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Data-driven approach to predict the fatigue properties of ferrous metal materials using the cGAN and machine-learning algorithms

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Advances in Manufacturing 2024年第3期12卷 447-464页

作者： Si-Geng Li Qiu-Ren Chen Li Huang Min Chen Chen-Di Wei Zhong-Jie Yue ru-xue liu Chao Tong Qing liu School of Advanced Technology Xi’an Jiaotong-Liverpool UniversitySuzhou215123JiangsuPeople’s Republic of China Key Laboratory for Light-weight Materials Nanjing Tech UniversityNanjing210009People’s Republic of China Materials Bigdata and Application Division Material Academy JitriSuzhou215131JiangsuPeople’s Republic of China School of Mechanical Engineering Shanghai Jiao Tong UniversityShanghai200240People’s Republic of China

The stress-life curve(S–N)and low-cycle strain-life curve(E–N)are the two primary representations used to characterize the fatigue behavior of a *** material fatigue curves are essential for structural fatigue ***,conducting material fatigue tests is expensive and *** address the challenge of data limitations on ferrous metal materials,we propose a novel method that utilizes the Random Forest Algorithm and transfer learning to predict the S–N and E–N curves of ferrous *** addition,a data-augmentation framework is introduced using a conditional generative adversarial network(cGAN)to overcome data *** incorporating the cGAN-generated data,the accuracy(R2)of the Random Forest Algorithm-trained model is improved by 0.3–*** is proven that the cGAN can significantly enhance the prediction accuracy of the machine-learning model and balance the cost of obtaining fatigue data from the experiment.

关键词： Fatigue life curve Machine learning Transfer learning Conditional generative adversarial network(cGAN)

Optically actuating ultra-stable radicals in a large π-conjugated ligand constructed photochromic complex

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Science China Chemistry 2021年第3期64卷 432-438页

作者： Ji-Xiang Hu Xiao-Fan Jiang Yu-Juan Ma xue-ru liu Bang-Di Ge A-Ni Wang Qi Wei Guo-Ming Wang College of Chemistry and Chemical Engineering Qingdao UniversityQingdao 266071China Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education College of Chemistry and Materials ScienceNorthwest UniversityXi'an 710069China

Producing ultra-stabilized radicals via light irradiation has raised considerable concern but remains a tremendous challenge in functional materials. Herein, optically actuating ultra-stable radicals are discovered in a sterically encumbered and large π-conjugated tri(4-pyridyl)-1,3,5-triazine(TPT) ligands constructed photochromic compound Cu_(3)(H-HEDP)_(2)TPT_(2)·2H_(2)O(QDU-12;HEDP=hydroxyethylidene diphosphonate). The photogeneration of TPT· radicals is the photoactive behavior of electron transfer from HEDP motifs to TPT units. The ultra-long-lived radicals are contributed from strong interchain π-π interactions between the large π-conjugated TPT components, with the radical lifetime maintained for about 18 months under ambient conditions. Moreover, the antiferromagnetic couplings between TPT· radicals and Cu^(2+)ions plummeted the demagnetization to 35% of its original state after light irradiation, showing the largest room temperature photodemagnetization in the current radicalbased photochromic materials.

关键词： electron transfer gigantic photodemagnetization π-conjugated ligands photochromic ultra-stable radicals

Atorvastatin, etanercept and the nephrogenic cardiac sympathetic remodeling in chronic renal failure rats

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Journal of Geriatric Cardiology 2024年第4期21卷 443-457页

作者： Jing-Yue XU Zheng-Kai xue Ya-ru ZHANG Xing liu xue ZHANG Xi YANG Tong liu Kang-Yin CHEN Tianjin Key Laboratory of Ionic-Molecular Function of Cardiovascular Disease Department of CardiologyTianjin Institute of Cardiologythe Second Hospital of Tianjin Medical UniversityTianjinChina

