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9th IEEE Information Technology International Seminar, ITIS 2023

作者： Putri, Adiyana Joelianto, Endra Doctoral Program of Engineering Physics Institut Teknologi Bandung Faculty of Industrial technology Bandung Indonesia Instrumentation and Control Research Group Institut Teknologi Bandung Faculty of Industrial Technology Bandung Indonesia

ISBN: (纸本)9798350306835

Traffic forecasting is essential for the intelligent transportation system and is applied to managing traffic networks. Recently, there has been a growing interest in incorporating spatial and temporal variables into the methodology of traffic forecasting. The primary emphasis of modern research lies in the complex architecture of graph neural networks. In contrast, preprocessing data for the input is also essential. Especially traffic data, such as traffic flows, have high nonlinearity and complex patterns. The traffic graph signal is attributes that are associated with the nodes. In this paper, the step of preprocessing data utilized graph signal processing (GSP) to filter noise from traffic signal data before the traffic flow data was applied for prediction tasks. The adjusted parameter for filtering noise was used. In this paper, the parameter was set from 0.1 to 10. The result shows that the increasing parameter filter of the graph data was smoothed filtered. Moreover, the smooth data is affected by the time horizons. For the increasing time horizon, we can use the large parameter and get the prediction error smaller than the shorter time horizon. © 2023 IEEE.

关键词： Forecasting

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Low-density diamondlike amorphous carbon at nanostructured metal-diamond interfaces

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Physical Review Materials 2024年第9期8卷 096001页

作者： Brendan McBennett Yuka Esashi Nicholas W. Jenkins Albert Beardo Yunzhe Shao Emma E. Nelson Theodore H. Culman Begoña Abad Michael Tanksalvala Travis D. Frazer Samuel Marks Weilun Chao Sadegh Yazdi Joshua L. Knobloch Henry C. Kapteyn Margaret M. Murnane Department of Physics Materials Science and Engineering Center for X-Ray Optics Renewable and Sustainable Energy Institute and the Materials Science & Engineering Program 4775 Walnut Street #102 Boulder Colorado 80309 USA

Next-generation nanoelectronic, energy, and quantum technologies require increasingly stringent thermal, optical, mechanical, and electrical properties of component materials, often surpassing the limits of widely used materials such as silicon. Diamond, an ultrawide bandgap semiconductor, is a promising material for these applications because of its very high stiffness, thermal conductivity, and electron mobility. However, incorporating diamond into devices that require high-quality metal-diamond interfaces is challenging. In this work, we use a suite of electron microscopy measurements to reveal an ultrathin amorphous carbon layer that emerges at metal-diamond interfaces after electron beam lithography. Using extreme ultraviolet scatterometry, we nondestructively determine lower bounds on the layer's Young's modulus and thermal conductivity, which at >230GPa and >1.1 W/(mK) are indicative of a diamondlike form of amorphous carbon with high sp3 bonding. However, extreme ultraviolet coherent diffractive imaging reflectometry and energy-dispersive x-ray spectroscopy measurements indicate a low and likely inhomogeneous density in the range of 1–2g/cm3. The low density of such a stiff and conductive layer could indicate that it contains nanometer-scale voids or atomic-scale vacancies. The appearance of this unusual layer illustrates the nanofabrication challenges for diamond and highlights the need for better techniques to characterize surfaces and interfaces in nanoscale devices.

关键词： Amorphous materials Diamond Interfaces Thin films Electron energy loss spectroscopy Energy-dispersive x-ray spectroscopy High-harmonic generation Ultrafast femtosecond pump probe X-ray reflectivity

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Excitations in layered materials from a non-empirical Wannier-localized optimally-tuned screened rangeseparated hybrid functional

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npj Computational Materials 2024年第1期10卷 132-140页

作者： María Camarasa-Gómez Stephen E.Gant Guy Ohad Jeffrey B.Neaton Ashwin Ramasubramaniam Leeor Kronik Department of Molecular Chemistry and Materials Science Weizmann Institute of ScienceRehovoth7610001Israel Department of Physics University of CaliforniaBerkeleyCA94720USA Materials Sciences Division Lawrence Berkeley National LaboratoryBerkeleyCA94720USA Kavli Energy NanoSciences Institute at Berkeley University of CaliforniaBerkeleyCA94720USA Department of Mechanical and Industrial Engineering University of Massachusetts AmherstAmherstMA01003USA Materials Science and Engineering Graduate Program University of MassachusettsAmherstAmherstMA01003USA

