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ORBIT评分与HAS-BLED评分对心脏瓣膜置换术后华法林抗凝出血风险的预测价值比较
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作者 赵慧明 刘勇 +3 位作者 粟丽 夏浩然 陈婷 王亚莉 《实用临床医药杂志》 CAS 2024年第6期83-87,共5页
目的比较ORBIT评分与HAS-BLED评分对心脏瓣膜置换术后华法林抗凝出血风险的预测价值。方法回顾性分析304例心脏瓣膜置换术后需行华法林抗凝治疗患者的病例资料,分别根据ORBIT评分和HAS-BLED评分对患者进行风险分层和分组,分析基于不同... 目的比较ORBIT评分与HAS-BLED评分对心脏瓣膜置换术后华法林抗凝出血风险的预测价值。方法回顾性分析304例心脏瓣膜置换术后需行华法林抗凝治疗患者的病例资料,分别根据ORBIT评分和HAS-BLED评分对患者进行风险分层和分组,分析基于不同评分的风险分层与术后华法林抗凝出血事件的相关性,比较2种评分方法风险分层的一致性及其对出血事件的预测价值。结果304例患者中,出血患者32例、未出血患者272例,出血患者的术后ORBIT评分、HAS-BLED评分均高于未出血患者,差异有统计学意义(P<0.05)。基于ORBIT评分划分的中危、高危患者的出血风险分别为低危患者的6.092(95%CI:2.694~13.775)倍、9.373(95%CI:1.465~59.943)倍,基于HAS-BLED评分划分的中危、高危患者的出血风险分别为低危患者的3.750(95%CI:1.383~10.166)倍、14.250(95%CI:5.489~36.995)倍。受试者工作特征曲线分析结果显示,ORBIT评分预测华法林抗凝出血风险的曲线下面积(AUC)为0.646(95%CI:0.589~0.699),敏感度为46.88%,特异度为87.87%,最佳截断值为3分;HAS-BLED评分预测华法林抗凝出血风险的AUC为0.768(95%CI:0.717~0.814),敏感度为75.00%,特异度为69.85%,最佳截断值为2分;Delong检验结果显示,2种评分的AUC差异有统计学意义(D=0.122,95%CI:0.001~0.245,Z=1.962,P<0.05)。结论ORBIT评分和HAS-BLED评分对心脏瓣膜置换术后华法林抗凝出血风险均具有一定预测价值,其中HAS-BLED评分的预测效能更优。 展开更多
关键词 心脏瓣膜置换术 华法林 抗凝 orbit评分 HAS-BLED评分 出血事件
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Theory for Charge Density Wave and Orbital-Flux State in Antiferromagnetic Kagome Metal FeGe 被引量:1
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作者 马海洋 殷嘉鑫 +1 位作者 M.Zahid Hasan 刘健鹏 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第4期90-104,共15页
We theoretically study the charge order and orbital magnetic properties of a new type of antiferromagnetic kagome metal FeGe.Based on first-principles density functional theory calculations,we study the electronic str... We theoretically study the charge order and orbital magnetic properties of a new type of antiferromagnetic kagome metal FeGe.Based on first-principles density functional theory calculations,we study the electronic structures,Fermi-surface quantum fluctuations,as well as phonon properties of the antiferromagnetic kagome metal FeGe.It is found that charge density wave emerges in such a system due to a subtle cooperation between electron-electron interactions and electron–phonon couplings,which gives rise to an unusual scenario of interaction-triggered phonon instabilities,and eventually yields a charge density wave(CDW)state.We further show that,in the CDW phase,the ground-state current density distribution exhibits an intriguing star-of-David pattern,leading to flux density modulation.The orbital fluxes(or current loops)in this system emerge as a result of the subtle interplay between magnetism,lattice geometries,charge order,and spin-orbit coupling(SOC),which can be described by a simple,yet universal,tight-binding theory including a Kane-Mele-type SOC term and a magnetic exchange interaction.We further study the origin of the peculiar step-edge states in FeGe,which sheds light on the topological properties and correlation effects in this new type of kagome antiferromagnetic material. 展开更多
关键词 interaction PHONON orbitAL
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p-d Orbital Hybridization Engineered Single-Atom Catalyst for Electrocatalytic Ammonia Synthesis 被引量:1
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作者 Jingkun Yu Xue Yong Siyu Lu 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第2期119-125,共7页
The rational design of metal single-atom catalysts(SACs)for electrochemical nitrogen reduction reaction(NRR)is challenging.Two-dimensional metal-organic frameworks(2DMOFs)is a unique class of promising SACs.Up to now,... The rational design of metal single-atom catalysts(SACs)for electrochemical nitrogen reduction reaction(NRR)is challenging.Two-dimensional metal-organic frameworks(2DMOFs)is a unique class of promising SACs.Up to now,the roles of individual metals,coordination atoms,and their synergy effect on the electroanalytic performance remain unclear.Therefore,in this work,a series of 2DMOFs with different metals and coordinating atoms are systematically investigated as electrocatalysts for ammonia synthesis using density functional theory calculations.For a specific metal,a proper metal-intermediate atoms p-d orbital hybridization interaction strength is found to be a key indicator for their NRR catalytic activities.The hybridization interaction strength can be quantitatively described with the p-/d-band center energy difference(Δd-p),which is found to be a sufficient descriptor for both the p-d hybridization strength and the NRR performance.The maximum free energy change(ΔG_(max))andΔd-p have a volcanic relationship with OsC_(4)(Se)_(4)located at the apex of the volcanic curve,showing the best NRR performance.The asymmetrical coordination environment could regulate the band structure subtly in terms of band overlap and positions.This work may shed new light on the application of orbital engineering in electrocatalytic NRR activity and especially promotes the rational design for SACs. 展开更多
