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Exploring the effect of aggregation-induced emission on the excited state intramolecular proton transfer for a bis-imine derivative by quantum mechanics and our own n-layered integrated molecular orbital and molecular mechanics calculations
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作者 Huifang Zhao Chaofan Sun +2 位作者 Xiaochun Liu Hang Yin Ying Shi 《Chinese Physics B》 SCIE EI CAS CSCD 2019年第1期645-649,共5页
We theoretically investigate the excited state intramolecular proton transfer(ESIPT) behavior of the novel fluorophore bis-imine derivative molecule HNP which was designed based on the intersection of 1-(hydrazonometh... We theoretically investigate the excited state intramolecular proton transfer(ESIPT) behavior of the novel fluorophore bis-imine derivative molecule HNP which was designed based on the intersection of 1-(hydrazonomethyl)-naphthalene-2-ol and 1-pyrenecarboxaldehyde. Especially, the density functional theory(DFT) and time-dependent density functional theory(TDDFT) methods for HNP monomer are introduced. Moreover, the "our own n-layered integrated molecular orbital and molecular mechanics"(ONIOM) method(TDDFT:universal force field(UFF)) is used to reveal the aggregation-induced emission(AIE) effect on the ESIPT process for HNP in crystal. Our results confirm that the ESIPT process happens upon the photoexcitation for the HNP monomer and HNP in crystal, which is distinctly monitored by the optimized geometric structures and the potential energy curves. In addition, the results of potential energy curves reveal that the ESIPT process in HNP will be promoted by the AIE effect. Furthermore, the highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital(LUMO) for the HNP monomer and HNP in crystal have been calculated. The calculation demonstrates that the electron density decrease of proton donor caused by excitation promotes the ESIPT process. In addition, we find that the variation of atomic dipole moment corrected Hirshfeld population(ADCH) charge for proton acceptor induced by the AIE effect facilitates the ESIPT process. The results will be expected to deepen the understanding of ESIPT dynamics for luminophore under the AIE effect and provide insight into future design of high-efficient AIE compounds. 展开更多
关键词 time-dependent density functional theory(TDDFT) METHOD excited state intramolecular proton transfer(ESIPT) our own n-layered integrated MOLECULAR orbital and MOLECULAR mechanics(ONIOM) METHOD potential energy curves atomic dipole moment corrected Hirshfeld population(ADCH) charge
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Bonding and anti-bonding orbitals stable electron intensity difference theory
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作者 Xiaobing Lan Hao Lu +5 位作者 Xusheng Wang Qing Li Dongdong Li Jun Chen Peng Wang Guangfu Liao 《Chinese Journal of Catalysis》 2025年第9期6-9,共4页
Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemi... Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)). 展开更多
关键词 anti bonding orbitals adsorption surface chemistry ELECTROCHEMISTRY heterogeneous catalysis electron intensity bonding orbitals electrochemistryheterogeneous catalysisadsorptionetc
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Everything Is a Circle: A New Universal Orbital Model
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作者 Asli Pinar Tan 《Advances in Aerospace Science and Technology》 2024年第3期94-116,共23页
Based on measured astronomical position data of heavenly objects in the Solar System and other planetary systems, all bodies in space seem to move in some kind of elliptical motion with respect to each other. Accordin... Based on measured astronomical position data of heavenly objects in the Solar System and other planetary systems, all bodies in space seem to move in some kind of elliptical motion with respect to each other. According to Kepler’s 1st Law, “orbit of a planet with respect to the Sun is an ellipse, with the Sun at one of the two foci.” Orbit of the Moon with respect to Earth is also distinctly elliptical, but this ellipse has a varying eccentricity as the Moon comes closer to and goes farther away from the Earth in a harmonic style along a full cycle of this ellipse. In this paper, our research