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991.
获得覆盖较宽温度和压力范围内的等离子体热力学和输运性质是开展等离子体传热和流动过程数值模拟的必要条件.本文通过联立Saha方程、道尔顿分压定律以及电荷准中性条件求解等离子体组分;采用理想气体动力学理论计算等离子体热力学性质;基于Chapman-Enskog方法求解等离子体输运性质.利用上述方法计算了压力为0.1, 1.0和10.0 atm (1 atm=101325 Pa),电子温度在300—30000 K范围内,非局域热力学平衡(电子温度不等于重粒子温度)条件下氩-氮等离子体的热力学和输运性质.结果表明压力和非平衡度会影响等离子体中各化学反应过程,从而对氩-氮等离子体的热力学及输运性质有较大的影响.在局域热力学平衡条件下,计算获得的氩-氮等离子体输运性质和文献报道的数据符合良好. 相似文献
992.
桥小脑角区(CPA)肿瘤的精准分割在手术治疗、放疗中有重要影响,本文结合更快速区域卷积神经网络(Faster-RCNN)和水平集(Level-Set)方法对CPA肿瘤的自动分割进行了研究.首先,采集317名CPA肿瘤患者的T1WI-SE序列磁共振图像,使用基于Faster-RCNN主干网络VGG16提取特征,结合区域建议网络(RPN)进行学习训练,建立带有CPA肿瘤位置信息的定位模型,再应用Level-Set对肿瘤进行精准分割.本文对比了不同CPA肿瘤区域勾画范围对分割结果产生的影响,并以精确率、召回率、均值平均精度值(mAP)和戴斯系数(Dice系数)等指标评估了模型定位和分割的性能.实验结果表明,结合Faster-RCNN和Level-Set建立的模型能更有效对CPA肿瘤进行精准分割,减轻临床医生的负担,并提升治疗效果. 相似文献
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995.
Patrícia Santiago de Oliveira Patricio Iaci Miranda Pereira Natália Cristina Ferreira da Silva Eliane Ayres Fabiano Vargas Pereira Rodrigo Lambert Oréfice 《European Polymer Journal》2013
Polyurethane waterborne synthesis was performed using a two-step method, commonly referred to as a prepolymer method. Nanocomposites based on waterborne polyurethane and cellulose nanocrystals were prepared by the prepolymer method by altering the mode and step in which the nanofillers were incorporated during the polyurethane formation. The morphology, structural, thermal, and mechanical properties of the resulting nanocomposite films were evaluated by Fourier transform infrared spectroscopy (FTIR), small angle X-ray scattering (SAXS), scanning electron microscopy (SEM), and tensile tests. FTIR results indicated that the degree of interaction between the nanofillers and the WPU through hydrogen bonds could be controlled by the method of cellulose nanocrystal incorporation. Data obtained from SAXS experiments showed that the cellulose nanocrystals as well as the step of the reaction in which they are added influenced the morphology of the polyurethane. The reinforcing effect of CNCs on the nanocomposites depends on their morphology. 相似文献
996.
Jian‐You Li Ying Peng Ling‐Zhi Li Pin‐Yi Gao Chang Gao Su‐Xia Xia Shao‐Jiang Song 《Helvetica chimica acta》2013,96(2):313-319
Two new abietane‐type diterpenoids, named triptobenzene R ( 1 ) and triptobenzene S ( 2 ), together with three known abietane‐type diterpenoids, triptophenolide ( 3 ), triptonodiol ( 4 ), and triptonoterpene methyl ether ( 5 ), were isolated from the roots of Tripterygium wilfordii Hook . f. Their structures and relative configurations were established by detailed spectral studies, including 1D‐ and 2D‐NMR (HSQC, HMBC, and NOESY), and HR‐ESI‐TOF‐MS, and by comparison with published data. Their absolute configurations were assigned by the CD technique, applied for the first time to abietane diterpenes from Tripterygium wilfordii. Compound 2 is the first abietane‐type norditerpenoid isolated from the genus Tripterygium. 相似文献
997.