关键词 first-principle calculations Nitrogen reduction p-d orbital hybridization single-atom catalysts
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Comparison between local-made and imported porous polyethylene orbital implant:a randomized controlled equivalence trial and multicenter study
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作者 Sunisa Sintuwong Kanjana Leelapatranurak +10 位作者 Orapan Aryasit Passorn Preechawai Mingkwan Lumyongsatien Ornvenus Nimitwongsakul Jugchawin Kanokkantapong Unnkade Bhaktikamala Yongyot Tuachob Jirapol Bhuntuveh Pennung Thongtong Waraporn Suvannapruk Jintamai Suwanprateeb 《International Journal of Ophthalmology(English edition)》 SCIE CAS 2024年第10期1857-1863,共7页
AIM:To compare the exposure rate,infection rate,percentage of enhancement,and success rate between Medpor and the three-dimensional printed polyethylene(3DP-PE)orbital implant in a preliminary report.METHODS:This pros... AIM:To compare the exposure rate,infection rate,percentage of enhancement,and success rate between Medpor and the three-dimensional printed polyethylene(3DP-PE)orbital implant in a preliminary report.METHODS:This prospective,randomized,equivalence,controlled trial was conducted at two institutes.The equivalent margin was±10%.The sample size for the equivalence trial was 174 participants per group.Patients who were eligible for enucleations received either Medpor or 3DP-PE implants based on a randomized block of six.The surgeries were performed by five oculoplastic surgeons.The assessor and patients were masked.The magnetic resonance imaging(MRI)of the orbit was performed at least 6mo after operation and the fibrovascular ingrowth was analyzed using the Image J software.Follow-up continued at least 1y after surgery.The intention to treat and per protocol approaches were used.RESULTS:Totally 128 patients met the criteria in the report.Fifty Medpor and 553DP-PE cases completed the trial.The most common cause of blindness was trauma.The mean follow-up times of Medpor and 3DP-PE were 33 and 40mo respectively.The exposure rate was not statistically significant between two groups(6.0%and 7.3%),P<0.05,95%CI(-9.8%,+12.0%).The success rates were 94%(Medpor)and 92.7%(3DP-PE).No postoperative infection was reported.Nine patients had MRI tests and two had implant exposures with 66.3%enhancement at 75mo(Medpor)and 58%enhancement at 57mo(3DP-PE)postoperatively.CONCLUSION:There is no statistically significant difference in exposure rate and success rate between Medpor and 3DP-PE in enucleation in the report.However,we cannot conclude that they are equivalent in terms of the exposure rate and success rate because the 95%CI is wider than±10%.The infection rate is equivalent in both groups. 展开更多
关键词 orbital implants eyeball enucleation polyethylene BLINDNESS eye injuries orbit
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Late infection after peri-orbital autologous micro-fat graft:a case presentation and literature review
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作者 Farzad Pakdel Hassan Asadigandomani +5 位作者 Melika Arab Bafrani Zohreh Nozarian Zohre Abedinifar Niloofar Pirmarzdashti Behzad Jafari Zaynab Siami 《International Journal of Ophthalmology(English edition)》 SCIE CAS 2024年第3期603-606,共4页
Citation:Pakdel F,Asadigandomani H,Arab Bafrani M,Nozarian Z,Abedinifar Z,Pirmarzdashti N,Jafari B,Siami Z.Late infection after peri-orbital autologous micro-fat graft:a case presentation and literature review.Int J O... Citation:Pakdel F,Asadigandomani H,Arab Bafrani M,Nozarian Z,Abedinifar Z,Pirmarzdashti N,Jafari B,Siami Z.Late infection after peri-orbital autologous micro-fat graft:a case presentation and literature review.Int J Ophthalmol 2024;17(3):603-606. 展开更多
关键词 GRAFT orbitAL AFTER
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High-Resolution Recognition of Orbital Angular Momentum Modes in Asymmetric Bessel Beams Assisted by Deep Learning
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作者 徐鹏飞 童鑫 +2 位作者 曾子帅 刘书悉 赵道木 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第7期27-35,共9页
Fractional orbital angular momentum(OAM) vortex beams present a promising way to increase the data throughput in optical communication systems. Nevertheless, high-precision recognition of fractional OAM with different... Fractional orbital angular momentum(OAM) vortex beams present a promising way to increase the data throughput in optical communication systems. Nevertheless, high-precision recognition of fractional OAM with different propagation distances remains a significant challenge. We develop a convolutional neural network(CNN)method to realize high-resolution recognition of OAM modalities, leveraging asymmetric Bessel beams imbued with fractional OAM. Experimental results prove that our method achieves a recognition accuracy exceeding 94.3% for OAM modes, with an interval of 0.05, and maintains a high recognition accuracy above 92% across varying propagation distances. The findings of our research will be poised to significantly contribute to the deployment of fractional OAM beams within the domain of optical communications. 展开更多
