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Screening outstanding mechanical properties and low lattice thermal conductivity using global attention graph neural network

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Energy and AI 2023年第4期14卷 360-370页

作者： Joshua Ojih Alejandro Rodriguez Jianjun Hu Ming Hu Department of Mechanical Engineering University of South CarolinaSC 29208United States of America Department of Computer Science and Engineering University of South CarolinaSC 29208United States of America

Mechanical and thermal properties of materials are extremely important for various engineering and scientific fields such as energy conversion and energy ***,the characterization of these properties via high throughput screening at the quantum level,although highly accurate,is inefficient and very time-and *** contrast,prediction at the classical level is highly efficient but less *** deploy scalable global attention graph neural network for accurate prediction of mechanical properties which bridge the gap between the accuracy at the quantum level and efficiency at the classical *** 10,158 elastic constants as training data,we trained the models on 5 mechanical properties,namely bulk modulus,shear modulus,Young’s modulus,Poisson’s ratio,and *** the trained model,we predicted 775,947 data in search of materials with ultrahigh *** further verify the recommended ultrahigh hardness materials by high precision first principles calculations,and we finally identify 20 structures with extreme hardness close to diamond,the hardest material in *** those,two super hard materials are completely new and have not been reported in literature so *** further recommend potential materials from bulk modulus prediction to search low lattice thermal conductivity,and we verify the thermal conductivity of 338 structures with first *** results demonstrate that one can find materials with extreme mechanical properties recommended by graph neural network and low thermal conductivity material from bulk modulus prediction with minimal first principles calculations of the structures(only 0.04%)in the large-scale materials pool.

关键词： Graph neural network Machine learning Mechanical properties Ultrahigh hardness Lattice thermal conductivity DFT calculations Novel material discovery

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Fabrication and characterization of SmO_(0.7)F_(0.2)FeAs bulk with a transition temperature of 56.5 K

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Rare Metals 2011年第5期30卷 496-500页

作者： LIU Zhiyong MA Lin ZHAO Junjing YAN Binjie SUO Hongli College of Materials Science and Engineering Beijing University of Technology Beijing 100022 China Department of Physics University oflUinois at Chicago Chicago IL 60607 America Materials Science Division Argonne National Laboratory Argonne IL 60439 America

The superconductivity of iron-based superconductor SmO 0.7 F 0.2 FeAs was investigated. The SmO 0.7 F 0.2 FeAs sample was prepared by the two-step solid-state reaction method. The onset resistivity transition temperature is as high as 56.5 K. X-ray diffraction （XRD） results show that the lattice parameters a and c are 0.39261 and 0.84751 nm, respectively. Furthermore, the global J c was more than 2.3 × 10 5 A/cm 2 at T = 10 K and H = 9 T, which was calculated by the formula of J c = 20ΔM/[a（1-a/（3b））]. The upper critical fields, H c2 ≈ 256 T （T = 0 K）, was determined according to the Werthamer-Helfand-Hohenberg formula, indicating that the SmO 0.7 F 0.2 FeAs was a superconductor with a very promising application.

关键词： iron-based superconductor superconductivity solid-state reaction transition temperature

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BIOCOMPATIBILITY OF A PDMS-COATED MICRO-DEVICE:BLADDER VOLUME MONITORING SENSOR

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Chinese Journal of Polymer Science 2012年第2期30卷 242-249页

作者： Dong Sup Lee Su Jin Kim Jun Ho Sohn In Gul Kim Sae Woong Kim Dong Wan Sohn Jong Hyun Kim Bumkyoo Choi Department of Urology St.Vincent's HospitalCollege of Medicinethe Catholic University of KoreaSuwonKorea Department of Urology Seoul St.Mary's HospitalCollege of Medicinethe Catholic University of KoreaSeoulKorea Department of Urology Yeouido St.Mary's HospitalCollege of Medicinethe Catholic University of KoreaSeoulKorea Department of Mechanical Engineering Sogang UniversitySeoulKorea

