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聚乙烯结晶区的交叉极化动力学研究 被引量:5
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作者 刘志建 舒婕 +1 位作者 张莉莉 陈群 《波谱学杂志》 CAS CSCD 北大核心 2008年第2期159-164,共6页
研究了单轴拉伸的聚乙烯(PE)纤维结晶区的1H-13C交叉极化(CP)动力学,发现在魔角旋转(MAS)条件下,质子的同核偶极相互作用变弱,其CP动力学可以用I-I*-S模型描述.沿MAS转轴整齐排列的纤维样品CP动力学曲线随接触时间的增加振荡上升,与斜... 研究了单轴拉伸的聚乙烯(PE)纤维结晶区的1H-13C交叉极化(CP)动力学,发现在魔角旋转(MAS)条件下,质子的同核偶极相互作用变弱,其CP动力学可以用I-I*-S模型描述.沿MAS转轴整齐排列的纤维样品CP动力学曲线随接触时间的增加振荡上升,与斜方晶相比,单斜晶曲线的振荡更为明显,而非取向样品的CP动力学曲线则单调上升.说明经过单轴拉伸的PE样品中斜方晶和单斜晶都在一定程度上沿着拉伸方向排列,而单斜晶的取向度高于斜方晶,上述结果表明测量在MAS条件下的CP动力学可以成为表征分子取向度的一种新方法. 展开更多
关键词 固体NMR 交叉极化动力学 聚乙烯 取向
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2003年度力学科学处面上项目资助情况介绍
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作者 詹世革 孟庆国 《力学进展》 EI CSCD 北大核心 2003年第4期562-564,共3页
经力学专家评审组及数理科学部工作会议审议,2003年度力学科学处面上资助项目已确定(见附表1).现将有关信息公布如下:
关键词 2003年 力学科学 项目资助 固体力学 流体力学 交叉力学
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中国数学力学物理学高新技术交叉研究学会第九届学术年会暨理事会换届会议在重庆市召开
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《商丘师范学院学报》 CAS 2003年第2期51-51,共1页
2002年7月27日至8月1日,来自全国各地的60余名专家、学者聚集在山城重庆,隆重举行中国数学力学物理学高新技术交叉研究学会第九届学术年会(MMPH-9)暨理事会换届会议,重庆师范学院承办了这次会议.学会常务副理事长罗绍凯教授主持开幕式,... 2002年7月27日至8月1日,来自全国各地的60余名专家、学者聚集在山城重庆,隆重举行中国数学力学物理学高新技术交叉研究学会第九届学术年会(MMPH-9)暨理事会换届会议,重庆师范学院承办了这次会议.学会常务副理事长罗绍凯教授主持开幕式,理事长焦善庆教授致开幕词,重庆师范学院副院长黄翔教授到会致贺,对与会代表表示热烈的欢迎,学会副理事长王新志教授即兴发言,畅谈了16年来参加MMPH会议的感受以及学科交叉研究的意义. 展开更多
关键词 中国数学力学物理学高新技术交叉研究学会 第九届学术年会 理事会换届会议 重庆
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中国数学力学物理学高新技术交叉研究学会第11届学术年会暨庆祝学会成立20周年大会征文通知
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《商丘师范学院学报》 CAS 2005年第5期17-17,共1页
关键词 中国数学力学物理学高新技术交叉研究学会 数学 物理学 力学 交叉研究 学术年会 第一作者 来稿 浙江理工大学
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贪婪算法在药材提取优化改良中的应用及其动力学模型探究
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作者 孙鹏 尹海波 +2 位作者 常成栋 贾晓晴 邵飞 《实用手外科杂志》 2016年第1期85-88,共4页
目的合理的方法设计是优化药物提取思路的重要条件。基于非线性贪婪算法的新方法探究是一种利用数学模型探寻快速合理的新型提取方法的有效尝试。方法以贪婪算法为指导设计实验,以已报道的穿山龙药材的提取现状为基础。以含量测定结合... 目的合理的方法设计是优化药物提取思路的重要条件。基于非线性贪婪算法的新方法探究是一种利用数学模型探寻快速合理的新型提取方法的有效尝试。方法以贪婪算法为指导设计实验,以已报道的穿山龙药材的提取现状为基础。以含量测定结合显微观察为考察评价指标,探究评估新型的提取方案。同时结合植物显微结构的特征。建立低功率超声与回流的交叉提取的动力学模型,探究低功率超声强化回流提取的理论基础。结果基于贪婪算法的设计思路得到的“超声强化回流提取”在穿山龙活性成分提取中具有明显的优越性。与传统的提取方法相比皂苷提取率高出0.15%,多糖的提取率高出0.30%,且大大缩短了提取时间,增大了细胞破壁率。结论尝试拓宽中药材提取思路,为药材的提取提供新的思路和方法。 展开更多
关键词 穿山龙 提取工艺 贪婪算法 交叉提取动力学模型
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HF化学激光放大器的交叉弛豫动力学研究 被引量:1
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作者 范安辅 高智 周昕 《中国科学(A辑)》 CSCD 1998年第8期742-750,共9页
在低气压超声速cwHF化学激光放大器中 ,假设平动和转动非平衡交叉弛豫同时起作用 .对于气流介质的层流和湍流扩散混合两类流动模型 ,分别导出了饱和增益谱的表示式 ,并进行了数值计算 .计算结果表明 ,湍流扩散混合模型与实验结果符合得... 在低气压超声速cwHF化学激光放大器中 ,假设平动和转动非平衡交叉弛豫同时起作用 .对于气流介质的层流和湍流扩散混合两类流动模型 ,分别导出了饱和增益谱的表示式 ,并进行了数值计算 .计算结果表明 ,湍流扩散混合模型与实验结果符合得更好 . 展开更多
关键词 化学激光器 交叉驰豫动力学 层流 湍流
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Full Quantum State Resolved Scattering Dynamics of the F+H_(2)→HF+H Reaction at 5.02 kJ/mol 被引量:1
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作者 邱明辉 任泽峰 +4 位作者 车丽 戴东旭 史提夫 王秀岩 杨学明 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第2期93-95,共3页