关键词 BESSEL FRACTIONAL orbitAL
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Bone destruction of orbital wall in idiopathic orbital inflammatory pseudotumor:does it always imply malignancy?
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作者 Qi-Han Guo Xuan Zhang +5 位作者 An-Qi Huang Ben-Tao Yang Rui Liu Nan Wang Liang-Yuan Xu Jian-Min Ma 《International Journal of Ophthalmology(English edition)》 SCIE CAS 2024年第9期1681-1688,共8页
AIM:To assess the clinical presentations and outcomes of idiopathic orbital inflammatory pseudotumor(IOIP)patients with orbital wall bone destruction(OWBD)and to propose an expanded classification system that includes... AIM:To assess the clinical presentations and outcomes of idiopathic orbital inflammatory pseudotumor(IOIP)patients with orbital wall bone destruction(OWBD)and to propose an expanded classification system that includes bone destruction.METHODS:The study retrospectively reviewed clinical presentations,imaging findings,treatment modalities,and outcomes of six patients diagnosed histopathologically with IOIP and OWBD at the Beijing Tongren Hospital,Capital Medical University between October 2018 and June 2021.RESULTS:Over two years,6(10%)of 60 IOIP patients at our hospital exhibited OWBD,but this may overrepresent severe cases.The cohort consisted of three men and three women,aged 17 to 60y(mean 35.5±16.1y).Presenting symptoms included proptosis,eyelid swelling,decreased visual acuity with pain,and palpable mass.Imaging revealed multiple anatomical structures involved with the medial wall being the most common site of bone destruction.Histopathological examination showed classic type in five patients and sclerosing type in one patient.All patients underwent surgical resection followed by methylprednisolone treatment.Follow-up(mean 30.3±3.1mo)indicated three patients had no recurrence,while others had varying degrees of symptom persistence or recurrence.CONCLUSION:IOIP with bone destruction is a rare but significant subtype that mimics malignancy,leading to potential diagnostic and therapeutic challenges.Our findings suggest that complete surgical resection combined with adjunctive glucocorticoid therapy can yield favorable outcomes.However,larger-scale studies are needed to further optimize therapeutic approaches. 展开更多
关键词 idiopathic orbital inflammatory pseudotumor bone destruction orbital disease
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Orbital-Ordering Driven Simultaneous Tunability of Magnetism and Electric Polarization in Strained Monolayer VCl_(3)
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作者 郭的坪 王聪 +4 位作者 王侣锦 陆赟豪 吴骅 张妍宁 季威 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第4期126-131,共6页
Two-dimensional(2D)van der Waals magnetic materials have promising and versatile electronic and magnetic properties in the 2D limit,indicating a considerable potential to advance spintronic applications.Theoretical pr... Two-dimensional(2D)van der Waals magnetic materials have promising and versatile electronic and magnetic properties in the 2D limit,indicating a considerable potential to advance spintronic applications.Theoretical predictions thus far have not ascertained whether monolayer VCl_(3) is a ferromagnetic(FM)or anti-FM monolayer;this also remains to be experimentally verified.We theoretically investigate the influence of potential factors,including C_(3) symmetry breaking,orbital ordering,epitaxial strain,and charge doping,on the magnetic ground state.Utilizing first-principles calculations,we predict a collinear type-Ⅲ FM ground state in monolayer VCl_(3) with a broken C_(3) symmetry,wherein only the former two of three t_(2g)orbitals(a_(1g),e_(g2)^(π)and e_(g1)^(π))are occupied.The atomic layer thickness and bond angles of monolayer VCl_(3) undergo abrupt changes driven by an orbital ordering switch,resulting in concomitant structural and magnetic phase transitions.Introducing doping to the underlying Cl atoms of monolayer VCl_(3) without C_(3) symmetry simultaneously induces in-and out-of-plane polarizations.This can achieve a multiferroic phase transition if combined with the discovered adjustments of magnetic ground state and polarization magnitude under strain.The establishment of an orbital-ordering driven regulatory mechanism can facilitate deeper exploration and comprehension of magnetic properties of strongly correlated systems in monolayer VCl_(3). 展开更多
