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Integrating machine learning and CALPHAD method for exploring low-modulus near-β-Ti alloys

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Rare Metals 2024年第1期43卷 309-323页

作者： Hao Zou Yue-Yan Tian Li-gang Zhang Ren-Hao xue zi-xuan Deng Ming-Ming Lu Jian-Xin Wang Li-Bin Liu School of Computer Science and Engineering Central South UniversityChangsha 410083China School of Materials Science and Engineering Central South UniversityChangsha 410083China State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083China

Traditional theoretical and empirical calculation methods can guide the design of β-and metastable β-alloys for bio-titanium. However, it is still difficult to obtain novel near-β-Ti alloys with low modulus. This study developed a method that combines machine learning with calculation of phase diagrams(CALPHAD) to facilitate the design of near-β-Ti alloys. An elastic modulus database of Ti–Nb–Zr–Mo–Ta–Sn system was constructed first, and then three features(the electron to atom ratio, mean absolute deviation of atom mass, and mean electronegativity) were selected as the key factors of modulus by performing a three-step feature selection. With these features, a highly accurate model was built for predicting the modulus of near-β-Ti alloys. To further ensure the accuracy of modulus prediction, machine learning with the elastic constants calculated was leveraged by CALPHAD database. The root mean square error of the well-trained model can be as low as 6.75 GPa. Guided by the prediction of machine learning and CALPHAD, three novel near-β-Ti alloys with elastic modulus below 50 GPa were successfully designed in this study. The best candidate alloy(Ti–26Nb–4Zr–4Sn–1Mo–Ta) exhibits an ultra-low modulus(36.6 GPa) after cold rolling with a thickness reduction of 20%. Our method can greatly save time and resources in the development of novel Ti alloys, and experimental verifications have demonstrated the reliability of this method.

关键词： Near-β-Ti alloy Machine learning Calculation of phase diagram Low-modulus alloy Feature selection

Predictive value of red blood cell distribution width and hematocrit for short-term outcomes and prognosis in colorectal cancer patients undergoing radical surgery

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World Journal of Gastroenterology 2024年第12期30卷 1714-1726页

作者： Dong Peng zi-Wei Li Fei Liu xu-Rui Liu Chun-Yi Wang Department of Gastrointestinal Surgery The First Affiliated Hospital of Chongqing Medical UniversityChongqing 400016China

BACKGROUND Previous studies have reported that low hematocrit levels indicate poor survival in patients with ovarian cancer and cervical cancer,the prognostic value of hematocrit for colorectal cancer(CRC)patients has not been *** prognostic value of red blood cell distribution width(RDW)for CRC patients was *** To investigate the impact of RDW and hematocrit on the short-term outcomes and long-term prognosis of CRC patients who underwent radical *** Patients who were diagnosed with CRC and underwent radical CRC resection between January 2011 and January 2020 at a single clinical center were *** short-term outcomes,overall survival(OS)and disease-free survival(DFS)were compared among the different *** analysis was also conducted to identify independent risk factors for OS and *** There were 4258 CRC patients who underwent radical surgery included in our study.A total of 1573 patients were in the lower RDW group and 2685 patients were in the higher RDW *** were 2166 and 2092 patients in the higher hematocrit group and lower hematocrit group,*** in the higher RDW group had more intraoperative blood loss(P<0.01)and more overall complications(P<0.01)than did those in the lower RDW ***,patients in the lower hematocrit group had more intraoperative blood loss(P=0.012),longer hospital stay(P=0.016)and overall complications(P<0.01)than did those in the higher hematocrit *** higher RDW group had a worse OS and DFS than did the lower RDW group for tumor node metastasis(TNM)stage I(OS,P<0.05;DFS,P=0.001)and stage II(OS,P=0.004;DFS,P=0.01)than the lower RDW group;the lower hematocrit group had worse OS and DFS for TNM stage II(OS,P<0.05;DFS,P=0.001)and stage III(OS,P=0.001;DFS,P=0.001)than did the higher hematocrit *** hematocrit was an independent risk factor for OS[P=0.017,hazard ratio(HR)=1.256,95%confidence interval(CI):1.041-1.515]and DFS(P=0.035,HR=1.194

关键词： Colorectal cancer Red blood cell distribution width Survival Short-term outcomes

Production induced fracture closure of deep shale gas well under thermo-hydro-mechanical conditions

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Petroleum Science 2024年第3期21卷 1796-1813页