A crossed molecular beams, state-to-state scattering study was carried out on the F+H2→HF+H reaction at the collision energy of 5.02 kJ/mol, using the highly sensitive H atom Rydberg tagging time-of-flight method. ... A crossed molecular beams, state-to-state scattering study was carried out on the F+H2→HF+H reaction at the collision energy of 5.02 kJ/mol, using the highly sensitive H atom Rydberg tagging time-of-flight method. All the peaks in the TOF spectra can be clearly assigned to the ro-vibrational structures of the HF product. The forward scattering of the HF product at v′=3 has been observed. The small forward scattering of the HF product at v′=2 has also been detected. Detailed theoretical analysis is required in order to fully understand the dynamical origin of these forward scattering products at this high collision energy. 展开更多
关键词 Crossed molecular beams Reactive scattering State-to-state dynamics Reaction resonance
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液态甲胺中双稳态溶剂化双电子:神秘的自旋交叉动力学及双电子交换(英文)
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作者 步宇翔 罗奇 《山东大学学报(理学版)》 CAS CSCD 北大核心 2021年第10期113-126,共14页
本文利用从头算分子动力学模拟研究了一类普适液体介质(液态甲胺)中溶剂化双电子的结构及动力学行为,揭示了其独特的结构特征及时间演化动力学,特别是发现了溶剂化双电子具有迷人的自旋交叉动力学特征,是一类双稳态的双极化子。模拟结... 本文利用从头算分子动力学模拟研究了一类普适液体介质(液态甲胺)中溶剂化双电子的结构及动力学行为,揭示了其独特的结构特征及时间演化动力学,特别是发现了溶剂化双电子具有迷人的自旋交叉动力学特征,是一类双稳态的双极化子。模拟结果表明,液态甲胺中2个电子优先定域于2个独立的溶剂笼,且进行非协同时间演化。单态时具有稳态动力学演化特征,而三态时则表现为电子交换动力学。非常有趣的是单态及三态轨迹均表明此类动态双极化子展现了双稳态,在时间演化上呈现铁磁态与反铁磁态之间频繁的自旋转换。本工作首次详细报道了一类广泛应用液态介质中双稳态溶剂化双电子的动态自旋交叉现象及动力学规律,为探索此类磁性液体的实际应用提供了新的见解。 展开更多
关键词 溶剂化双电子 双稳态双极化子 自旋交叉力学 电子迁移 从头算分子动力学模拟自我评价
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Cellular automata modeling of pedestrian's crossing dynamics 被引量:6
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作者 张晋 王慧 李平 《Journal of Zhejiang University Science》 CSCD 2004年第7期835-840,共6页
Cellular automata modeling techniques and the characteristics of mixed traffic flow were used to derive the 2-dimensional model presented here for simulation of pedestrian’s crossing dynamics. A conception of “stop... Cellular automata modeling techniques and the characteristics of mixed traffic flow were used to derive the 2-dimensional model presented here for simulation of pedestrian’s crossing dynamics. A conception of “stop point” is introduced to deal with traffic obstacles and resolve conflicts among pedestrians or between pedestrians and the other vehicles on the crosswalk. The model can be easily extended, is very efficient for simulation of pedestrian’s crossing dy- namics, can be integrated into traffic simulation software, and has been proved feasible by simulation experiments. 展开更多
关键词 Cellular automata modeling Pedestrian’s crossing dynamics Traffic simulation
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Differential Cross Sections of F+HD→DF+H Reaction at Collision Energies from 3.03 meV to 17.97 meV
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作者 Heilong Wang Yu Li +3 位作者 Zhirun Jiao Hongtao Zhang Chunlei Xiao Xueming Yang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2021年第6期925-931,I0005,共8页
The prototypical reaction of F+HD→DF+H was investigated at collision energies from 3.03 meV to 17.97 meV using a crossed molecular beam apparatus with multichannel Rydberg tagging time-of-flight detection.Significant... The prototypical reaction of F+HD→DF+H was investigated at collision energies from 3.03 meV to 17.97 meV using a crossed molecular beam apparatus with multichannel Rydberg tagging time-of-flight detection.Significant contributions from both the BornOppenheimer(BO)forbidden reaction F^(*)(^(2)P_(1/2))+HD→DF+H and the BO-allowed reaction F(^(2)P_(3/2))+HD→DF+H