关键词 MONOLAYER symmetry orbitAL
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Prognostic factors and clinical features of rhino-orbitalmucormycosis cases:an update for patient and visual survivals
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作者 Mustafa Aksoy Altan Atakan Ozcan Burak Ulas 《International Journal of Ophthalmology(English edition)》 SCIE CAS 2024年第5期916-923,共8页
AIM:To determine the frequency of patients’vision survival and prognostic factors and evaluate clinical features in rhino-orbital mucormycosis.METHODS:Forty-three eyes of 43 patients followed up with orbital mucormyc... AIM:To determine the frequency of patients’vision survival and prognostic factors and evaluate clinical features in rhino-orbital mucormycosis.METHODS:Forty-three eyes of 43 patients followed up with orbital mucormycosis infections were included in the study.Demographic characteristics of the patients,symptoms at admission,ophthalmologic and non-ophthalmologic examination findings,clinical findings during follow-up,medical and surgical procedures,and complications were recorded.Patient survival was determined by assessing the incidence of mortality,and vision survival was defined as achieving a final visual acuity of at least light perception.RESULTS:Twenty-seven(62.8%)patients were male,and 16(37.2%)were female.When the underlying disease status of the patients was examined,it was observed that all patients had an underlying disease and diabetes constituted the majority(65.2%).Periorbital swelling(69.8%)and ophthalmoplegia(53.5%)were the most common symptoms and findings at the admission of patients with mucormycosis infection.The disease resulted in death in 22(51.2%)patients.The presence of fever and shorter duration of antifungal therapy were associated with lower patient survival.Exenteration surgery was not found to be associated with the survival of the patients.Frozen eye,loss of pupillary light reflex,and development of central retinal artery occlusion were associated with lower vision survival.CONCLUSION:This study presents one of the most extensive patient series in the literature on rhino-orbital mucormycosis.Knowing the patients’symptoms at the time of admission and the clinical findings during the infection process will increase awareness about the disease. 展开更多
关键词 MUCORMYCOSIS rhino-orbital-mucormycosis orbital apex syndrome retinal arterial occlusion
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Effect of navigation endoscopy combined with threedimensional printing technology in the treatment of orbital blowout fractures
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作者 Jin-Hai Yu Yao-Hua Wang +3 位作者 Qi-Hua Xu Chao Xiong An-An Wang Hong-Fei Liao 《International Journal of Ophthalmology(English edition)》 SCIE CAS 2024年第3期570-576,共7页
●AIM:To explore the combined application of surgical navigation nasal endoscopy(NNE)and three-dimensional printing technology(3DPT)for the adjunctive treatment of orbital blowout fractures(OBF).●METHODS:Retrospectiv... ●AIM:To explore the combined application of surgical navigation nasal endoscopy(NNE)and three-dimensional printing technology(3DPT)for the adjunctive treatment of orbital blowout fractures(OBF).●METHODS:Retrospective analysis was conducted on the data of patients with OBF who underwent surgical treatment at the Affiliated Eye Hospital of Nanchang University between July 2012 and November 2022.The control group consisted of patients who received traditional surgical treatment(n=43),while the new surgical group(n=52)consisted of patients who received NNE with 3DPT.The difference in therapeutic effects between the two groups was evaluated by comparing the duration of the operation,best corrected visual acuity(BCVA),enophthalmos difference,recovery rate of eye movement disorder,recovery rate of diplopia,and incidence of postoperative complications.●RESULTS:The study included 95 cases(95 eyes),with 63 men and 32 women.The patients’age ranged from 5 to 67y(35.21±15.75y).The new surgical group and the control group exhibited no statistically significant differences in the duration of the operation,BCVA and enophthalmos difference.The recovery rates of diplopia in the new surgical group were significantly higher than those in the control group at 1mo[OR=0.03,95%CI(0.01–0.15),P<0.0000]and 3mo[OR=0.11,95%CI(0.03–0.36),P<0.0000]postoperation.Additionally,the recovery rates of eye movement disorders at 1 and 3mo after surgery were OR=0.08,95%CI(0.03–0.24),P<0.0000;and OR=0.01,95%CI(0.00–0.18),P<0.0000.The incidence of postoperative complications was lower in the new surgical group compared to the control group[OR=4.86,95%CI(0.95–24.78),P<0.05].●CONCLUSION:The combination of NNE and 3DPT can shorten the recovery time of diplopia and eye movement disorder in patients with OBF. 展开更多
