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A deep learning interatomic potential suitable for simulating radiation damage in bulk tungsten

Tungsten 2024年第2期6卷 304-322页

作者： Chang-Jie Ding Ya-Wei Lei Xiao-Yang Wang Xiao-Lin Li Xiang-Yan Li Yan-Ge Zhang yi-chun xu Chang-Song Liu xue-Bang Wu Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China Science Island University of Science and Technology of ChinaHefei 230026China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

So far, it has been a challenge for existing interatomic potentials to accurately describe a wide range of physical properties and maintain reasonable efficiency. In this work, we develop an interatomic potential for simulating radiation damage in body-centered cubic tungsten by employing deep potential, a neural network-based deep learning model for representing the potential energy surface. The resulting potential predicts a variety of physical properties consistent with first-principles calculations, including phonon spectrum, thermal expansion, generalized stacking fault energies, energetics of free surfaces, point defects, vacancy clusters, and prismatic dislocation loops. Specifically, we investigated the elasticity-related properties of prismatic dislocation loops, i.e., their dipole tensors, relaxation volumes, and elastic interaction energies. This potential is found to predict the maximal elastic interaction energy between two 1/2 loops better than previous potentials, with a relative error of only 7.6%. The predicted threshold displacement energies are in reasonable agreement with experimental results, with an average of 128 eV. The efficiency of the present potential is also comparable to the tabulated gaussian approximation potentials and modified embedded atom method potentials, meanwhile, can be further accelerated by graphical processing units. Extensive benchmark tests indicate that this potential has a relatively good balance between accuracy, transferability, and efficiency.

关键词： Machine learning Deep learning Interatomic potential Radiation damage Tungsten

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Roles of MT-ND1 in Cancer

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Current Medical Science 2023年第5期43卷 869-878页

作者： yi-chun xu Jun SU Jia-jing ZHOU Qing YUAN Jun-song HAN Department of Pathology Shanghai Tongji HospitalTongji Hospital Affiliated to Tongji UniversityShanghai 200065China National Engineering Research Center for Biochip Shanghai Biochip Limited CorporationShanghai 201203China

The energy shift toward glycolysis is one of the hallmarks of *** I is a vital enzyme complex necessary for oxidative *** mitochondrially encoded NADH:ubiquinone oxidoreductase core subunit 1(MT-ND1)is the largest subunit coded by mitochondria of complex *** present study summarizes the structure and biological function of *** databases and literature,the expressions and mutations of MT-ND1 in a variety of cancers have been ***-ND1 may be a biomarker for cancer diagnosis and *** is also a potential target for cancer therapy.

关键词： mitochondrially encoded NADH:ubiquinone oxidoreductase core subunit 1 cancer biomarker mutation

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A stable staggered-grid finite-difference scheme for acoustic modeling beyond conventional stability limit

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Petroleum Science 2024年第1期21卷 182-194页

作者： Jing-yi xu Yang Liu National Key Laboratory of Petroleum Resources and Engineering China University of Petroleum(Beijing)Beijing 102249China China University of Petroleum(Beijing) Karamay CampusKaramay 834000XinjiangChina

Staggered-grid finite-difference(SGFD)schemes have been widely used in acoustic wave modeling for geophysical *** improved methods are proposed to enhance the accuracy of numerical ***,these methods are inevitably limited by the maximum Courant-Friedrichs-Lewy(CFL)numbers,making them unstable when modeling with large time sampling intervals or small grid *** solve this problem,we extend a stable SGFD scheme by controlling SGFD dispersion relations and maximizing the maximum CFL ***,to improve modeling stability,we minimize the error between the FD dispersion relation and the exact relation in the given wave-number region,and make the FD dispersion approach a given function outside the given wave-number area,thus breaking the conventional limits of the maximum CFL ***,to obtain high modeling accuracy,we use the SGFD scheme based on the Remez algorithm to compute the FD *** addition,the hybrid absorbing boundary condition is adopted to suppress boundary reflections and we find a suitable weighting coefficient for the proposed *** derivation and numerical modeling demonstrate that the proposed scheme can maintain high accuracy in the modeling process and the value of the maximum CFL number of the proposed scheme can exceed that of the conventional SGFD scheme when adopting a small maximum effective wavenumber,indicating that the proposed scheme improves stability during the modeling.