results are summarized, where it is first mathematically shown that the “distance between points around any two different circles in three-dimensional space” is equivalent to the “distance of points around a vector ellipse to another fixed or moving point, as in two-dimensional space”. What is done is equivalent to showing that bodies moving on two different circular orbits in space vector-wise behave as if moving on an elliptical path with respect to each other, and virtually seeing each other as positioned at an instantaneously stationary point in space on their relative ecliptic plane, whether they are moving with the same angular velocity, or different but fixed angular velocities, or even with different and changing angular velocities with respect to their own centers of revolution. This mathematical revelation has the potential to lead to far reaching discoveries in physics, enabling more insight into forces of nature, with a formulation of a new fundamental model regarding the motions of bodies in the Universe, including the Sun, Planets, and Satellites in the Solar System and elsewhere, as well as at particle and subatomic level. Based on the demonstrated mathematical analysis, as they exhibit almost fixed elliptic orbits relative to one another over time, the assertion is made that the Sun, the Earth, and the Moon must each be revolving in their individual circular orbits of revolution in space. With this expectation, individual orbital parameters of the Sun, the Earth, and the Moon are calculated based on observed Earth to Sun and Earth to Moon distance data, also using analytical methods developed as part of this research to an approximation. This calculation and analysis process have revealed additional results aligned with observation, and this also supports our assertion that the Sun, the Earth, and the Moon must actually be revolving in individual circular orbits. 展开更多
关键词 Solar System Planetary System PLANET Satellite Earth MOON Topology Circle Sun ELLIPSE orbit TRAJECTORY orbital Mechanics
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打破数据孤岛,数字化赋能绿色转型——访OrbitMI首席执行官Ali Riaz
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作者 薛龙玉 《中国船检》 2025年第2期26-28,共3页
近年来,航运业面临复杂多变的运营环境、日趋严格的法规要求以及不断增长的转型压力,如何借助数字化手段破局已成为关乎行业可持续发展的重要命题,布局数字化转型也成为许多航运企业适应行业变局的前瞻举措。几年前,瑞典油轮运营商Stena... 近年来,航运业面临复杂多变的运营环境、日趋严格的法规要求以及不断增长的转型压力,如何借助数字化手段破局已成为关乎行业可持续发展的重要命题,布局数字化转型也成为许多航运企业适应行业变局的前瞻举措。几年前,瑞典油轮运营商Stena Bulk投资了一系列数字化转型倡议,其中一个项目孵化出了运营平台“Orbit”,并很快与该公司的日常工作实现了无缝融合。2019年OrbitMI平台正式从Stena Bulk分拆出来,经过短短几年迅速发展,一跃成为海事软件领域的领航者。OrbitMI专注于解锁海事数据的潜藏价值,打造了集运营、财务及环境数据于一体的综合平台,并通过与业界重要相关方合作,不断巩固竞争优势。 展开更多
关键词 绿 orbit
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Role of Multi-Electron and Multi-Orbital Effects in High-Order Harmonic Generation of Benzonitrile Molecules
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作者 Man Xing Jun Wang +1 位作者 Xi Zhao Shushan Zhou 《Chinese Physics Letters》 2025年第4期43-49,共7页
Multi-electron and multi-orbital effects play a crucial role in the interaction of strong laser fields with complex molecules.Here,multi-electron effects encompass not only electron-electron Coulomb interactions and e... Multi-electron and multi-orbital effects play a crucial role in the interaction of strong laser fields with complex molecules.Here,multi-electron effects encompass not only electron-electron Coulomb interactions and exchangecorrelation effects but also the interference between the dynamics of different electron wave packets. 展开更多
关键词 electron wave packets multi electron effects multi orbital effects high order harmonic generation benzonitrile molecules exchangecorrelation effects complex moleculesheremulti electron interference dynamics
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OrbitMI的数字化解决方案
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作者 王思佳 《中国船检》 2025年第1期56-60,共5页
近日,劳氏日报揭晓了2024年度十大科技领袖榜单,OrbitMI公司的首席执行官Ali Riaz以其卓越的领导力成功上榜,位列第6。OrbitMI的前身是被誉为极具创新精神的瑞典油轮公司Stena Bulk的一个部门。Stena Bulk的全球开发团队与海事和能源专... 近日,劳氏日报揭晓了2024年度十大科技领袖榜单,OrbitMI公司的首席执行官Ali Riaz以其卓越的领导力成功上榜,位列第6。OrbitMI的前身是被誉为极具创新精神的瑞典油轮公司Stena Bulk的一个部门。Stena Bulk的全球开发团队与海事和能源专家、麻省理工学院的工程师合作,采用创新方法创建了基于实际使用案例的解决方案,建立了名为Orbit的运营平台,旨在提高效率,使公司更加灵活,增加与客户之间的透明度,并加强市场信息收集。很快,Orbit便无缝融入了Stena Bluk的日常工作。 展开更多
关键词 orbit MI