BACKGROUND Chronic renal failure(CRF) patients are predisposed to arrhythmias, while the detailed mechanisms are unclear. We hypothesized the chronic inflammatory state of CRF patients may lead to cardiac sympathetic remodeling, increasing the incidence of ventricular arrhythmia(VA) and sudden cardiac death. And explored the role of atorvastatin and etanercept in this *** A total of 48 rats were randomly divided into sham operation group(Sham group), CRF group, CRF + atorvastatin group(CRF + statin group), and CRF + etanercept group(CRF + rhTNFR-Fcgroup). Sympathetic nerve remodeling was assessed by immunofluorescence of growth-associated protein 43(GAP-43) and tyrosine hydroxylase positive area fraction. Electrophysiological testing was performed to assess the incidence of VA by assessing the ventricular effective refractory period and ventricular fibrillation threshold. The levels of tumor necrosis factor-alpha(TNF-α) and interleukin-1beta were determined by Western blotting and enzyme-linked immunosorbent *** Echocardiogram showed that compared with the Sham group, left ventricular end-systolic diameter and ventricular weight/body weight ratio were significantly higher in the CRF group. Hematoxylin-eosin and Masson staining indicated that myocardial fibers were broken, disordered, and fibrotic in the CRF group. Western blotting, enzyme-linked immunosorbent assay,immunofluorescence and electrophysiological examination suggested that compared with the Sham group, GAP-43 and TNF-α proteins were significantly upregulated, GAP-43 and tyrosine hydroxylase positive nerve fiber area was increased, and ventricular fibrillation threshold was significantly decreased in the CRF group. The above effects were inhibited in the CRF + statin group and the CRF + *** In CRF rats, TNF-α was upregulated, cardiac sympathetic remodeling was more severe, and the nephrogenic cardiac sympathetic remodeling existed. Atorvastatin and etanercept c

关键词： remodeling cardiac inhibited

Sequential good lattice point sets for computer experiments

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Science China Mathematics 2024年第9期67卷 2153-2170页

作者： xue-ru Zhang Yong-Dao Zhou Min-Qian liu Dennis K.J.Lin NITFID LPMC&KLMDASRSchool of Statistics and Data ScienceNankai UniversityTianjin 300071China Department of Statistics Purdue UniversityWest LafayetteIN 47907USA

Sequential Latin hypercube designs(SLHDs) have recently received great attention for computer experiments, with much of the research restricted to invariant spaces. The related systematic construction methods are inflexible, and algorithmic methods are ineffective for large designs. For designs in contracting spaces, systematic construction methods have not been investigated yet. This paper proposes a new method for constructing SLHDs via good lattice point sets in various experimental spaces. These designs are called sequential good lattice point(SGLP) sets. Moreover, we provide efficient approaches for identifying the(nearly)optimal SGLP sets under a given criterion. Combining the linear level permutation technique, we obtain a class of asymptotically optimal SLHDs in invariant spaces, where the L1-distance in each stage is either optimal or asymptotically optimal. Numerical results demonstrate that the SGLP set has a better space-filling property than the existing SLHDs in invariant spaces. It is also shown that SGLP sets have less computational complexity and more adaptability.

关键词： contracting space maximin distance nested Latin hypercube design sequential design space-fillingdesign

Manipulating guest-responsive spin transition to achieve switchable fluorescence in a Hofmann-type framework

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Science China Chemistry 2024年第10期67卷 3339-3346页

作者： xue-ru Wu Shu-Qi Wu Zhi-Kun liu Ming-Xing Chen Jun Tao Osamu Sato Hui-Zhong Kou Engineering Research Center of Advanced Rare Earth Materials(Ministry of Education) Department of ChemistryTsinghua UniversityBeijing 100084China Institute for Materials Chemistry and Engineering&IRCCS Kyushu University744 MotookaNishi-kuFukuoka 819-0395Japan Key Laboratory of Cluster Science of Ministry of Education School of Chemistry and Chemical EngineeringLiangxiang CampusBeijing Institute of TechnologyBeijing 102488China Analytical Instrumentation Center College of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China

