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A coarse-grained bonded particle model for large-scale rock simulation
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作者 chengshun Shang Liping Li +5 位作者 Kaiwei Chu Zongqing Zhou Guillermo Casas Wenfeng Tu yuxue chen Shangqu Sun 《Rock Mechanics Bulletin》 2024年第4期58-69,共12页
For solving the computationally intensive problem encountered by the discrete element method(DEM)in simulating large-scale engineering problems,it is essential to establish a numerical model that can effectively simul... For solving the computationally intensive problem encountered by the discrete element method(DEM)in simulating large-scale engineering problems,it is essential to establish a numerical model that can effectively simulate large-scale rocks.In this study,the coarse-graining effect of a linear-Mindlin with bonding model was studied in the unconfined compression strength(UCS)and Brazilian tensile strength(BTS)tests.We found that the main reason for the coarse-graining effect of the BTS tests is that the type I fracture toughness is positively correlated with the size of the particles.Based on the results analysis and fracture mechanics,the coarse-grained(CG)modeling theory was combined with a bonded particle model(BPM)for the first time and a coarse-grained bonded particle model(CG-BPM)was developed,which can be effectively used to model the tensile strength of large-scale rocks with different particle sizes.The excavation damage zone(EDZ)in an underground research laboratory(URL)was selected as an application case,which shows that the coarse-grained bonding model presented in this paper is more accurate and reliable than the traditional one in large-scale rock simulation,at least in the scenario where tensile failure is dominant. 展开更多
关键词 Numerical simulation Discrete element method(DEM) Coarse-grained bonded particle model(CGBPM) Large-scale rock
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碱催化下单-1-取代-1,2,3-三唑选择性氢-氘交换反应研究
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作者 李冬英 邱闪光 +4 位作者 陈昱学 赵艳梅 魏云龙 吴禄勇 陈文豪 《有机化学》 SCIE CAS CSCD 北大核心 2022年第9期2898-2905,共8页
探索了一种碱催化下单-1-取代的1,2,3-三唑的选择性氢-氘交换反应.以t-Bu OK,t-Bu ONa或Cs_(2)CO_(3)作为碱,单-1-取代的1,2,3-三唑在二甲基亚砜(DMSO)-d6溶液中可以选择性地实现C5位置的氘代.在相应的反应条件下, 4,5-双氘代1,2,3-三... 探索了一种碱催化下单-1-取代的1,2,3-三唑的选择性氢-氘交换反应.以t-Bu OK,t-Bu ONa或Cs_(2)CO_(3)作为碱,单-1-取代的1,2,3-三唑在二甲基亚砜(DMSO)-d6溶液中可以选择性地实现C5位置的氘代.在相应的反应条件下, 4,5-双氘代1,2,3-三唑在相应的反应条件下进行氘-氢交换,可以选择性地实现C5位置的去氘代过程,从而实现C4氘代的1,2,3-三唑化合物的合成.同时,三唑环辅助下的苯环上的氢-氘交换过程也被观察到. 展开更多
关键词 氢-氘交换 标记化合物 单-1-取代-1 2 3-三唑 碱催化
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Machine-learning-based models assist the prediction of pulmonary embolism in autoimmune diseases:A retrospective,multicenter study
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作者 Ziwei Hu Yangyang Hu +14 位作者 Shuoqi Zhang Li Dong Xiaoqi chen Huiqin Yang Linchong Su Xiaoqiang Hou Xia Huang Xiaolan Shen Cong Ye Wei Tu Yu chen yuxue chen Shaozhe Cai Jixin Zhong Lingli Dong 《Chinese Medical Journal》 SCIE CAS 2024年第15期1811-1822,共12页
Background:Pulmonary embolism(PE)is a severe and acute cardiovascular syndrome with high mortality among patients with autoimmune inflammatory rheumatic diseases(AIIRDs).Accurate prediction and timely intervention pla... Background:Pulmonary embolism(PE)is a severe and acute cardiovascular syndrome with high mortality among patients with autoimmune inflammatory rheumatic diseases(AIIRDs).Accurate prediction and timely intervention play a pivotal role in enhancing survival rates.However,there is a notable scarcity of practical early prediction and risk assessment systems of PE in patients with AIIRD.Methods:In the training cohort,60 AIIRD with PE cases and 180 age-,gender-,and disease-matched AIIRD non-PE cases were identified from 7254 AIIRD cases in Tongji Hospital from 2014 to 2022.Univariable logistic regression(LR)and least absolute shrinkage and selection operator(LASSO)were used to select the clinical features for further training with machine learning(ML)methods,including random forest(RF),support vector machines(SVM),neural network(NN),logistic regression(LR),gradient boosted decision tree(GBDT),classification and regression trees(CART),and C5.0 models.The performances of these models were subsequently validated using a multicenter validation cohort.Results:In the training cohort,24 and 13 clinical features were selected by univariable LR and LASSO strategies,respectively.The five ML models(RF,SVM,NN,LR,and GBDT)showed promising performances,with an area under the receiver operating characteristic(ROC)curve(AUC)of 0.962-1.000 in the training cohort and 0.969-0.999 in the validation cohort.CART and C5.0 models achieved AUCs of 0.850 and 0.932,respectively,in the training cohort.Using D-dimer as a pre-screening index,the refined C5.0 model achieved an AUC exceeding 0.948 in the training cohort and an AUC above 0.925 in the validation cohort.These results markedly outperformed the use of D-dimer levels alone.Conclusion:ML-based models are proven to be precise for predicting the onset of PE in patients with AIIRD exhibiting clinical suspicion of PE.Trial Registration:Chictr.org.cn:ChiCTR2200059599. 展开更多
关键词 Autoimmune inflammatory rheumatic diseases Pulmonary embolism Predictive model Machine learning
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