作者： Shi-Ming Wei Yang Xia Yan Jin xu-Yang Guo Jing-Yu zi Kai-xuan Qiu Si-Yuan Chen College of Science China University of Petroleum(Beijing)Beijing102249China CNOOC Research Institute Ltd Beijing100028China The University of Hong Kong Hong Kong999077China

Deep shale gas reservoirs have geological characteristics of high temperature,high pressure,high stress,and inferior ability to pass through *** multi-stage fractured horizontal well is the key to exploiting the deep shale gas ***,during the production process,the effectiveness of the hydraulic fracture network decreases with the closure of fractures,which accelerates the decline of shale gas *** this paper,we addressed the problems of unclear fracture closure mechanisms and low accuracy of shale gas production prediction during deep shale gas *** we established the fluid—solid—heat coupled model coupling the deformation and fluid flow among the fracture surface,proppant and the shale *** the fluid—solid—heat coupled model was applied to the fracture network,it was well solved by our numerical method named discontinuous discrete fracture *** with the conventional discrete fracture method,the discontinuous discrete fracture method can describe the three-dimensional morphology of the fracture while considering the effect of the change of fracture surface permeation coefficient on the coupled fracture—matrix flow and describing the displacement discontinuity across the *** simulations revealed that the degree of fracture closure increases as the production time proceeds,and the degree of closure of the secondary fractures is higher than that of the primary *** creep and proppant embedment both increase the degree of fracture *** reduction in fracture surface permeability due to proppant embedment reduces the rate of fluid transfer between matrix and fracture,which has often been overlooked in the ***,it significantly impacts shale gas production,with calculations showing a 24.7%cumulative three-year yield *** study is helpful to understand the mechanism of hydraulic fracture ***,it provides the theoretical guidance for maintaining the long

关键词： Shalegas Fracture closure Fluid-solid-heat coupling Discontinuous discrete fracture

Abnormal mechanochemical effect in ultraprecision machining of an additively manufactured precipitation-strengthened high-entropy alloy

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Journal of Materials Science & Technology 2024年第3期170卷 221-237页

作者： Long xu Yuchao Bai Yunfa Guo Chang Ren Xiaohua Tan Yandong Jia gang Wang Hao Wang Institute of Materials Shanghai UniversityShanghai 200444China Zhejiang Institute of Advanced Materials Shanghai UniversityJiashan 314100China Department of Mechanical Engineering National University of SingaporeSingapore 117575Singapore

Recently,researchers have explored the use of precipitation strengthening and finer microstructures with high-density dislocations in additive manufacturing to produce high-entropy alloys(HEAs)with adjustable ***,the inherent surface roughness and lack of machinability research in AMed HEAs limit their engineering *** this study,we systematically investigated the microstructural characteristics,mechanical properties,and machinability of Fe_(29.3)Co_(28.7)Ni_(28.6)Al_(6.8)Ti_(6.6)(at.%)HEAs with three different structures:single FCC phase cellular(SPC),dual precipitation-strengthened(DPS),and single precipitation-strengthened(SPS).These structures were fabricated by selective laser melting and isothermally annealing at 780 and 940℃.Compared to SPC HEA,DPS HEA exhibits a significant increase in yield strength and ultimate tensile strength but with a dramatic sacrifice in *** HEA exhibits similar mechanical properties to SPC HEA due to the pronounced coarsening of L21 *** ultraprecision machining micro-cutting test showed that SPC HEA had a significant mechanochem-ical effect,as evidenced by a sharp drop in cutting force for inked workpieces,but not DPS *** abnormal finding was that the negligible reflection of cutting force for SPS HEAs suggested a negative mechanochemical effect,even though SPS HEA had equally excellent plasticity like SPC *** was found that nanocrystallization-induced strength enhancement and ductility reduction of SPS HEA lead to chips’deformation dominated by shear avalanche rather than chip folding of SPC HEA,which involves the reduction of surface energy and friction of chips’***,these results and our research findings may guide the machining of AMed precipitation-strengthened HEAs and accelerate their engineering ap-plication.