关键词 orbital blowout fracture three-dimensional printing ENDOSCOPY surgical navigation
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Relative orbit determination algorithm of space targets with passive observation
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作者 DAI Chenchao QIANG Hongfu +2 位作者 ZHANG Degang HU Shaolei GONG Baichun 《Journal of Systems Engineering and Electronics》 SCIE CSCD 2024年第3期793-804,共12页
Angles-only relative orbit determination for space non-cooperative targets based on passive sensor is subject to weakly observable problem of the relative state between two spacecraft. Previously, the evidence for ang... Angles-only relative orbit determination for space non-cooperative targets based on passive sensor is subject to weakly observable problem of the relative state between two spacecraft. Previously, the evidence for angles-only observability was found by using cylindrical dynamics, however, the solution of orbit determination is still not provided. This study develops a relative orbit determination algorithm with the cylindrical dynamics based on differential evolution. Firstly, the relative motion dynamics and line-of-sight measurement model for nearcircular orbit are established in cylindrical coordinate system.Secondly, the observability is qualitatively analyzed by using the dynamics and measurement model where the unobservable geometry is found. Then, the angles-only relative orbit determination problem is modeled into an optimal searching frame and an improved differential evolution algorithm is introduced to solve the problem. Finally, the proposed algorithm is verified and tested by a set of numerical simulations in the context of highEarth and low-Earth cases. The results show that initial relative orbit determination(IROD) solution with an appropriate accuracy in a relative short span is achieved, which can be used to initialize the navigation filter. 展开更多
关键词 angles-only measurement relative orbit determination cylindrical coordinate differential evolution
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Generation of orbital angular momentum hologram using a modified U-net
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作者 郑志刚 韩菲菲 +1 位作者 王乐 赵生妹 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第3期401-407,共7页
Orbital angular momentum(OAM)holography has become a promising technique in information encryption,data storage and opto-electronic computing,owing to the infinite topological charge of one single OAM mode and the ort... Orbital angular momentum(OAM)holography has become a promising technique in information encryption,data storage and opto-electronic computing,owing to the infinite topological charge of one single OAM mode and the orthogonality of different OAM modes.In this paper,we propose a novel OAM hologram generation method based on a densely connected U-net(DCU),where the densely connected convolution blocks(DCB)replace the convolution blocks of the U-net.Importantly,the reconstruction process of the OAM hologram is integrated into DCU as its output layer,so as to eliminate the requirement to prepare training data for the OAM hologram,which is required by conventional neural networks through an iterative algorithm.The experimental and simulation results show that the OAM hologram can rapidly be generated with the well-trained DCU,and the reconstructed image's quality from the generated OAM hologram is significantly improved in comparison with those from the Gerchberg-Saxton generation method,the Gerchberg-Saxton based generation method and the U-net method.In addition,a 10-bit OAM multiplexing hologram scheme is numerically demonstrated to have a high capacity with OAM hologram. 展开更多
关键词 orbital angular momentum(OAM) HOLOGRAPHY OAM holography deep learning
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Bessel–Gaussian beam-based orbital angular momentum holography
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作者 季佳滢 郑志刚 +3 位作者 朱家龙 王乐 王新光 赵生妹 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期407-413,共7页
Orbital angular momentum(OAM), as a new degree of freedom, has recently been applied in holography technology.Due to the infinite helical mode index of OAM mode, a large number of holographic images can be reconstruct... Orbital angular momentum(OAM), as a new degree of freedom, has recently been applied in holography technology.Due to the infinite helical mode index of OAM mode, a large number of holographic images can be reconstructed from an OAM-multiplexing hologram. However, the traditional design of an OAM hologram is constrained by the helical mode index of the selected OAM mode, for a larger helical mode index OAM mode has a bigger sampling distance, and the crosstalk is produced for different sampling distances for different OAM modes. In this paper, we present the design of the OAM hologram based on a Bessel–Gaussian beam, which is non-diffractive and has a self-healing property during its propagation. The Fourier transform of the Bessel–Gaussian beam is the perfect vortex mode that has the fixed ring radius for different OAM modes. The results of simulation and experiment have demonstrated the feasibility of the generation of the OAM hologram with the Bessel–Gaussian beam. The quality of the reconstructed holographic image is increased, and the security is enhanced. Additionally, the anti-interference property is improved owing to its self-healing property of the Bessel-OAM holography. 展开更多