were observed.In the backward scattering direction,the contribution from the BO-forbidden reaction F^(*)(^(2)P_(1/2))+HD was found to be considerably greater than the BO-allowed reaction F(^(2)P_(3/2))+HD,indicating the non-adiabatic effects play an important role in the dynamics of the title reaction at low collision energies.Collision-energy dependence of differential cross sections(DCSs)in the backward scattering direction was found to be monotonously decreased as the collision energy decreases,which does not support the existence of resonance states in this energy range.DCSs of both BO-allowed and BO-forbidden reactions were measured at seven collision energies from 3.03 meV to 17.97 meV.It is quite unexpected that the angular distribution gradually shifts from backward to sideway as the collision energy decreases from 17.97 meV to 3.03 meV,suggesting some unknown mechanisms may exist at low collision energies. 展开更多
关键词 Reaction dynamics Crossed beam experiment Non-adiabatic effects Low collision energy
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Understanding Photolysis of CH_(3)ONO_(2) with on-the-fly Nonadiabatic Dynamics Simulation at the ADC(2) Level
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作者 Juanjuan Zhang Jiawei Peng +2 位作者 Deping Hu Chao Xu Zhenggang Lan 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第3期451-460,I0002,共11页
The nonadiabatic dynamics of methyl nitrate(CH_(3)ONO_(2))is studied with the on-the-fy trajectory surface hopping dynamics at the ADC(2)level.The results confirmed the existence of the ultrafast nonadiabatic decay to... The nonadiabatic dynamics of methyl nitrate(CH_(3)ONO_(2))is studied with the on-the-fy trajectory surface hopping dynamics at the ADC(2)level.The results confirmed the existence of the ultrafast nonadiabatic decay to the electronic ground state.When the dynamics starts from S_(1) and S_(2),the photoproducts are CH_(3)O+NO_(2),consistent with previous results obtained from the experimental studies and theoretical dynamics simulations at more accurate XMS-CASPT2 level.The photolysis products are CH_(3)O+NO_(2) at the ADC(2)level when the dynamics starts from S3,while different photolysis products were obtained in previous experimental and theoretical works.These results demonstrate that the ADC(2)method may still be useful for treating the photolysis mechanism of CH_(3)ONO_(2) at the long-wavelength UV excitation,while great caution should be paid due to its inaccurate performance in the description of the photolysis dynamics at the short-wavelength UV excitation.This gives valuable information to access the accuracy when other alkyl nitrates are treated at the ADC(2)level. 展开更多
关键词 Alkyl nitrate Nonadiabatic dynamics PHOTOLYSIS Conical intersection Volatile organic compound
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Study on Landslide Surge in Reservoir Area
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作者 Han Kai Peng Hui +2 位作者 Wu Fan Yin Shaofei Li Wenguang 《Journal of Environmental Science and Engineering(B)》 2017年第6期323-327,共5页