关键词： High-entropy alloy Selective laser melting Precipitation strengthening Machinability Mechanochemical effect

Polarizable Additive with Intermediate Chelation Strength for Stable Aqueous zinc‑Ion Batteries

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Nano-Micro Letters 2024年第5期16卷 41-55页

作者： Yuting Xia Rongao Tong Jingxi Zhang Mingjie xu gang Shao Hailong Wang Yanhao Dong Chang‑An Wang State Key Lab of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084People’s Republic of China School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001HenanPeople’s Republic of China

Aqueous zinc-ion batteries are promising due to inherent safety,low cost,low toxicity,and high volumetric ***,issues of dendrites and side reactions between zinc metal anode and the electrolyte need to be solved for extended storage and cycle ***,we proposed that an electrolyte additive with an intermediate chelation strength of zinc ion—strong enough to exclude water molecules from the zinc metal-electrolyte interface and not too strong to cause a significant energy barrier for zinc ion dissociation—can benefit the electrochemical stability by suppressing hydrogen evolution reaction,overpotential growth,and den-drite ***-sodium diethylene-triaminepentaacetic acid salt was selected for such a *** has a suitable chelating ability in aqueous solutions to adjust solvation sheath and can be readily polarized under electrical loading conditions to further improve the ***||Zn symmetric cells can be stably operated over 3500 h at 1 mA cm^(-2).Zn||NH4V4O10 full cells with the additive show great cycling stability with 84.6%capacity retention after 500 cycles at 1 A g^(-1).Since the additive not only reduces H2 evolution and corrosion but also modifies Zn2+diffusion and deposition,highlyreversible Zn electrodes can be achieved as verified by the experimental *** work offers a practical approach to the logical design of reliable electrolytes for high-performance aqueous batteries.

关键词： Aqueous zinc-ion batteries Electrolyte additives DTPA-Na Chelation strength

Evaluating the moderated-mediation effects of switchingcosts in the link between social capital and NPD performance

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Journal of Management Science and Engineering 2024年第2期9卷 161-176页

作者： Yi Li Nelson Oly Ndubisi gang Li Jinpeng xu School of Economics&Management Xidian UniversityXi'anChina College of Business&Economics Qatar UniversityDohaQatar School of Management Xi'an Jiao Tong UniversityXi'anChina The State Key Lab for Manufacturing Systems Engineering Xi'anChina The Key Laboratory of the Ministry of Education for Process Control and Efficiency Projects Xi'anChina

In this study,we explore the causes and performance outcomes of switching costs in the context of new product development(NPD)from both the supplier and customer perspectives,and discuss the role that switching costs play as moderators and mediators in the relationship between social capital and NPD *** on data from 214 Chinese manufacturers,we employ the structural equation model to test our conceptual model and *** results indicate that relationship quality and customer involvement positively and negatively affect switching costs,respectively,and that switching costs negatively affect NPD *** costs mediate and moderate the relationship between social capital and NPD ***,switching costs significantly and positively moderate the relationship between relationship quality and NPD *** the other hand,switching costs insignificantly and negatively moderate the relationship between customer involvement and NPD *** theoretical and managerial implications of the findings are discussed.

关键词： Social capital New product development(NPD) Performance Switching costs Moderated mediation analysis China

Enhancing metformin-induced tumor metabolism destruction by glucose oxidase for triple-combination therapy

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Journal of Pharmaceutical Analysis 2024年第3期14卷 321-334页

作者： Rangrang Fan Linrui Cai Hao Liu Hongxu Chen Caili Chen gang Guo Jianguo xu Department of Neurosurgery and Institute of Neurosurgery Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan UniversityChengdu610041China NMPA Key Laboratory for Technical Research on Drug Products in Vitro and in Vivo Correlation Key Laboratory of Birth Defects and Related Diseases of Women and Children of MOENational Drug Clinical-Trial InstitutionWest China Second HospitalSichuan UniversityChengdu610041China Department of Immunology School of Basic Medical SciencesXinxiang Medical UniversityXinxiangHenan453000China

Despite decades of laboratory and clinical trials,breast cancer remains the main cause of cancer-related disease burden in *** the metabolism destruction effect of metformin(Met)and cancer cell starvation induced by glucose oxidase(GOx),after their efficient delivery to tumor sites,GOx and Met may consume a large amount of glucose and produce sufficient hydrogen peroxide in ***,a pH-responsive epigallocatechin gallate(EGCG)-conjugated low-molecular-weight chitosan(LC-EGCG,LE)nanoparticle(Met–GOx/Fe@LE NPs)was *** coordination between iron ions(Fe3+)and EGCG in this nanoplatform can enhance the efficacy of chemodynamic therapy via the Fenton ***–GOx/Fe@LE NPs allow GOx to retain its enzymatic activity while simultaneously improving its ***,this pH-responsive nanoplatform presents controllable drug release *** in vivo biodistribution study showed that the intracranial accumulation of GOx delivered by this nanoplatform was 3.6-fold higher than that of the free *** in vivo anticancer results indicated that this metabolism destruction/starvation/chemodynamic triple-combination therapy could induce increased apoptosis/death of tumor cells and reduce their *** triple-combination therapy approach is promising for efficient and targeted cancer treatment.