关键词 orbital angular momentum HOLOGRAPHY Bessel–Gaussian beam OAM-multiplexing hologram
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A Population Dynamics Approach to the Distribution of Space Debris in Low Earth Orbit
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作者 John Jurkiewicz Peter Hinow 《Communications on Applied Mathematics and Computation》 EI 2024年第1期340-353,共14页
The presence of the debris in the Earth’s orbit poses a significant risk to human activity in outer space.This debris population continues to grow due to ground launches,the loss of external parts from space ships,an... The presence of the debris in the Earth’s orbit poses a significant risk to human activity in outer space.This debris population continues to grow due to ground launches,the loss of external parts from space ships,and uncontrollable collisions between objects.A computationally feasible continuum model for the growth of the debris population and its spatial distribution is therefore critical.Here we propose a diffusion-collision model for the evolution of the debris density in the low-Earth orbit and its dependence on the ground-launch policy.We parametrize this model and test it against data from publicly available object catalogs to examine timescales for the uncontrolled growth.Finally,we consider sensible launch policies and cleanup strategies and how they reduce the future risk of collisions with active satellites or space ships. 展开更多
关键词 Population dynamics Space debris Kessler syndrome DIFFUSION Low-Earth orbit
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Manipulating d-d orbital hybridization induced by Mo-doped Co_(9)S_(8) nanorod arrays for high-efficiency water electrolysis
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作者 Xue Zhou Jing Li +8 位作者 Guangyao Zhou Weiran Huang Yucan Zhang Jun Yang Huan Pang Mingyi Zhang Dongmei Sun Yawen Tang Lin Xu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第6期592-600,I0015,共10页
Precisely refining the electronic structure of electrocatalysts represents a powerful approach to further optimize the electrocatalytic performance.Herein,we demonstrate an ingenious d-d orbital hybridization concept ... Precisely refining the electronic structure of electrocatalysts represents a powerful approach to further optimize the electrocatalytic performance.Herein,we demonstrate an ingenious d-d orbital hybridization concept to construct Mo-doped Co_(9)S_(8) nanorod arrays aligned on carbon cloth(CC)substrate(abbreviated as Mo-Co_(9)S_(8)@CC hereafter)as a high-efficiency bifunctional electrocatalyst toward water electrolysis.It has experimentally and theoretically validated that the 4d-3d orbital coupling between Mo dopant and Co site can effectively optimize the H_(2)O activation energy and lower H^(*)adsorption energy barrier,thereby leading to enhanced hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)activities.Thanks to the unique electronic and geometrical advantages,the optimized Mo-Co_(9)S_(8)@CC with appropriate Mo content exhibits outstanding bifunctional performance in alkaline solution,with the overpotentials of 75 and 234 mV for the delivery of a current density of 10 mA cm^(-2),small Tafel slopes of 53.8 and 39.9 mV dec~(-1)and long-term stabilities for at least 32 and 30 h for HER and OER,respectively.More impressively,a water splitting electrolylzer assembled by the self-supported Mo-Co_(9)S_(8)@CC electrode requires a low cell voltage of 1.53 V at 10 mA cm^(-2)and shows excellent stability and splendid reversibility,demonstrating a huge potential for affordable and scalable electrochemical H_(2) production.The innovational orbital hybridization strategy for electronic regulation herein provides an inspirable avenue for developing progressive electrocatalysts toward new energy systems. 展开更多
关键词 d-d orbital hybridization Transition metal sulfides Nanorods arrays Water electrolysis
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Effect of lattice distortion on spin admixture and quantum transport in organic devices with spin–orbit coupling
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作者 王莹 李丹 +6 位作者 孙新英 张惠晴 马晗 李慧欣 任俊峰 王传奎 胡贵超 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期519-527,共9页