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Enhanced Spin-Orbit Torque Induced by Interfacial Scattering in Ir/Pt Superlattice
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作者 Jiahui Li Jing Dong +19 位作者 Yuqiang Wang Mingtong Zhu Yang Yao Ying Meng Jiyang Ou Guibin Lan Xuming Luo Jihao Xia Hongjun Xu Yizhan Wang Jiafeng Feng Hongxiang Wei Congli He Richeng Yu Junwei Zhang Yong Peng Nianpeng Lu Caihua Wan Xiufeng Han Guoqiang Yu 《Chinese Physics Letters》 2025年第5期140-150,共11页
The mechanisms of enhancing spin-orbit torque(SOT) have attracted significant attention, particularly regarding the influence of extrinsic scattering mechanisms on SOT efficiency, as they complement intrinsic contribu... The mechanisms of enhancing spin-orbit torque(SOT) have attracted significant attention, particularly regarding the influence of extrinsic scattering mechanisms on SOT efficiency, as they complement intrinsic contributions. In multilayer systems, extrinsic interfacial scattering, along with scattering from defects or impurities inside the materials, plays a crucial role in affecting the SOT efficiency. In this study, we successfully fabricated high-quality epitaxially grown [Ir/Pt]N superlattices with an increasing number of interfaces using a magnetron sputtering system to investigate the contribution of extrinsic interfacial scattering to SOT efficiency. We measured SOT efficiency through spin-torque ferromagnetic resonance methods and determined the spin Hall angle using the spin pumping technique. Additionally, we calculated spin transparency based on the SOT efficiency and spin Hall angle. Our findings indicate that the values of SOT efficiency, spin Hall angle, and spin transparency are enhanced in the superlattice structure compared to Pt, which we attribute to the increase in interfacial scattering.This research offers an effective strategy for designing and fabricating advanced spintronic devices. 展开更多
关键词 interfacial scattering spin transparency spin Hall angle extrinsic scattering mechanisms extrinsic interfacial scattering spin tronic devices ir pt superlattice spin orbit torque
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A Novel Model of Traumatic Optic Neuropathy Under Direct Vision Through the Anterior Orbital Approach in Non-human Primates
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作者 Zhi‑Qiang Xiao Xiu Han +9 位作者 Xin Ren Zeng‑Qiang Wang Si‑Qi Chen Qiao‑Feng Zhu Hai‑Yang Cheng Yin‑Tian Li Dan Liang Xuan‑Wei Liang Ying Xu Hui Yang 《Neuroscience Bulletin》 2025年第5期911-916,共6页
Dear Editor,Traumatic optic neuropathy(TON)is a severe vision-threatening condition,with an incidence rate ranging from 0.7% to 2.5%[1].The limited regenerative capacity of the optic nerve and the challenges of nerve ... Dear Editor,Traumatic optic neuropathy(TON)is a severe vision-threatening condition,with an incidence rate ranging from 0.7% to 2.5%[1].The limited regenerative capacity of the optic nerve and the challenges of nerve transplantation result in substantial and irreversible visual loss in patients with TON. 展开更多
关键词 traumatic optic neuropathy non human primates vision threatening condition anterior orbital approach optic nerve transplantation optic neuropathy ton nerve transplantation optic nerve
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Orbiting Eyes—Yunyao’s Weather Constellation in Command
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作者 Liu Xinwei 《China's Foreign Trade》 2025年第3期22-24,共3页
After a few days,there will be a“gazelle company”jumping f rom the Government Work Repor t of the National People’s Congress and Chinese People’s Political Consultative Conference to China International Supply Cha... After a few days,there will be a“gazelle company”jumping f rom the Government Work Repor t of the National People’s Congress and Chinese People’s Political Consultative Conference to China International Supply Chain Expo(CISCE).Tianjin Yunyao Aerospace Tech nolog y Co.,Ltd(hereinafter referred to as Yunyao Aerospace)is a young enterprise founded in March 2019.It has already obtained impressive achievements in the commercial aerospace field. 展开更多
关键词 National Peoples Congress commercial aerospace field orbiting eyes government work report China International Supply Chain Expo Yunyaos weather constellation gazelle company yunyao aerospace