关键词： Metformin Glucose oxidase Metabolism disruption Tumor starvation Combination cancer therapy

Removal of rubidium from brine by an integrated film of sulfonated polysulfone/graphene/potassium copper ferricyanide

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Chinese Journal of Chemical Engineering 2024年第5期69卷 112-121页

作者： Huanxi xu Peihua Lin Pei-Jun Liu Hai-gang Liu Hui-Bin Guo Chao-Xiang Wu Ming Fang xu Zhang Guan-Ping Jin Anhui Province Engineering Research Center of Flexible and Intelligent Materials School of Chemistry and Chemical EngineeringHefei University of TechnologyHefei 230009China Chemical Design and Research Institute Co. LTD of Qinghai ProvinceQinghai Engineering and Technology Research Center of Fine ChemicalXining 810008China

A novel integrated film of sulfonated polysulfone/graphene/potassium copper ferricyanide(KCuFC/SPSG)was used for selectively extracting rubidium ion(Rb^(+))from *** form KCuFC/SPSG,the precursor film of sulfonated polysulfone/graphene(SPSG)was synthesized by phase conversion process,which was alternately immersed in 0.1 mol·L^(-1)CuSO_(4)/K_(4)[Fe(CN)_(6)]by in-situ adsorption coupled co-precipitation *** data such as nuclear magnetic resonance spectrometer,Fourier transform infrared spectroscope,X-ray photoelectron spectroscope,X-ray diffraction,scanning electron microscope,and energy dispersive spectroscopy all verified that abundant KCuFC were uniformly located on the *** resulting KCuFC/SPSG was used in film separation *** the solution was fed into the system,the Rb^(+)could be selectively adsorption by KCuFC/*** the saturation adsorption,0.5 mol·L^(-1)NH_(4)Cl/HCl was fed into the film cell,Rb^(+)could be quickly desorbed by ion-exchange between Rb^(+)and NH_(4)^(+)in the lattice of *** purpose of separating and recovering Rb^(+)from the brine can be achieved after the repeated *** effects of pH,adsorption time,and interferential ions on the adsorption capacity of Rb^(+)were investigated by batch *** adsorption behavior fits the pseudo-second order kinetic process,while KCuFC has a higher adsorption capacity(Langmuir maximum sorption 165.4 mg·g^(-1)).In addition,KCuFC/SPSG shows excellent selectivity for Rb^(+)even in complex brine ***/SPSG could maintain 93.5%extraction efficiency after five adsorption/desorption cycles.

关键词： Rubidium extraction Potassium copper ferricyanide Sulfonated polysulfone Graphene oxide Adsorption

αDecay in extreme laser fields within a deformed Gamow-like model

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Nuclear Science and Techniques 2024年第2期35卷 131-144页

作者： Qiong Xiao Jun-Hao Cheng Yang-Yang xu You-Tian Zou Jun-gang Deng Tong-Pu Yu Department of Physics National University of Defense TechnologyChangsha 410073China College of Science China Three Gorges UniversityYichang 443002China

In this study, the effect of extreme laser fields on the α decay process of ground-state even–even nuclei was *** the deformed Gamow-like model, we found that state-of-the-art lasers can cause a slight change in the α decay penetration probability of most nuclei. In addition, we studied the correlation between the rate of change of the α decay penetration probability and angle between the directions of the laser electric field and α particle emission for different nuclei. Based on this correlation, the average effect of extreme laser fields on the half-life of many nuclei with arbitrary α particle emission angles was calculated. The calculations show that the laser suppression and promotion effects on the α decay penetration probability of the nuclei population with completely random α particle-emission directions are not completely *** remainder led to a change in the average penetration probability of the nuclei. Furthermore, the possibility of achieving a higher average rate of change by altering the spatial shape of the laser is explored. We conclude that circularly polarized lasers may be helpful in future experiments to achieve a more significant average rate of change of the α decay half-life of the nuclei population.

关键词： αDecay Deformed Gamow-like model Half-lives Extreme laser field Penetration probability