With an extended Su–Schrieffer–Heeger model and Green's function method, the spin–orbit coupling(SOC) effects on spin admixture of electronic states and quantum transport in organic devices are investigated. Th... With an extended Su–Schrieffer–Heeger model and Green's function method, the spin–orbit coupling(SOC) effects on spin admixture of electronic states and quantum transport in organic devices are investigated. The role of lattice distortion induced by the strong electron–lattice interaction in organics is clarified in contrast with a uniform chain. The results demonstrate an enhanced SOC effect on the spin admixture of frontier eigenstates by the lattice distortion at a larger SOC,which is explained by the perturbation theory. The quantum transport under the SOC is calculated for both nonmagnetic and ferromagnetic electrodes. A more notable SOC effect on total transmission and current is observed for ferromagnetic electrodes, where spin filtering induced by spin-flipped transmission and suppression of magnetoresistance are obtained.Unlike the spin admixture, a stronger SOC effect on transmission exists for the uniform chain rather than the organic lattices with distortion. The reason is attributed to the modified spin-polarized conducting states in the electrodes by lattice configuration, and hence the spin-flip transmission, instead of the spin admixture of eigenstates. This work is helpful to understand the SOC effect in organic spin valves in the presence of lattice distortion. 展开更多
关键词 organic spintronics spin–orbit coupling spin admixture quantum transport
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d-d Orbital coupling induced by crystal-phase engineering assists acetonitrile electroreduction to ethylamine
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作者 Honggang Huang Yao Chen +7 位作者 Hui Fu Cun Chen Hanjun Li Zhe Zhang Feili Lai Shuxing Bai Nan Zhang Tianxi Liu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期216-225,I0006,共11页
The d-d orbital coupling induced by crystal-phase engineering can effectively adjust the electronic structure of electrocatalysts,thus showing significant catalytic performance,while it has been rarely explored in ele... The d-d orbital coupling induced by crystal-phase engineering can effectively adjust the electronic structure of electrocatalysts,thus showing significant catalytic performance,while it has been rarely explored in electrochemical acetonitrile reduction reaction(ARR)to date.Herein,we successfully realize the structural transformation of Pd Cu metallic aerogels(MAs)from face-centered cubic(FCC)to body-centered cubic(BCC)through annealing treatment.Specifically,the BCC Pd Cu MAs exhibit excellent ARR performance with high ethylamine selectivity of 90.91%,Faradaic efficiency of 88.60%,yield rate of 316.0 mmol h^(-1)g^(-1)_(Pd+Cu)and long-term stability for consecutive electrolysis within 20 h at-0.55 V vs.reversible hydrogen electrode,outperforming than those of FCC Pd Cu MAs.Under the membrane electrode assembly system,BCC Pd Cu MAs also demonstrate excellent ethylamine yield rate of 389.5 mmol h^(-1)g^(-1)_(Pd+Cu).Density functional theory calculation reveals that the d-d orbital coupling in BCC Pd Cu MAs results in an evident correlation effect for the interaction of Pd and Cu sites,which boosts up the Cu sites electronic activities to enhance ARR performance.Our work opens a new route to develop efficient ARR electrocatalysts from the perspective of crystalline structure transformation. 展开更多
关键词 d-d orbital coupling Crystal-phase engineering Metallic aerogels Acetonitrile electroreduction reaction ETHYLAMINE
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A Parallel Discrete Event Simulation Engine for the Low-Earth-Orbit Satellite Constellation Networks
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作者 Su Hailong Liu Yaoqi +3 位作者 Zhou Yiqing Shi Jinglin Li Hongguang Qian Manli 《China Communications》 SCIE CSCD 2024年第8期264-275,共12页
Low-Earth-Orbit satellite constellation networks(LEO-SCN)can provide low-cost,largescale,flexible coverage wireless communication services.High dynamics and large topological sizes characterize LEO-SCN.Protocol develo... Low-Earth-Orbit satellite constellation networks(LEO-SCN)can provide low-cost,largescale,flexible coverage wireless communication services.High dynamics and large topological sizes characterize LEO-SCN.Protocol development and application testing of LEO-SCN are challenging to carry out in a natural environment.Simulation platforms are a more effective means of technology demonstration.Currently available simulators have a single function and limited simulation scale.There needs to be a simulator for full-featured simulation.In this paper,we apply the parallel discrete-event simulation technique to the simulation of LEO-SCN to support large-scale complex system simulation at the packet level.To solve the problem that single-process programs cannot cope with complex simulations containing numerous entities,we propose a parallel mechanism and algorithms LP-NM and LP-YAWNS for synchronization.In the experiment,we use ns-3 to verify the acceleration ratio and efficiency of the above algorithms.The results show that our proposed mechanism can provide parallel simulation engine support for the LEO-SCN. 展开更多