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Linear Enhancement of Spin-Orbit Torque and Absence of Bulk Rashba Spin Splitting in Perpendicularly Magnetized[Pt/Co/W]_(n)Superlattices
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作者 Zhihao Yan Zhengxiao Li +2 位作者 Lujun Zhu Xin Lin Lijun Zhu 《Chinese Physics Letters》 2025年第9期126-131,共6页
The development of magnetic heterostructures with strong perpendicular magnetic anisotropy(PMA),strong spin-orbit torques(SOTs),low impedance,and good integration compatibility at the same time is central for high-per... The development of magnetic heterostructures with strong perpendicular magnetic anisotropy(PMA),strong spin-orbit torques(SOTs),low impedance,and good integration compatibility at the same time is central for high-performance spintronic memory and computing applications.Here,we report the development of the PMA superlattice[Pt/Co/W]_(n)that can be sputtered-deposited on commercial oxidized silicon substrates and has giant SOTs,strong uniaxial PMA of≈9.2 Merg/cm^(3),and rigid macrospin performance.The damping-like and field-like SOTs of the[Pt/Co/W]_(n)superlattices exhibit a linear increase with the repeat number n and reach the giant values of 225%and-33%(two orders of magnitude greater than that in clean-limit Pt)at n=12,respectively.The damping-like SOT is also of the opposite sign and much greater in magnitude than the field-like SOT,regardless of the number n.These results clarify that the spin current that generates SOTs in the[Pt/Co/W]_(n)superlattices arises predominantly from the spin Hall effect rather than bulk Rashba spin splitting,providing a unified understanding of the SOTs in these superlattices.We also demonstrate deterministic switching in thickerthan-50-nm PMA[Pt/Co/W]_(12)superlattices at a low current density.This work establishes the[Pt/Co/W]_(n)superlattice as a compelling material candidate for ultra-fast,low-power,long-retention nonvolatile spintronic memory and computing technologies. 展开更多
关键词 development magnetic heterostructures perpendicular magnetic anisotropy oxidized silicon substrates perpendicular magnetic anisotropy pma strong spin orbit torque spin Hall effect Pt Co W superlattice macrospin performance
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Combining orbital intensity modulated radiation therapy with periorbital triamcinolone acetonide injection for Graves’ orbitopathy
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作者 Huan Jian Rui-Xin Ma Wei-Min He 《International Journal of Ophthalmology(English edition)》 2025年第5期904-911,共8页
AIM:To evaluate the efficacy of combined orbital radiation and periorbital triamcinolone acetonide injection for patients with Graves’orbitopathy(GO)who experienced treatment failure with glucocorticoid pulse therapy... AIM:To evaluate the efficacy of combined orbital radiation and periorbital triamcinolone acetonide injection for patients with Graves’orbitopathy(GO)who experienced treatment failure with glucocorticoid pulse therapy(GPT).METHODS:A total of 57 eligible patients(35.09%males,mean age of 51.19±11.90y)were included in this case-series study.The medical information collected during each visit was evaluated and analyzed.RESULTS:Significant improvement was observed in patients six months after radiation therapy.Both the clinical activity score and the efficacy score showed substantial improvement(P<0.001).Furthermore,there was significant resolution of extraocular muscle inflammation on magnetic resonance imaging at three and six months after radiation therapy.The initial high signal intensity ratio(SIR)max was found to be associated with greater improvement in SIR sum(P<0.001,B=2.002,95%CI:1.377 to 2.628),while the presence of sight-threatening stage or moderate to severe diplopia negatively influenced the improvement of SIR sum(P=0.045,0.008,0.006;B=-1.966,-1.478,-0.997;95%CI:-3.886 to-0.045,-2.552 to-0.403,-1.694 to-0.300;respectively).CONCLUSION:The combination therapy demonstrates significant effectiveness in treating patients with GO who experienced severe ocular inflammation and have previous GPT failure.Noticeable improvement is observed as early as one month after initiating radiation therapy,and patients with more severe inflammatory states showes greater benefit from the treatment. 展开更多