The change of fluorescence emission manipulated by spin state transition attracts considerable attention owing to its potential applications in magneto-optical switching ***,we report two two-dimensional(2D)Hofmann-type spin crossover(SCO)metal-organic frameworks(MOFs)[Fe^(Ⅱ)(PNI)_(2){Ag^(Ⅰ)(CN)_(2)}_(2)]·CHCl_(3)(3Ag·CHCl_(3))and[FeⅡ(PNI)_(2){AuⅠ(CN)_(2)}_(2)]·CHCl_(3)(3Au·CHCl_(3))based on the fluorescent ligand N-(4-pyridylmethyl)-1,8-naphthalimide(PNI).Both complexes exhibit interesting SCO behaviors switched by guest solvent molecules,namely three-step transitions for the solvated complexes and complete onestep hysteretic SCO for the desolvated ones,verified by temperature-dependent magnetic susceptibility measurements,Mossbauer spectra,structural analyses,and differential scanning calorimetry ***,temperature-dependent fluorescence spectra exhibit double peaks(monomer and excimer emission)with both emission peaks change consistent with the change in SCO properties during the solvent molecule *** this study,we integrated guest-responsive SCO behavior into MOFs to manipulate the multistability of spin state and fluorescence switching,providing a rational strategy for the development of stimuli-responsive multifunctional materials.

关键词： spin crossover fluorescence multifunctional materials metal-organic frameworks Hofmann-type

Copper isotope constraints on the origins of basaltic and andesitic magmas in the Tengchong volcanic field,SE Tibet

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Geoscience Frontiers 2024年第4期15卷 290-303页

作者： Yuan-ru Qu Sheng-Ao liu State Key Laboratory of Geological Processes and Mineral Resources China University of GeosciencesBeijing 100083China

The Tengchong volcano field(TVF),situated at the southeastern margin of the Tibetan Plateau,holds crucial information regarding Cenozoic volcanic activities and geotectonic evolution of the SE *** provide new constraints on petrogenesis and evolution of the Tengchong volcanism,here we conducted copper(Cu)elemental and isotopic analyses on a suite of samples that document the evolution from basalts to andesites in the *** basalts are Cu-depleted(29.7-36.9 ppm)and have higherδ65Cu val-ues(0.19‰-0.40‰,mean=0.31‰±0.05‰;n=11)than those of mid-ocean ridge basalts(MORBs,~0.09‰)and the mantle(~0.06‰)as well as the majority of island arc *** with the low Cu/Zr ratios,these characteristics are interpreted to reflect the fractionation of isotopically light sulfides in the S-saturated systems during magma ascent,rather than source heterogeneity induced by recycled materials and redox *** with the basalts,the andesites have slightly lower Cu contents(14.4-29.4 ppm)and lighter Cu isotopic compositions(mean=-0.14‰±0.06‰;n=13).These differences cannot be attributed to progressive sulfide fractionation of basaltic magmas but require the assimilation of lower crustal materials with lowδ65Cu values during evolution of the andesitic *** results collectively suggest that Cu isotopes can provide valuable insights into magma origin and evolution.

关键词： Copper isotopes Sulfide segregation Magmatic differentiation Tengchong volcanic field

Screening of low-friction two-dimensional materials from highthroughput calculations using lubricating figure of merit

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Friction 2024年第8期12卷 1897-1908页

作者： Kewei TANG Weihong QI Guoliang ru Weimin liu State Key Laboratory of Solidification Processing and Center of Advanced Lubrication and Seal Materials Northwestern Polytechnical UniversityXi’an 710072China Shandong Laboratory of Yantai Advanced Materials and Green Manufacturing Yantai 265503China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China

Two-dimensional materials are excellent lubricants with inherent ***,superlubricity has been reported for only a few of these ***,other promising two-dimentional(2D)materials with different physical properties cannot be discovered or applied in production;thus,energy consumption can be greatly ***,we carry out high-throughput calculations for 1,4752D materials and screen for low-friction *** set a standard,we propose,for the first time,a geometry-independent lubricating figure of merit based on the conditions for stick-slip transition and our theory of Moiré*** the efficient calculation of this figure of merit,an innovative approach was developed based on an improved registry index *** calculations,340 materials were found to have a figure of merit lower than 10−***,a small set of 21 materials with a figure of merit lower than 10−4 were screened *** materials can provide diverse choices for various *** addition,the efficient computational approach demonstrated in this work can be used to study other stacking-dependent properties.