关键词 CONSTELLATION low earth orbit satellite ns-3 null-message parallel discrete-event simulation
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Ab initio nonadiabatic molecular dynamics study on spin–orbit coupling induced spin dynamics in ferromagnetic metals
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作者 朱万松 郑镇法 +1 位作者 郑奇靖 赵瑾 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期156-163,共8页
Understanding the photoexcitation induced spin dynamics in ferromagnetic metals is important for the design of photo-controlled ultrafast spintronic device.In this work,by the ab initio nonadiabatic molecular dynamics... Understanding the photoexcitation induced spin dynamics in ferromagnetic metals is important for the design of photo-controlled ultrafast spintronic device.In this work,by the ab initio nonadiabatic molecular dynamics simulation,we have studied the spin dynamics induced by spin–orbit coupling(SOC)in Co and Fe using both spin-diabatic and spin-adiabatic representations.In Co system,it is found that the Fermi surface(E_(F))is predominantly contributed by the spin-minority states.The SOC induced spin flip will occur for the photo-excited spin-majority electrons as they relax to the E_(F),and the spin-minority electrons tend to relax to the EFwith the same spin through the electron–phonon coupling(EPC).The reduction of spin-majority electrons and the increase of spin-minority electrons lead to demagnetization of Co within100 fs.By contrast,in Fe system,the E_(F) is dominated by the spin-majority states.In this case,the SOC induced spin flip occurs for the photo-excited spin-minority electrons,which leads to a magnetization enhancement.If we move the E_(F) of Fe to higher energy by 0.6eV,the E_(F) will be contributed by the spin-minority states and the demagnetization will be observed again.This work provides a new perspective for understanding the SOC induced spin dynamics mechanism in magnetic metal systems. 展开更多
关键词 nonadiabatic molecular dynamics spin dynamics spin–orbit coupling ferromagnetic metal
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Segment routing for traffic engineering and effective recovery in low-earth orbit satellite constellations
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作者 Shengyu Zhang Xiaoqian Li Kwan Lawrence Yeung 《Digital Communications and Networks》 SCIE CSCD 2024年第3期706-715,共10页
Low-Earth Orbit Satellite Constellations(LEO-SCs)provide global,high-speed,and low latency Internet access services,which bridges the digital divide in the remote areas.As inter-satellite links are not supported in in... Low-Earth Orbit Satellite Constellations(LEO-SCs)provide global,high-speed,and low latency Internet access services,which bridges the digital divide in the remote areas.As inter-satellite links are not supported in initial deployment(i.e.the Starlink),the communication between satellites is based on ground stations with radio frequency signals.Due to the rapid movement of satellites,this hybrid topology of LEO-SCs and ground stations is time-varying,which imposes a major challenge to uninterrupted service provisioning and network management.In this paper,we focus on solving two notable problems in such a ground station-assisted LEO-SC topology,i.e.,traffic engineering and fast reroute,to guarantee that the packets are forwarded in a balanced and uninterrupted manner.Specifically,we employ segment routing to support the arbitrary path routing in LEO-SCs.To solve the traffic engineering problem,we proposed two source routings with traffic splitting algorithms,Delay-Bounded Traffic Splitting(DBTS)and DBTS+,where DBTS equally splits a flow and DBTS+favors shorter paths.Simu-lation results show that DBTS+can achieve about 30%lower maximum satellite load at the cost of about 10%more delay.To guarantee the fast recovery of failures,two fast reroute mechanisms,Loop-Free Alternate(LFA)and LFA+,are studied,where LFA pre-computes an alternate next-hop as a backup while LFA+finds a 2-segment backup path.We show that LFA+can increase the percentage of protection coverage by about 15%. 展开更多
关键词 Fast reroute Low-earth orbit satellite constellation Segment routing Traffic engineering Traffic splitting
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