关键词 Graves’orbitopathy thyroid ophthalmopathy orbital radiation periorbital injection glucocorticoid pulse therapy
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Transmission mechanism from orbital forced climate change to organic matter and shale oil enrichment:A case study of Gulong shale oil in the Cretaceous Qingshankou Formation,Songliao Basin,NE China
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作者 WANG Huajian LIU Zhenwu +5 位作者 LI Shan LIU Yuke GAO Shuang LYU Yiran WU Huaichun ZHANG Shuichang 《Petroleum Exploration and Development》 2025年第5期1222-1234,共13页
Taking the GY8HC well in the Gulong Sag of the Songliao Basin,NE China,as an example,this study utilized high-precision zircon U-Pb ages from volcanic ashes and AstroBayes method to estimate sedimentation rates.Throug... Taking the GY8HC well in the Gulong Sag of the Songliao Basin,NE China,as an example,this study utilized high-precision zircon U-Pb ages from volcanic ashes and AstroBayes method to estimate sedimentation rates.Through spectral analysis of high-resolution total organic carbon content(TOC),laboratory-measured free hydrocarbons(S_(1)),hydrocarbons formed during pyrolysis(S_(2)),and mineral contents,the enrichment characteristics and controlling factors of shale oil in an overmature area were investigated.The results indicate that:(1)TOC,S_(1),and S_(2)associated with shale oil enrichment exhibit a significant 173×10^(3)a obliquity amplitude modulation cycle;(2)Quartz and illite/smectite mixed-layer contents related to lithological composition show a significant 405×10^(3)a long eccentricity cycle;(3)Comparative studies with the high-maturity GY3HC well and moderate-maturity ZY1 well reveal distinct in-situ enrichment characteristics of shale oil in the overmature Qingshankou Formation,with a significant positive correlation to TOC,indicating that high TOC is a key factor for shale oil enrichment in overmature areas;(4)The sedimentary thickness of 12-13 m corresponding to the 173×10^(3)a cycle can serve as the sweet spot interval height for shale oil development in the study area,falling within the optimal fracture height range(10-15 m)generated during hydraulic fracturing of the Qingshankou shale.Orbitally forced climate changes not only controlled the sedimentary rhythms of organic carbon burial and lithological composition in the Songliao Basin but also influenced the enrichment characteristics and sweet spot distribution of Gulong shale oil. 展开更多
关键词 Earth orbits climate change organic matter enrichment Songliao Basin CRETACEOUS Qingshankou Formation Gulong shale oil
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基于UPLC-Q-Orbitrap-MS的整合定性策略分析茯苓类药材差异化学成分
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作者 王佳媛 范晓涵 +7 位作者 魏晓晓 曹蓉 王进 王蕾 许凤清 黄顺旺 吴德玲 赵宏苏 《中国实验方剂学杂志》 北大核心 2025年第7期148-156,共9页
目的:基于超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法(UPLC-Q-Orbitrap-MS),联合质量亏损过滤(MDF)和分子网络整合技术,建立快速鉴定茯苓类药材中差异化学成分的分析方法。方法:采用UPLC-Q-Orbitrap-MS对茯苓类药材进行质谱数据... 目的:基于超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法(UPLC-Q-Orbitrap-MS),联合质量亏损过滤(MDF)和分子网络整合技术,建立快速鉴定茯苓类药材中差异化学成分的分析方法。方法:采用UPLC-Q-Orbitrap-MS对茯苓类药材进行质谱数据采集及鉴定,借助MDF对三萜类成分进行裂解行为研究和结构鉴定,基于各成分MS/MS离子碎片的相似度创建全球天然产物社会分子网络(GNPS),利用软件Cytoscape 3.6.1可视化结构相似的分子簇,对主要的化合物类别的结构进行鉴定及确证。采用主成分分析(PCA)和正交偏最小二乘法-判别分析(OPLS-DA)等多元统计分析,以变量重要性投影(VIP)值>1、P<0.05为标准筛选5种茯苓类药材的差异成分。结果:通过数据库比对鉴定出66种化合物,经MDF新鉴定出8种化合物,经GNPS新鉴定出28种化合物,共鉴定出102种化学成分,其中三萜类成分43种,糖类成分16种,氨基酸及肽类26种,核苷类3种,其他类化合物14种。茯苓皮和野生茯神中的三萜类成分居多,茯苓和人工茯神的氨基酸及肽类成分最多,茯苓皮的糖类成分最多,茯苓和人工茯神中Ⅰ型三萜和Ⅱ型三萜含量较高,茯苓皮中Ⅲ型三萜含量较高,茯神木中4种类型的三萜类均含量较高,野生茯神中Ⅰ型、Ⅱ型、Ⅳ型三萜含量较高。筛选出12种共有差异化学成分,包括丝氨酸、鸟嘌呤核苷、没食子酸、2-辛烯醛、麦芽三糖、栓菌酸、去氢齿孔酸、松苓新酸、茯苓酸A、茯苓酸B、茯苓酸E、茯苓酸G,在不同茯苓类药材中的相对含量存在明显差异。结论:在5种茯苓类药材中,成分的种类整体相似,但其相对含量存在显著差异,尤其是在三萜类成分的分布上。UPLC-Q-Orbitrap-MS、MDF与GNPS整合技术的联用,可为其他中药的快速定性分析提供思路。 展开更多
关键词 超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法(UPLC-Q-orbitrap-MS)
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Efficient Orbit Propagation of Orbital Elements Using Modified Chebyshev Picard Iteration Method
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作者 J.L.Read A.Bani Younes J.L.Junkins 《Computer Modeling in Engineering & Sciences》 SCIE EI 2016年第1期65-81,共17页