We evaluated the biocompatibility of a dimethylpolysiloxane-coated micro-device which had been designed for monitoring real-time bladder volume in previous studies. The extract assay with dimethylpolysiloxane which had been used for coating the micro-device to measure the bladder volume was performed as an in vitro cytotoxicity test. For in vivo biocompatibility testing, the inflammatory responses around the implantation site of the micro-device in subcutaneous tissue of rat were assessed by light microscope with H＆E stain and fluorescence microscope with ED1 stain and von Willebrand factor stain. The averages of cell viability in dimethylpolysiloxane group were 84.6% and 82.3% at 24 h and 72 h incubation, respectively. The qualitative evaluations with light and fluorescence microscope revealed that the inflammatory changes peaked during 2 weeks but almost disappeared at 4 weeks after implantation of devices. The quantitative evaluations for granulation layer formation and neovascularization showed that the thickness of the layer in dimethylpolysiloxane group peaked during 2 weeks but it came to be stabilized at 4 weeks as thin as at 2 weeks in control group, and the frequency of neovascularization was higher in dimethylpolysiloxane group than in control group but it was not increased with time. The dimethylpolysiloxane-coated micro-device is thought be a reliable bio-medical device.

关键词： Dimethylpolysiloxane Devices Biocompatibility testing.

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The interplay between direct-acting antivirals and hepatocellular carcinoma in chronic hepatitis C

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Hepatoma Research 2020年第3期6卷 15-23页

作者： Sun Hong Yoo Jung Hyun Kwon Department of Internal Medicine Catholic University Liver Research CenterThe Catholic University of KoreaSeoul 06591Korea

Direct-acting antivirals(DAAs)have been introduced for the treatment of hepatitis C virus,and the sustained virological response rate after DAAs was reported to be over 95%.Because of the high sustained virological response rate,the risk of hepatocellular carcinoma(HCC)was expected to be ***,an unexpected high risk of HCC recurrence after DAA treatment was reported,and thus the dispute about the association of DAA and HCC *** present article reviews the interplay between DAAs and HCC.

关键词： Chronic hepatitis C hepatocellular carcinoma direct-acting antivirals

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Ellipticity on spaces with higher singularities

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Science China Mathematics 2017年第11期60卷 2053-2076页

作者： CHANG Der-Chen SCHULZE Bert-Wolfgang Department of Mathematics and Statistics Georgetown University Department of Mathematics Fu Jen Catholic University Institute of Mathematics University of Potsdam

We study corner-degenerate pseudo-differential operators of any singularity order and develop ellipticity based on the principal symbolic hierarchy, associated with the stratification of the underlying space. We construct parametrices within the calculus and discuss the aspect of additional trace and potential conditions along lower-dimensional strata.

关键词： pseudo-differential operators operator-valued symbols Fourier and Mellin transforms

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A topological way of finding solutions to the Yang–Mills equation

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Communications in Theoretical Physics 2020年第8期72卷 87-95页

作者： Jun Nian Yachao Qian Leinweber Center for Theoretical Physics University of MichiganAnn ArborMI 48109United States of America Department of Physics and Astronomy Stony Brook UniversityStony BrookNY 11794-3800United States of America

We propose a systematic way of finding solutions to the classical Yang–Mills equation with nontrivial topology. This approach is based on one of the Wightman axioms for quantum field theory, which is referred to as the form invariance condition in this paper. For a given gauge group and a spacetime with certain isometries, thanks to this axiom that imposes strong constraints on the general ansatz, a systematic way of solving the Yang–Mills equation can be obtained in both flat and curved spacetimes. In order to demonstrate this method, we recover various known solutions as special cases, as well as producing new solutions not previously reported in the literature.

关键词： Yang–Mills theory form invariance curved space exact solutions Wu-Yang monopole instanton

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Determination of surgical priorities in appendicitis based on the probability of undetected appendiceal perforation

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World Journal of Gastroenterology 2015年第7期21卷 2131-2139页

作者： Sang Chul Lee Geon Park Byung-Jo Choi Say-June Kim Department of Surgery Daejeon St. Mary’s Hospital the Catholic University of Korea Department of Radiology Daejeon St. Mary’s Hospital the Catholic University of Korea