关键词： Acoustic wave Staggered-grid finite-difference(SGFD) modeling Courant-friedrichs-lewy(CFL)number Stability

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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

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Unconditionally stable Crank-Nicolson algorithm with enhanced absorption for rotationally symmetric multi-scale problems in anisotropic magnetized plasma

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Journal of Systems Engineering and Electronics 2024年第1期35卷 65-73页

作者： WEN yi WANG Junxiang xu Hongbing School of Automatic Engineering University of Electronic Science and Technology of ChinaChengdu 611731China Beijing Institute of Aerospace Systems Engineering Beijing 100076China

Large calculation error can be formed by directly employing the conventional Yee’s grid to curve *** order to alleviate such condition,unconditionally stable CrankNicolson Douglas-Gunn(CNDG)algorithm with is proposed for rotationally symmetric multi-scale problems in anisotropic magnetized *** the CNDG algorithm,an alternative scheme for the simulation of anisotropic plasma is proposed in body-of-revolution *** perfectly matched layer(CPML)formulation is proposed to efficiently solve the open region *** example is carried out for the illustration of effectiveness including the efficiency,resources,and *** the results,it can be concluded that the proposed scheme shows considerable performance during the simulation.

关键词： anisotropic magnetized plasma body-of-revolution(BOR) Crank-Nicolson Douglas-Gunn(CNDG) finite-difference time-domain(FDTD) perfectly matched layer(PML) rotationally symmetric multi-scale problems

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Block dual Toeplitz Operators on the Orthogonal Complements of Fock Spaces

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Acta Mathematica Sinica,English Series 2024年第8期40卷 1967-1988页

作者： Jian Xiang DONG chun xu xu Yu Feng LU School of Mathematical Sciences Dalian University of TechnologyDalian 116024P.R.China School of Mathematics and Information Science Guangzhou UniversityGuangzhou 510006P.R.China

In this paper,we characterize the boundedness and compactness of the block dual Toeplitz operators acting on the orthogonal complement of the Fock spaces,and the compactness of the finite sum of two dual Toeplitz oper... 详细信息

关键词： Block dual Toeplitz operators boundedness compactness Fock space (semi)-commutator

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The ethical dilemma of placebo use in clinical practice

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Frontiers of Nursing 2020年第3期7卷 203-208页

作者： chun-yi xu chun-Ming Yuan Department of Orthopedics Sichuan Academy of Medical Sciences&Sichuan Provincial People’s HospitalChengduSichuan 610000China

The clinical use of placebo that involves some ethical issues has led to much *** the standpoint of both supporters and opponents,this article discusses this topic from three ethical principles such as beneficence,justice,and autonomy and also gives the ***,the moral dilemma caused by the different views between nurses and doctors in clinical practice is discussed.

关键词： placebo ethical dilemma moral distress

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Concept analysis of nurse burnout

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Frontiers of Nursing 2020年第3期7卷 227-233页

作者： chun-Ming Yuan chun-yi xu Department of Orthopaedic Sichuan Medical Academy of Science HospitalSichuan Provincial People’s HospitalChengduSichuan 610072China

Objective:To explore the concept of burnout among *** this concept analysis would expect in assisting hospital management departments in establishing supportive programmes to manage burnout of ***:Walker and Avant’s framework is adopted for the concept analysis of ***:Burnout is a syndrome that can happen among helping professions which characterized as emotional exhaustion,depersonalization,and reduced personal *** antecedents of burnout are cognitive-competence,role overload,role conflict,lack of social support,and *** the other hand,the consequences of burnout could be both personal and organizational,such as sub-clinical issues,behavioral change,absenteeism,and poor quality of ***:The analysis of burnout on its attributes,together with antecedents and consequences(Appendix A)and presenting with case study,it may help the nurse to gain a better understanding of nurse burnout and build coping strategies.

关键词： burnout emotional exhaustion depersonalization reduced personal accomplishment compassion fatigue nurse or nurses or nursing concept analysis

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Percutaneous transhepatic cholangioscopy-assisted biliary polypectomy for local palliative treatment of intraductal papillary neoplasm of the bile duct

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World Journal of Gastrointestinal Oncology 2024年第5期16卷 1821-1832页