This paper focuses on propagating perturbed two-body motion using orbital elements combined with a novel integration technique.While previous studies show that Modified Chebyshev Picard Iteration(MCPI)is a powerful to... This paper focuses on propagating perturbed two-body motion using orbital elements combined with a novel integration technique.While previous studies show that Modified Chebyshev Picard Iteration(MCPI)is a powerful tool used to propagate position and velocity,the present results show that using orbital elements to propagate the state vector reduces the number of MCPI iterations and nodes required,which is especially useful for reducing the computation time when including computationally-intensive calculations such as Spherical Harmonic gravity,and it also converges for>5.5x as many revolutions using a single segment when compared with cartesian propagation.Results for the Classical Orbital Elements and the Modified Equinoctial Orbital Elements(the latter provides singularity-free solutions)show that state propagation using these variables is inherently well-suited to the propagation method chosen.Additional benefits are achieved using a segmentation scheme,while future expansion to the two-point boundary value problem is expected to increase the domain of convergence compared with the cartesian case.MCPI is an iterative numerical method used to solve linear and nonlinear,ordinary differential equations(ODEs).It is a fusion of orthogonal Chebyshev function approximation with Picard iteration that approximates a long-arc trajectory at every iteration.Previous studies have shown that it outperforms the state of the practice numerical integrators of ODEs in a serial computing environment;since MCPI is inherently massively parallelizable,this capability is expected to increase the computational efficiency of the method presented. 展开更多
关键词 PROPAGATION Integration orbital Mechanics Classical Elements MODIFIED Equinoctial CHEBYSHEV PICARD Iteration MCPI Polynomials Initial Value Problem IVP.
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Spin and orbital manipulation of multiple atomic sites by high-entropy effect for catalyzing cascade sulfur conversion
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作者 Weihao Gong Guangfu Dai +6 位作者 Hongjiao Liu Haobo Sun Zeyi Wu Xinpeng Zhao Haoting Miao Ying Jiang Zhengqing Ye 《Journal of Energy Chemistry》 2025年第10期671-680,共10页
Lithium-sulfur(Li-S)batteries are considered a potential candidate for next-generation energy-dense and sustainable energy storage.However,the slow conversion and severe shuttle of polysulfides(LiPSs)result in rapid p... Lithium-sulfur(Li-S)batteries are considered a potential candidate for next-generation energy-dense and sustainable energy storage.However,the slow conversion and severe shuttle of polysulfides(LiPSs)result in rapid performance degradation over long-term cycling.Herein,we report a high-entropy single-atom(HE-SA)catalyst to regulate the multi-step conversion of LiPS to attain a high-performance Li-S battery.Both the density functional theory calculations and the experimental results prove that the Fe atomic site with high spin configurations strongly interacts with Li_(2)S_(4)through d-p and s-p synergistic orbital hybridization which facilitates the reduction of LiPS.Moreover,S-dominant p-d hybridization between Li_(2)S and a high-spin Mn site weakens the Li-S bond and facilitates the rapid sulfur evolution reaction.Consequently,the Li-S battery with a bifunctional HE-SA catalyst shows an ultralow capacity decay of 0.026% per cycle over 1900 cycles at 1 C.This work proposes a high-entropy strategy for sculpting electronic structures to enable spin and orbital hybridization modulation in advanced catalysts toward longcycling Li-S batteries. 展开更多
关键词 Electronic spin state orbital hybridization High-entropy effect Multi-atomic catalysts Sulfur conversion reaction Li-S battery
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Very Low Earth Orbit Satellites Promise Greater Resolution...and Less Privacy
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作者 Chris Palmer 《Engineering》 2025年第3期6-8,共3页
