Surgery The First Affiliated Hospital of Shantou University Medical College

BACKGROUND Pancreaticoduodenal artery (PDA) aneurysms are extremely rare. The complicated clinical presentations and high incidence of rupture make it difficult to diagnose and treat. PDA pseudoaneurysms often rupture into the gastrointestinal tract and result in life-threatening gastrointestinal hemorrhage. CASE SUMMARY A 69-year-old man was admitted to our hospital due to right upward abdominal pain. A computed tomography (CT) scan demonstrated acute cholecystitis and cholecystolithiasis. Percutaneous gallbladder drainage was performed subsequently. He was discharged after 3 d and readmitted to hospital for cholecystectomy as arranged 1 mo later. A repeat CT scan revealed an emerging enhancing mass between the pancreatic head and the descending duodenum. Then, he suffered hematochezia and hemorrhagic shock suddenly. Emergency percutaneous angiogram was performed and selective catheterization of the superior mesenteric artery demonstrated a pseudoaneurysm in the inferior PDA. Coil embolization was performed and his clinical condition improved quickly after embolization and blood transfusion. He underwent laparoscopic cholecystectomy and was discharged from hospital after surgery under satisfactory conditions. CONCLUSION PDA pseudoaneurysms are uncommon. Acute haemorrhage is a severe complication of pseudoaneurysm with high mortality which clinicians should pay attention to.

关键词： Calculous cholecystitis Inferior pancreaticoduodenal artery pseudoaneurysm Gastrointestinal haemorrhage Coil embolization Case report

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DPP-4 Inhibitor Linagliptin is Neuroprotective in Hyperglycemic Mice with Stroke via the AKT/mTOR Pathway and Anti-apoptotic Effects

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Neuroscience Bulletin 2020年第4期36卷 407-418页

作者： gang Zhang Samuel Kim Xiaohuan gu Shan Ping Yu Ling Wei Department of Anesthesiology Emory University School of MedicineAtlantaGA 30322USA Department of Neurology Children's Hospital of Nanjing Medical UniversityNanjing 210000China Department of Neurology Emory University School of MedicineAtlantaGA 30322USA

Dipeptidyl peptidase 4 (DPP-4) inhibitors have been shown to have neuroprotective effects in diabetic patients suffering from stroke, but less research has focused on patients with mild hyperglycemia below the threshold for a diagnosis of diabetes. In this investigation, a hyperglycemic mouse model was generated by intraperitoneal injection of streptozotocin and then subjected to focal cerebral ischemia. We demonstrated that the DPP-4 inhibitor linagliptin significantly decreased the infarct volume, reduced neuronal cell death, decreased inflammation, and improved neurological deficit compared with control mice. Linagliptin up-regulated the expression of p-Akt and p-m TOR and regulated the apoptosis factors Bcl-2, Bax, and caspase 9. Taken together, these results suggest that linagliptin exerts a neuroprotective action likely through activation of the Akt/m TOR pathway along with anti-apoptotic and anti-inflammatory ***, linagliptin may be considered as a therapeutic treatment for stroke patients with mild hyperglycemia.

关键词： Cerebral ischemia Hyperglycemia DPP-4 inhibitor Linagliptin Neuroprotection

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Superconducting,Topological,and Transport Properties of Kagome Metals CsTi_(3)Bi_(5)and RbTi_(3)Bi_(5)

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Research 2024年第2期2023卷 753-762页

作者： Xin-Wei Yi Zheng-Wei Liao Jing-Yang You Bo gu gang Su School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Department of Physics Faculty of ScienceNational University of Singapore117551Singapore Kavli Institute for Theoretical Sciences and CAS Center for Excellence in Topological Quantum ComputationUniversity of Chinese Academy of SciencesBeijing 100190China

The recently discovered ATi_(3)Bi_(5)(A=Cs,Rb)exhibit intriguing quantum phenomena including superconductivity,electronic nematicity,and abundant topological ***_(3)Bi_(5)present promising platforms for studying kagome superconductivity,band topology,and charge orders in parallel with *** this work,we comprehensively analyze various properties of ATi_(3)Bi_(5)covering superconductivity under pressure and doping,band topology under pressure,thermal conductivity,heat capacity,electrical resistance,and spin Hall conductivity(SHC)using first-principles *** superconducting transition temperature(Tc)of CsTi_(3)Bi_(5)and RbTi_(3)Bi_(5)at ambient pressure are about 1.85 and 1.92 *** subject to pressure,Tc of CsTi_(3)Bi_(5)exhibits a special valley and dome shape,which arises from quasi-two-dimensional compression to three-dimensional isotropic compression within the context of an overall decreasing ***,Tc of RbTi_(3)Bi_(5)can be effectively enhanced up to 3.09 K by tuning the kagome van Hove singularities(VHSs)and flat band through *** can also induce abundant topological surface states at the Fermi energy(EF)and tune VHSs across ***,our transport calculations are in excellent agreement with recent experiments,confirming the absence of charge density ***,SHC of CsTi_(3)Bi_(5)can reach up to 226h·(e·Ω·cm)^(-1)at *** work provides a timely and detailed analysis of the rich physical properties for ATi_(3)Bi_(5),offering valuable insights for further experimental verifications and investigations in this field.