作者： xu Ren Yong-Ping Qu chun-Lan Zhu Xiao-Hong xu Hong Jiang yi-Xia Lu Hong-Peng xue Digestive Disease Hospital of Heilongjiang Provincial Hospital Heilongjiang Provincial Clinical Medical Research Center for Minimally Invasive Diagnosis and Treatment of Pancreaticobiliary DiseasesHarbin 150001Heilongjiang ProvinceChina Digestive Endoscopy Center of Heilongjiang Provincial Hospital Heilongjiang Provincial Clinical Medical Research Center for Minimally Invasive Diagnosis and Treatment of Pancreaticobiliary DiseasesHarbin 150001Heilongjiang ProvinceChina Second Department of Gastroenterology Digestive Disease Hospital of Heilongjiang Provincial Hospitaland Heilongjiang Provincial Clinical Medical Research Center for Minimally Invasive Diagnosis and Treatment of Pancreaticobiliary DiseasesHarbin 150001Heilongjiang ProvinceChina Department of Pathology Heilongjiang Provincial HospitalHarbin 150001Heilongjiang ProvinceChina

BACKGROUND Intraductal papillary neoplasm of the bile duct(IPNB)is a premalignant biliarytype epithelial neoplasm with intraductal papillary or villous *** reported local palliative therapeutic modalities,including endoscopic nasobiliary drainage,stenting and biliary curettage,endoscopic biliary polypectomy,percutaneous biliary drainage,laser ablation,argon plasma coagulation,photodynamic therapy,and radiofrequency ablation to relieve mechanical obstruction are limited with weaknesses and *** have applied percutaneous transhepatic cholangioscopy(PTCS)-assisted biliary polypectomy(PTCS-BP)technique for the management of IPNB including mucin-hypersecreting cast-like and polypoid type tumors since *** To assess the technical feasibility,efficacy,and safety of PTCS-BP for local palliative treatment of *** Patients with mucin-hypersecreting cast-like or polypoid type IPNB and receiving PTCS-BP between September 2010 and December 2019 were ***-BP was performed by using a half-moon type snare with a soft stainless-steel wire,and the tumor was snared and resected with *** primary outcome was its feasibility,indicated by technical *** secondary outcomes were efficacy,including therapeutic success,curative resection,and clinical success,and *** Five patients(four with mucin-hypersecreting cast-like type and one with polypoid type IPNB)were ***-and high-grade intraepithelial neoplasia(HGIN)and recurrent IPNB with invasive carcinoma were observed in one,two,and two patients,*** cholangitis and/or obstructive jaundice were presented in all four patients with mucin-hypersecreting cast-like type *** five patients achieved technical success of *** patients(three with mucin-hypersecreting cast-like type and one with polypoid type IPNB)obtained therapeutic success;one with mucin-hypersecreting cast-like type tumors in the intrahepatic small bile duct and HGIN h

关键词： Intraductal papillary neoplasm of the bile duct Percutaneous transhepatic cholangioscopy Biliary polypectomy Feasibility Efficacy

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Undifferentiated high-grade pleomorphic sarcoma of the common bile duct:A case report and review of literature

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World Journal of Gastrointestinal Oncology 2024年第5期16卷 2253-2260页

作者： Li-Ping Zheng Wen-Yan Shen chun-Dong Hu chun-Hua Wang xu-Jian Chen Jing Wang yi-Yu Shen Department of General Surgery The Second Affiliated Hospital of Jiaxing UniversityJiaxing 314000Zhejiang ProvinceChina Department of Pathology The Second Affiliated Hospital of Jiaxing UniversityJiaxing 314000Zhejiang ProvinceChina

BACKGROUND Undifferentiated pleomorphic sarcoma(UPS)is a rare malignant mesenchymal tumor with a poor *** mainly occurs in the extremities,trunk,head and neck,and retroperitoneum *** to the lack of specific clinical manifestations and imaging features,UPS diagnosis mainly depends on pathological and immunohistochemical examinations for exclusive *** we report an extremely rare case of high-grade UPS in the common bile duct(CBD).There are limited available data on such *** SUMMARY A 70-year-old woman was admitted to our department with yellow eyes and urine accompanied by upper abdominal distending pain for 2 *** laboratory data suggested significantly elevated hepatorenal function *** imaging data revealed calculous cholecystitis,intrahepatic and extrahepatic bile duct dilation with extrahepatic bile duct calculi,and a space-occupying lesion at the distal *** endoscopic biliary stenting and symptomatic support therapy,CBD exploration and biopsy were *** frozen section indicated malignant spindle cell tumor of the CBD mass,and further radical pancreaticoduodenectomy was ***,the neoplasm was diagnosed as a high-grade UPS combined with the light-microscopic morphology and immunohistochemical *** This extremely rare case highlighted the need for increasing physicians'vigilance,reducing the odds of misdiagnosis,and providing appropriate treatment strategies.

关键词： Undifferentiated pleomorphic sarcoma Soft tissue sarcoma Common bile duct Extrahepatic bile duct Immunohistochemistry Case report

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