In February 2025,a startup satellite manufacturer,Albedo(Broomfield,CO,USA)is expected to launch its first satellite,Clarity-1,into orbit aboard SpaceX’s Transporter-13,a Falcon 9 rideshare mission[1].Like many imagi... In February 2025,a startup satellite manufacturer,Albedo(Broomfield,CO,USA)is expected to launch its first satellite,Clarity-1,into orbit aboard SpaceX’s Transporter-13,a Falcon 9 rideshare mission[1].Like many imaging satellites,Clarity-1’s mis-sion will be to take high-resolution aerial photos for clients in var-ious economic sectors including agriculture,insurance,energy,mapping,utilities,and defense.What makes this satellite unique is both its industry-leading 10 cm spatial resolution and its extre-mely low orbit of 200 km,far closer to Earth than the 450 km or higher orbits of most of its peers with similar missions. 展开更多
关键词 imaging satellitesclarity s spatial resolution high resolution imaging satellites low earth orbit aerial photos
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Orbit accuracy analysis of TianQin gravitational wave detector using BDS-3 inter-satellite links
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作者 Lisheng TONG Defeng GU +5 位作者 Kai SHAO Zheyu XU Zicong AN Aoming WANG Wenjian HOU Daoping LIU 《Chinese Journal of Aeronautics》 2025年第7期422-434,共13页
The Tian Qin space-borne gravitational wave detector will orbit at an altitude of1.0×10^(5)km with an arm length of 1.7×10^(5)km,structured in an equilateral triangular satellite formation.The Tian Qin proje... The Tian Qin space-borne gravitational wave detector will orbit at an altitude of1.0×10^(5)km with an arm length of 1.7×10^(5)km,structured in an equilateral triangular satellite formation.The Tian Qin project delineates detailed requirements for orbit determination during both the launch phase and subsequent scientific experimentation.This paper pioneers the investigation of Precise Orbit Determination(POD)for Tian Qin utilizing the third generation of Bei Dou global navigation satellite system(BDS-3)Inter-Satellite Link(ISL)through simulation.By analyzing the visibility,the feasibility of using BDS-3 ISLs for Tian Qin POD is explored.Furthermore,a refined Solar Radiation Pressure(SRP)model is developed,and the POD accuracy of Tian Qin is assessed,considering factors such as arc length,ranging intervals,and error sources.The results indicate the following:(A)Visibility between Tian Qin and BDS-3 satellites is intermittent,with an average of 10.6 BDS-3 satellites visible to Tian Qin,and the average Root Mean Square(RMS)-value of Position Dilution of Precision(PDOP)for Tian Qin is 48.13.(B)POD accuracy improves with shorter ranging intervals.(C)The error in ephemeris is the dominant factor affecting the POD accuracy.(D)The establishment of three links between Tian Qin and the BDS-3 satellites satisfies the POD requirements of Tian Qin.With a ranging interval of 600 s and over a 7-day arc,the average three-Dimensional(3D)position accuracy of the three Tian Qin satellites is 1.35 m,while the 3D velocity accuracy is 0.08 mm/s. 展开更多
关键词 TianQin The third generation of BeiDou global navigation satellite system(BDS-3) Gravitational wave detector Inter-satellite link(ISL) Precise orbit determination(POD) VISIBILITY
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Assessment of optic nerve and optic tract alterations in patients with orbital space-occupying lesions using probabilistic diffusion tractography 被引量:3
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作者 Chun-Nan Wu Shao-Feng Duan +4 位作者 Xue-Tao Mu Yi Wang Peng-Yu Lan Xiao-Lu Wang Kun-Cheng Li 《International Journal of Ophthalmology(English edition)》 SCIE CAS 2019年第8期1304-1310,共7页
AIM: To investigate the diffusion changes in both the optic nerve and optic tract in orbital space-occupying lesion patients with decreased visual acuity, and its clinical significance using probabilistic diffusion tr... AIM: To investigate the diffusion changes in both the optic nerve and optic tract in orbital space-occupying lesion patients with decreased visual acuity, and its clinical significance using probabilistic diffusion tractography(PDT). METHODS: Twenty patients with orbital space-occupying lesions and 25 age-and gender-matched healthy persons were included. All patients and controls underwent routine orbital magnetic resonance imaging and diffusion tensor imaging(DTI), using a 3.0 T magnetic resonance scanner(Trio Tim Siemens). After the image data were preprocessed, each DTI parameters