Landslide surge is a fluid-solid coupling problem involving multidisciplinary intersections such as landslide dynamics, fluid mechanics and mechanics along the way, which has important research value. The construction... Landslide surge is a fluid-solid coupling problem involving multidisciplinary intersections such as landslide dynamics, fluid mechanics and mechanics along the way, which has important research value. The construction of the reservoir will affect the natural geological conditions of the slope of the reservoir area, slope rock under the joint effect of the waves and the reservoir water level changes, which will cause the reservoir bank collapse and even landslides. The occurrence of landslide will cause some loss. In this paper, the types of landslide generation, disaster classification, research methods and existing problems are reviewed. It makes people understand the basic research ideas of landslide surge. Through the analysis and discussion of the different research methods of landslide surges, the shortcomings of these analytical methods are analyzed, which provide important basis for future research and indicate the future research methods and direction. 展开更多
关键词 Landslide surge METHOD PROBLEM PROSPECT
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Crossed Molecular Beams and Theoretical Studies of the O(~3P)+1,2-Butadiene Reaction:Dominant Formation of Propene+CO and Ethylidene+Ketene Molecular Channels
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作者 Adriana Caracciolo Gianmarco Vanuzzo +4 位作者 Nadia Balucani Domenico Stranges Silvia Tanteri Carlo Cavallotti Piergiorgio Casavecchia 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2019年第1期113-122,I0002,共11页
Detailed understanding of the mechanism of the combustion relevant multichannel reactions of O(3P) with unsaturated hydrocarbons (UHs) requires the identification of all primary reaction products, the determination of... Detailed understanding of the mechanism of the combustion relevant multichannel reactions of O(3P) with unsaturated hydrocarbons (UHs) requires the identification of all primary reaction products, the determination of their branching ratios and assessment of intersystem crossing (ISC) between triplet and singlet potential energy surfaces (PESs). This can be best achieved combining crossed-molecular-beam (CMB) experiments with universal, soft ionization, mass-spectrometric detection and time-of-flight analysis to high-level ab initio electronic structure calculations of triplet/singlet PESs and RRKM/Master Equation computations of branching ratios (BRs) including ISC. This approach has been recently demonstrated to be successful for O(3P) reactions with the simplest UHs (alkynes, alkenes, dienes) containing two or three carbon atoms. Here, we extend the combined CMB/theoretical approach to the next member in the diene series containing four C atoms, namely 1,2-butadiene (methylallene) to explore how product distributions, branching ratios and ISC vary with increasing molecular complexity going from O(3P))+propadiene to O(3P)+1,2-butadiene. In particular, we focus on the most important, dominant molecular channels, those forming propene+CO (with branching ratio ∽0.5) and ethylidene+ketene (with branching ratio ∽0.15), that lead to chain termination, to be contrasted to radical forming channels (branching ratio ∽0.35) which lead to chain propagation in combustion systems. 展开更多
关键词 Reactive scattering Crossed molecular beams O(3P) reaction dynamics O(3P)+diene reactions Soft electron ionization Intersystem crossing Ab initio quantum chemistry
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《商丘师范学院学报》(自然科学)2003年总目录 被引量:1