关键词： doping superconductivity conductivity

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Water Reducer: A Highly Dispersing Binder for High-Performance Lithium-Sulfur Batteries

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Chinese Journal of Chemistry 2021年第6期39卷 1523-1530页

作者： Xin Geng Ruihao Lin Xingxing gu zhi Su Chao Lai College of Chemistry and Chemical Engineering Xinjiang Normal UniversityUrumqiXinjiang 830054China School of Chemistry and Materials Science Jiangsu Normal UniversityXuzhouJiangsu 221116China Chongqing Key Laboratory of Catalysis and New Environmental Materials College of Environment and ResourcesChongqing Technology and Business UniversityChongqing 400065China

Sulfur has been paid close attention by the research and manufacturing as a cathode material for lithium-sulfur batteries(LSB)in recent decade because it has high specific capacity and low *** the low utilization of active materials and serious shuttle phenomenon inhibit its commercialization *** this work,for the first time,water reducers are reported as multifunctional binders to address the above problems to enhance the performance of *** to the synthetic actions of the water reducer binder,such as highly dispersing effect and good chemical trapping function,commercial sulfur powders are directly used as cathodes,and much better electrochemical performance compared to using the conventional binder polyvinylidene fluoride(PVDF)was obtained,among which the sulfur cathode with sulfonated melamine formaldehyde(SMF)water reducer binder exhibits a high reversible capacity of 625.5 mA·h·g^(-1) after 200 cycles at 1 C and the cathode with polycarboxylic acid(PC)water reducer binder even demonstrates a high area specific capacity of 5 mA·h·cm^(-2) at high sulfur loading of 5 mg·cm^(-2).These low-cost water reducers are a promising binder for LSB in the future.

关键词： Energy conversion Polymers Binder Polyanions Adsorption

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Thickness monitoring and discontinuous degradation mechanism of wear lining refractories for refining ladle

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Journal of Iron and Steel Research International 2022年第7期29卷 1110-1118页

作者： Yan-zhu Huo Hua-zhi gu Juan Yang Ao Huang Zheng Ma The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina School of Computer Science and Technology Wuhan University of Science and TechnologyWuhan 430081HubeiChina Zhejiang Zili High Temperature Technology Co. Ltd.Shaoxing 312300ZhejiangChina

As a functional metallurgical container for molten steel,refining ladle has a great influence on the smelting safety and quality of *** online monitoring of the residual thickness for ladle lining was applied to increase the smelting efficiency and *** is found that the ladle refractories show obvious discontinuous degradation characteristics through the monitoring ***,the degradation of low-carbon magnesia–carbon brick at slag line and corundum-based castable at steel bath was calculated according to the established corrosion model and crack propagation model,*** discontinuous degradation mechanism of the ladle refractories is illustrated,which is of great significance to the optimal configuration of the ladle lining refractories.

关键词： Refining ladle Refractory Discontinuous degradation Monitoring Modeling

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Metal-N_(4) model single‐atom catalyst with electroneutral quadri‐pyridine macrocyclic ligand for CO_(2) electroreduction

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Carbon Energy 2024年第8期6卷 122-133页

作者： Jian‐Zhao Peng Yin‐Long Li Yao‐Ti Cheng Fu‐zhi Li Bo Cao Qing Wang Xian Yue guo‐Tao Lai Yang‐gang Wang Jun gu Department of Chemistry Southern University of Science and TechnologyShenzhenGuangdongChina Institute for Catalysis Hokkaido UniversitySapporoJapan

Metal–N–C single‐atom catalysts,mostly prepared from pyrolysis of metalorganic precursors,are widely used in heterogeneous *** metal sites with diverse local structures coexist in this type of material and it is challenging to characterize the local structure,a reliable structure–property relationship is difficult to *** macrocyclic complexes adsorbed on carbon support are well‐defined models to mimic the singleatom ***–N_(4) site with four electroneutral pyridine‐type ligands embedded in a graphene layer is the most commonly proposed structure of the active site of single‐atom catalysts,but its molecular counterpart has not been *** this work,we synthesized the conjugated macrocyclic complexes with a metal center(Co,Fe,or Ni)coordinated with four electroneutral pyridinic ligands as model catalysts for CO_(2) *** comparison,the complexes with anionic quadri‐pyridine macrocyclic ligand were also *** Co complex with the electroneutral ligand expressed a turnover frequency of CO formation more than an order of magnitude higher than that of the Co complex with the anionic *** ab initio molecular dynamics simulations based on the well‐defined structures of the model catalysts indicate that the Co complex with the electroneutral ligand possesses a stronger ability to mediate electron transfer from carbon to CO_(2).

关键词： ab initio molecular dynamics CO_(2)reduction electrocatalysis model catalyst single‐atom catalyst

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