关键词： two-dimensional materials high-throughput calculation tribology low-friction materials Moirépatterns

Research progress and prospect of low-carbon biological technology for nitrate removal in wastewater treatment

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Frontiers of Environmental Science & Engineering 2024年第7期18卷 1-21页

作者： ru Zheng Kuo Zhang Lingrui Kong Sitong liu College of Environmental Sciences and Engineering Peking UniversityBeijing 100871China Key Laboratory of Water and Sediment Sciences Ministry of Education of ChinaBeijing 100871China Eco-Environment and Resource Efficiency Research Laboratory School of Environment and EnergyPeking University Shenzhen Graduate SchoolShenzhen 518055China

Wastewater treatment plants are the major energy consumers and significant sources of greenhouse gas emissions,among which biological nitrogen removal of wastewater is an important contributor to carbon ***,traditional heterotrophic denitrification still has the problems of excessive residual sludge and the requirement of external carbon ***,the development of innovative low-carbon nitrate removal technologies is *** review outlines the key roles of sulfur autotrophic denitrification and hydrogen autotrophic denitrification in low-carbon wastewater *** discovered nitrate/nitrite dependent anaerobic methane oxidation enables sustainable methane emission reduction and nitrogen removal by utilizing available methane in *** microorganisms exhibited a promising potential to achieve carbon-negative nitrate ***,the algal-bacterial symbiosis system and photogranules offer effective and prospective low-carbon options for nitrogen ***,the emerging nitrate removal technology of photoelectrotrophic denitrification and the underlying,photoelectron transfer mechanisms are ***,we summarize and prospect these technologies,highlighting that solar-driven biological nitrogen removal technology is a promising area for future sustainable wastewater *** review has important guiding significance for the design of low-carbon wastewater treatment systems.

关键词： Carbon emissions Low-carbon Biological nitrogen removal Denitrification

Evolution of pore systems in low-maturity oil shales during thermal upgrading--Quantified by dynamic SEM and machine learning

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Petroleum Science 2024年第3期21卷 1739-1750页

作者： Jun liu xue Bai Derek Elsworth Key Laboratory of Deep Underground Science and Engineering(Ministry of Education) Institute of New Energy and Low-Carbon TechnologySichuan UniversityChengdu610065SichuanChina International Quantum Academy Shenzhen518048GuangdongChina Shenzhen Institute of Advanced Electronic Materials Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen518055GuangdongChina Department of Energy and Mineral Engineering Pennsylvania State University ParkPA 16802USA

In-situ upgrading by heating is feasible for low-maturity shale oil,where the pore space dynamically *** characterize this response for a heated substrate concurrently imaged by *** systematically follow the evolution of pore quantity,size(length,width and cross-sectional area),orientation,shape(aspect ratio,roundness and solidity)and their anisotropy—interpreted by machine *** indicate that heating generates new pores in both organic matter and inorganic ***,the newly formed pores are smaller than the original pores and thus reduce average lengths and widths of the bedding-parallel pore ***,the average pore lengths and widths are increased in the bedding-perpendicular ***,heating increases the cross-sectional area of pores in low-maturity oil shales,where this growth tendency fluctuates at300℃.In addition,the orientation and shape of the newly-formed heating-induced pores follow the habit of the original pores and follow the initial probability distributions of pore orientation and ***,limited anisotropy is detected in pore direction and shape,indicating similar modes of evolution both bedding-parallel and *** propose a straightforward but robust model to describe evolution of pore system in low-maturity oil shales during heating.

关键词： Low-maturity oil shale Pore elongation Organic matter pyrolysis In-situthermal upgrading Scanning electron microscopy(SEM) Machine learning