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《商丘师范学院学报》 CAS 2004年第2期180-182,共3页
关键词 自然科学 科学技术 中国数学力学物理学高新技术交叉研究学会 学报 连续出版物 商丘师范学院 商丘师院 目录 检索工具 2003
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《商丘师范学院学报》(自然科学)2006年总目次
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《商丘师范学院学报》 CAS 2007年第3期I0001-I0002,共2页
关键词 自然科学 科学技术 中国数学力学物理学高新技术交叉研究学会 学报 连续出版物 梅凤翔 目次 商丘师范学院 商丘师院
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MCL缺损对多屈曲角胫股关节力学特性影响 被引量:2
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作者 黄荣瑛 郑红光 +1 位作者 徐强 郑海东 《工程力学》 EI CSCD 北大核心 2012年第7期298-304,312,共8页
该文通过SONATA MAESTRO 1.5T采集0°/25°/60°/80°四个屈曲角下的正常膝关节的MRI图像,构建四个屈曲角位姿的正常/内侧副韧带缺损的整体胫股关节3D模型,通过对这八组模型施加不同的外翻力矩进行有限元仿真,来分析内... 该文通过SONATA MAESTRO 1.5T采集0°/25°/60°/80°四个屈曲角下的正常膝关节的MRI图像,构建四个屈曲角位姿的正常/内侧副韧带缺损的整体胫股关节3D模型,通过对这八组模型施加不同的外翻力矩进行有限元仿真,来分析内侧副韧带缺损时关节软组织及韧带的力学特性。仿真结果表明:1)膝关节外翻时,内侧副韧带缺损会引起交叉韧带的张力显著增大,前交叉韧带和后交叉韧带替代了内侧副韧带的外翻限制作用,成为抵抗外翻的主要稳定结构,其中前交叉韧带相比后交叉韧带能提供更大的外翻阻力。随着屈曲角度的增加,交叉韧带抵抗外翻的负荷均显著增大。在高屈曲角位姿时,交叉韧带尤其是前交叉韧带,极易伴随内侧副韧带断裂而产生联合损伤;2)内侧副韧带缺损降低了膝关节的直向稳定性,特别对股骨内侧髁与内侧胫骨关节面的直向稳定性的损失最为明显。膝关节的外侧关节软骨和半月板在外翻时比正常关节承受更高的负荷,同时外侧半月板传递力的能力明显下降;3)内侧副韧带损伤后,股骨软骨在小屈曲角位姿(25°屈曲角)等效应力值变化最大,而胫骨软骨和半月板在小屈曲角位姿(25°屈曲角)和高屈曲角位姿(80°屈曲角)最大等效应力值变化最为明显,外翻时最大等效应力变化最大的屈曲角位姿将更易导致关节软骨与韧带损伤。 展开更多
关键词 内侧副韧带 有限元分析 屈曲角度 膝外翻 生物力学:交叉韧带 软骨 半月板
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HIV-1整合酶G140A/G149A及T66I/S153Y突变后的构象变化 被引量:2
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作者 胡建平 唐典勇 +1 位作者 范晶 常珊 《化学学报》 SCIE CAS CSCD 北大核心 2010年第15期1499-1506,共8页
对HIV-1整合酶(IN)野生体(WT),G140A/G149A和T66I/S153Y突变体分别进行了5ns的分子动力学(MD)模拟,并用成簇和动力学交叉相关图(DCCM)分析了突变前后的构象变化.整体结构分析表明,突变后IN的活性口袋尺寸变化不大,T66I/S153Y突变体分子... 对HIV-1整合酶(IN)野生体(WT),G140A/G149A和T66I/S153Y突变体分别进行了5ns的分子动力学(MD)模拟,并用成簇和动力学交叉相关图(DCCM)分析了突变前后的构象变化.整体结构分析表明,突变后IN的活性口袋尺寸变化不大,T66I/S153Y突变体分子的整体运动性提高,而G140A/G149A突变体的功能loop区柔性明显上升.INWT的方均根涨落(RMSF)模拟值与B因子实验值的较高相关性证明了柔性分析的合理性.通过成簇分析发现,IN在突变后功能loop区构象有开合运动,构象开放的概率是:体系G140A/G149A>T66I/S153Y>WT.最后DCCM分析结果表明,功能性分区的弱化以及DDE基序残基运动相关性的降低均有可能是突变体G140A/G149A和T66I/S153Y产生抗药性的原因.模拟结果对理解IN突变体的抗药机理以及为基于HIV-1IN的药物分子设计提供了理论帮助。 展开更多
关键词 整合酶 突变体 成簇分析 力学交叉相关 构象变化
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Modeling the effects of cross-protection control in plant disease with seasonality 被引量:1
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作者 Shujing Gao Lijun Xia +1 位作者 Jialin Wang Zujin Zhang 《International Journal of Biomathematics》 2017年第6期277-300,共24页
Cross-protection in plants has been widely used to control losses caused by virus diseases in the world. Here, a non-autonomous plant-virus disease model was developed includ- ing cross-protection. Global dynamics of ... Cross-protection in plants has been widely used to control losses caused by virus diseases in the world. Here, a non-autonomous plant-virus disease model was developed includ- ing cross-protection. Global dynamics of the model was discussed. Under the quite weak assumptions, integral form conditions were resolved for permanence of the system and extinction of diseases. Furthermore, we looked into the sufficient conditions that plants could be protected against the detrimental effects of infection by an infection with the mild virus isolates. Last, we performed numerical simulations. Our investigations sug- gested that cross-protection played an important role in controlling the spread of the challenging virus in plants. 展开更多