AIM:To identify risk factors of actual appendiceal perforation when computed tomography(CT)scans suggest nonperforated appendicitis and accordingly determine surgical ***:We collected database of 1362 patients who underwent an appendectomy for acute appendicitis between 2006 and 2013.A single radiologist selected1236 patients whose CT scans were suggestive ofnonperforated *** were divided into 2 groups:actual nonperforation group and actual perforation group according to intraoperative and pathologic *** of the 2 groups were made using binary logistic ***:Of 1236 patients,90(7.3%)were found to have actual appendiceal *** risk factors related with actual appendiceal perforation were identified:body temperature≥37.6℃(HR=1.912,95%CI:1.161-3.149;P=0.011),out-ofhospital symptom duration≥72 h(HR=2.454,95%CI:1.292-4.662;P=0.006),age≥35 years(HR=3.358,95%CI:1.968-5.728;P<0.001),and appendiceal diameter on CT scan≥8 mm(HR=4.294,95%CI:1.034-17.832;P=0.045).Actual appendiceal perforation group showed longer operation time,later initiation of diet,longer use of parenteral narcotics,longer hospital stay,and higher incidence of postoperative complications(P<0.05).CONCLUSION:We proposed here new criteria to select patients with adverse clinical outcomes after appendectomy among the patients with radiologically nonperforated *** appendectomy outcomes could be improved by determining the surgical priority according to our criteria.

关键词： Appendicitis Appendiceal perforation Operative pri

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Impact of miRNAs on cardiovascular aging

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Journal of Geriatric Cardiology 2015年第5期12卷 569-574页

作者： Seahyoung Lee Eunhyun Choi Min-Ji Cha Ae-Jun Park Cheesoon Yoon Ki-Chul Hwang Institute for Bio-Medical Convergence College of Medicine Catholic Kwandong University Gangneung-sL Gangwon-do South Korea catholic Kwandong university International St. Mary's Hospital Incheon Metropolitan City South Korea Department of Healthcare Management College of Medicine Catholic Kwandong University Gangneung-si Gangwond-do South Korea Department of Cardiovascular & Thoracic Surgery College of Medicine Catholic Kwandong University Gangneung-si Gangwond-do South Korea

Aging is a multidimensional process that leads to an increased risk of developing severe diseases, such as cancer and cardiovascular, neurodegenerative, and immunological diseases. Recently, small non-coding RNAs known as microRNAs （miRNAs） have been shown to regulate gene expression, which contributes to many physiological and pathophysiological processes in humans. Increasing evidence suggests that changes in miRNA expression profiles contribute to cellular senescence, aging and aging-related diseases. However, only a few miRNAs whose functions have been elucidated have been associated with aging and/or aging-related diseases. This article reviews the currently available findings regarding the roles of aging-related miRNAs, with a focus on cardiac and cardiovascular aging.

关键词： Aging heart Cardiovascular aging miRNA Senescence Vascular aging

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Stratified computed tomography findings improve diagnostic accuracy for appendicitis

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World Journal of Gastroenterology 2014年第38期20卷 13942-13949页

作者： Geon Park Sang Chul Lee Byung-Jo Choi Say-June Kim Department of Radiology Daejeon St. Mary’s HospitalThe Catholic University of Korea Department of Surgery Daejeon St. Mary’s HospitalThe Catholic University of Korea

AIM: To improve the diagnostic accuracy in patients with symptoms and signs of appendicitis, but without confirmative computed tomography (CT) findings.

关键词： Appendectomy Appendicitis Computed tomography Diagnostic accuracy Re-evaluation

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Low-intensity microcurrent therapy promotes regeneration of atrophied calf muscles in immobilized rabbits

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The Journal of Biomedical Research 2019年第1期33卷 30-37页

作者： Gi Young Park Dong Rak Kwon Yong Suk Moon Department of Rehabilitation Medicine Muscle Research Center Catholic University of Daegu School of Medicine Department of Anatomy Catholic University of Daegu School of Medicine

The purpose of this study was to investigate the intensity-specific regenerative effects of microcurrent therapy on gastrocnemius muscle atrophy induced by cast-immobilization in rabbits. Fifteen rabbits were randomly allocated to 3 groups after cast removal: cast-immobilization and sham microcurrent therapy for 2 weeks(group 1); castimmobilization and microcurrent therapy(25 μA) for 2 weeks(group 2); cast-immobilization and microcurrent therapy(5,000 μA) for 2 weeks(group 3). Clinical parameters [calf circumference, compound muscle action potential(CMAP) of the tibial nerve, thickness of gastrocnemius muscle], cross sectional area of gastrocnemius muscle fibres,and immunohistochemistry was evaluated. The clinical parameters representing mean atrophic changes in group 2 were significantly lower than those in group 3. The cross sectional area of the gastrocnemius muscle fibres and immunohistochemical parameters in group 2 were significantly greater than those in group 3. The results showed that low-intensity microcurrent therapy can more effectively promote regeneration in atrophied gastrocnemius muscle than high-intensity microcurrent therapy.

关键词： microcurrent intensity atrophy muscle cast

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