Two new spirostanol saponins, namely elephanosides G and H ( 1 and 2 , resp.) were isolated from the leaves of Yucca elephantipes (Agavaceae), together with the two known furostanol saponins 3 and 4 and the six known flavonoid O‐ and C‐glycosides 5 – 10 . The new structures were elucidated as (3β,25S)‐spirost‐5‐en‐3‐yl O‐β‐D ‐glucopyranosyl‐(1→3)‐O‐β‐D ‐glucopyranosyl‐(1→4)‐β‐D ‐galactopyranoside ( 1 ) and (3β,5β,25R)‐3‐[(2‐O‐β‐D ‐glucopyranosyl‐β‐D ‐galactopyranosyl)oxy]spirostan‐12‐one ( 2 ) on the basis of detailed spectroscopic analysis and acidic hydrolysis. 相似文献
998.
Nonstationarity and related measures for time‐dependent hartree–fock and multiconfigurational models
Anatoliy V. Luzanov 《International journal of quantum chemistry》2013,113(23):2489-2505
Based on an earlier article (Eberly and Singh, Phys. Rev. D 1973 , 7, 359) and related works on short‐time evolution, this article proposes a many‐electron formulation for the nonstationarity degree which can be assigned to quantum system at each time point. The key measure introduced, , is a nonstationarity index that can be thought of as an inverse nominal lifetime at each instance of time. The index is directly computed from the time derivative of one‐electron density matrix and is a size‐consistent quantity. In this article, the approach is developed for the time‐dependent Hartree–Fock (TDHF), single‐excitation (TDCIS), and time‐dependent full configuration interaction (TDFCI) models. As a rule, nonstationarity effects are more pronounced in correlated electron systems, and a joint analysis of and the multiconfigurational character of wave functions apparently provide a deeper insight into dynamical molecular processes. The performed calculations on small molecules in laser fields show a preference for the TDCIS model when comparing TDCIS and TDHF with the “exact” TDFCI model. © 2013 Wiley Periodicals, Inc. 相似文献
999.
Makoto Hatakeyama Takako Mashiko Hisanao Hazama Kunio Awazu Masanori Tachikawa 《International journal of quantum chemistry》2013,113(2):125-129
To investigate the correlation between the wavelength dependence of ionization threshold fluence of target molecule in matrix‐assisted laser desorption/ionization by infrared (IR) laser and the IR absorption spectrum of matrix molecule, we have analyzed the IR absorption spectra of four matrix molecules using density functional theory and correlated ab initio molecular orbital method. The calculated IR absorption spectra of the isolated molecules showed more qualitative correlation with the wavelength dependence of ionization threshold fluence than those of the solid state structures. We can consider that a portion of matrix molecules lost the ordered crystal structure and that the transition to the diluted or isolated state occurred at the early process of IR laser irradiation. © 2012 Wiley Periodicals, Inc. 相似文献
1000.
The solubility of newly synthesized chelating agents, i.e., tetraethylene glycol bis (2-ethylhexyl) dimethyl diphosphate (EG4EH), tetraethylene glycol bis (n-octyl) dimethyl diphosphate (EG4Oct), and tetraethylene glycol bis (2-butoxyethyl) dimethyl diphosphate (EG4BOE) in supercritical carbon dioxide (scCO2) were determined at temperatures ranging from (318.15 to 333.15) K and pressures ranging from (12 to 21) MPa. Solubility increases in the order of EG4Oct (MW = 606.33) < EG4BOE (MW = 582.26) < EG4EH (MW = 606.33), indicating that branched side chains of the ligands play an important part in increasing solubility in scCO2. Semi empirical density-based models proposed by Bartle and Chrastil were used to correlate the experimental data, and AARD values were calculated to be (1.2 to 2.9)% and (0.40 to 0.93)% for Bartle and Chrastil model, respectively. Additionally, the partial molar volumes of those compounds were estimated following the theory developed by Kumar and Johnston. 相似文献