关键词 Plant virus CROSS-PROTECTION SEASONALITY PERMANENCE extinction.
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Optimization of cross angle based on the pumping dynamics model 被引量:22
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作者 Ji-en MA You-tong FANG +1 位作者 Bing XU Hua-yong YANG 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2010年第3期181-190,共10页
The single cylinder and multi-cylinder pumping dynamics model of a swash plate piston pump were improved.Particular attention has been paid to the design influences of key parts of the valve plate such as relief groov... The single cylinder and multi-cylinder pumping dynamics model of a swash plate piston pump were improved.Particular attention has been paid to the design influences of key parts of the valve plate such as relief groove,pre-compression/ expansion and fluid inertia effect of the unsteady flow.Some important parameters,such as the discharge area,discharge coefficient,fluid bulk modulus,were especially analyzed using numerical methods or by experiment-based estimation.Consequently,the mathematical results of pressure pulsation and flow ripple agree well with experimental results from the test-rig of the flow ripple.Therefore,the cross angle and the pre-compression angle of the valve plate was optimized,based on the pumping dynamics model.Considering both the flow ripple and the cylinder pressure of the pump,the cross angle is set to be 2.2° to 2.7° with a pre-compression angle of 1.7° to 2.2°,so the pumping dynamics character can obtain the best result. 展开更多
关键词 Flow ripple Pressure pulsation Piston pump Noise
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Aggregation in Intersection Region for Distributed Heterogeneous Mobile Sensor Networks 被引量:1
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作者 ZHENG Zhi PENG Zhihong CHEN Jie 《Journal of Systems Science & Complexity》 SCIE EI CSCD 2017年第4期932-949,共18页
This paper presents two aggregation strategies in convex intersection region for the distributed mobile sensor network(MSN) with heterogeneous dynamics. First, the authors analyze individual local perception model and... This paper presents two aggregation strategies in convex intersection region for the distributed mobile sensor network(MSN) with heterogeneous dynamics. First, the authors analyze individual local perception model and dynamics model, set the intersection of all the local perceptions as the region of interest(ROI). The MSN consists of sensors with first-order dynamics and second-order dynamics. Then, the authors design a control strategy to ensure that individuals aggregate at a point in the ROI relying on their local perceptions and the locations of neighbors within their communication scope. The authors describe this situation of aggregation as rendezvous. In addition, the authors introduce artificial potential field to make sensors deploy dispersedly in a bounded range near the ROI,which the authors call dispersed deployment. Finally, the authors prove the stability of the proposed strategies and validate the theoretical results by simulations. This research is applied for the cooperative deployment and data collection of mobile platforms with different dynamics under the condition of inaccurate perception. 展开更多
关键词 AGGREGATION convex intersection heterogeneous dynamics mobile sensor.
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