of the optic nerve and optic tract was obtained by PDT, including fractional anisotropy(FA), mean diffusivity(MD), axial diffusivity(AD) and radial diffusivity(RD). The asymmetry index(AI) of each parameter was calculated. Compared the parameters of the affected side optic nerve and ipsilateral optic tract with the contralateral side by paired sample t-test;compared AI of parameters of optic nerve and optic tract between the patient group and the control group by independent sample t-test. Patients were divided into threesubgroups according to the low vision grade standard of WHO, compared the FA and AI of FA between the three subgroups by single factor variance analysis. RESULTS: The affected side optic nerve presented significantly decreased FA, increased MD, AD, and RD values compared to the unaffected side(P<0.05). The AI of FA, MD, AD, and RD of optic nerve in the patients was significantly higher than that of the controls(P<0.05). The comparison results of the optic tract showed that there was no significant difference between the patient group and control group in terms of the bilateral optic tracts in patients(P>0.05). The AIs of the FA value of the optic nerve in the eyesight <0.1 subgroup was significantly higher than that in the other groups(P<0.05). CONCLUSION: FA, MD, AD, and RD of the affected side optic nerve of the orbital space-occupying lesions have significantly changed, the FA value is the most sensitive. The PDT could be a useful tool to provide valid quantitative markers of optic nerve injuries and evaluate the severity of orbital diseases, which other examinations cannot be acquired. 展开更多
关键词 orbitAL space-occupying lesions decreased vision OPTIC never and OPTIC tract PROBABILISTIC diffusion TRACTOGRAPHY magnetic resonance imaging
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Perturbed low-thrust geostationary orbit transfer guidance via polynomial costate estimation 被引量:2
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作者 Zhao LI Hengnian LI +1 位作者 Fanghua JIANG Junfeng LI 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2024年第3期181-193,共13页
This paper proposes an optimal,robust,and efficient guidance scheme for the perturbed minimum-time low-thrust transfer toward the geostationary orbit.The Earth’s oblateness perturbation and shadow are taken into acco... This paper proposes an optimal,robust,and efficient guidance scheme for the perturbed minimum-time low-thrust transfer toward the geostationary orbit.The Earth’s oblateness perturbation and shadow are taken into account.It is difficult for a Lyapunov-based or trajectory-tracking guidance method to possess multiple characteristics at the same time,including high guidance optimality,robustness,and onboard computational efficiency.In this work,a concise relationship between the minimum-time transfer problem with orbital averaging and its optimal solution is identified,which reveals that the five averaged initial costates that dominate the optimal thrust direction can be approximately determined by only four initial modified equinoctial orbit elements after a coordinate transformation.Based on this relationship,the optimal averaged trajectories constituting the training dataset are randomly generated around a nominal averaged trajectory.Five polynomial regression models are trained on the training dataset and are regarded as the costate estimators.In the transfer,the spacecraft can obtain the real-time approximate optimal thrust direction by combining the costate estimations provided by the estimators with the current state at any time.Moreover,all these computations onboard are analytical.The simulation results show that the proposed guidance scheme possesses extremely high guidance optimality,robustness,and onboard computational efficiency. 展开更多
关键词 Low thrust orbital transfer Trajectory optimization GUIDANCE Indirect method orbital averaging Machine learning Geostationary satellites
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人工智能助力:Orbital Materials公司加速清洁技术材料的开发
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作者 燕春晖(摘译) 《石油炼制与化工》 北大核心 2025年第2期130-130,共1页
随着全球对环境保护意识的增强,探寻能够有效减少碳排放并促进可持续发展的新材料成为了科研领域的热点。一家成立于2022年的初创公司Orbital Materials,正利用人工智能(AI)技术在这一领域取得突破。
关键词 orbitAL
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