Accurate prediction of electronic and optical excitations in van der Waals(vdW)materials is a long-standing challenge for density functional *** recent Wannier-localized optimally-tuned screened range-separated hybrid(WOT-SRSH)functional has proven successful in non-empirical determination of electronic band gaps and optical absorption spectra for covalent and ionic ***,for vdW materials the tuning of the material-and structure-dependent functional parameters has only been attained ***,we present a non-empirical WOT-SRSH approach applicable to vdW materials,with the optimal functional parameters transferable between monolayer and *** apply this methodology to prototypical vdW materials:black phosphorus,molybdenum disulfide,and hexagonal boron nitride(in the latter case including zero-point renormalization).We show that the WOT-SRSH approach consistently achieves accuracy levels comparable to experiments and many-body perturbation theory(MBPT)calculations for band structures and optical absorption spectra,both on its own and as an optimal starting point for MBPT calculations.

关键词： theory optimal functional

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Investigating CO_(2) electro-reduction mechanisms:DFT insight into earth-abundant Mn diimine catalysts for CO_(2) conversions over hydrogen evolution reaction,feasibility,and selectivity considerations

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Frontiers of Chemical Science and engineering 2024年第12期18卷 117-129页

作者： Murugesan Panneerselvam Marcelo Albuquerque Iuri Soter Viana Segtovich Frederico W.Tavares Luciano T.Costa MolMod-CS-Institute of Chemistry Fluminense Federal UniversityValonginho CampusCentroNiteroi 24020-14Rio de JaneiroBrazil Chemical Engineering Program(PEQ/COPPE) Federal University of Rio de Janeiro(UFRJ)Moniz AragaoRio de Janeiro21941-594RJBrazil Institute of Physics Fluminense Federal UniversityPraia Vermelha CampusGragoataNiteroiRio de JaneiroBrazil Chemical and Biochemical Process Engineering School of ChemistryFederal University of Rio de JaneiroRio de Janeiro 21941Brazil

This study investigates the detailed mechanism of CO_(2) conversion to CO using the manganese(I) diimine electrocatalyst [Mn(pyrox)(CO)3Br], synthesized by Christoph Steinlechner and coworkers. Employing density functional theory calculations, we thoroughly explore the electrocatalytic pathway of CO_(2) reduction alongside the competing hydrogen evolution reaction. Our analysis reveals the significant role of diimine nitrogen coordination in enhancing the electron density of the Mn center, thereby favoring both CO_(2) reduction and hydrogen evolution reaction thermodynamically. Furthermore, we observe that triethanolamine (TEOA) stabilizes transition states, aiding in CO_(2) fixation and reduction. The critical steps influencing the reaction rate involve breaking the MnC(O)–OH bond during CO_(2) reduction and cleaving the MnH–H–TEOA bond in the hydrogen evolution reaction. We explain the preference for CO_(2) conversion to CO over H_(2) evolution due to the higher energy barrier in forming the Mn-H_(2) species during H_(2) production. Our findings suggest the potential for tuning the electron density of the Mn center to enhance reactivity and selectivity in CO_(2) reduction. Additionally, we analyze potential competing reactions, focusing on electrocatalytic processes for CO_(2) reduction and evaluating “protonation-first” and “reduction-first” pathways through density functional theory calculations of redox potentials and Gibbs free energies. This analysis indicates the predominance of the “reduction-first” pathway in CO production, especially under high applied potential conditions. Moreover, our research highlights the selectivity of [Mn(pyrox)(CO)3Br] toward CO production over HCOO– and H_(2) formation, proposing avenues for future research to expand upon these findings by using larger basis sets and exploring additional functionalized ligands.

关键词： manganese carbonyl complex CO_(2)reduction reaction hydrogen evolution reaction selectivity density functional theory studies

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Characterization of Fluoride-added Hydroxyapatite Derived from Eggshells for Dental Application 15

Characterization of Fluoride-added Hydroxyapatite Derived fr...

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15th Biomedical engineering International Conference, BMEiCON 2023

作者： Uthayaphamornwat, Vilasinee Khantachawana, Anak Kitiwan, Mettaya Srirussamee, Kasama Tunthawiroon, Phacharaphon School of Engineering Department of Biomedical Engineering Bangkok10520 Thailand Faculty of Engineering Department of Mechanical Engineering Bangkok10140 Thailand Biological Engineering Program Faculty of Engineering Bangkok10140 Thailand School of Science Department of Physics Bangkok10520 Thailand Devices and Systems for Energy and Environment Research Unit School of Science Bangkok10520 Thailand School of Engineering Department of Industrial Engineering Bangkok10520 Thailand

ISBN: (纸本)9798350345247

Hydroxyapatite (HA) is one of the potential biomaterials used for treating dental defects. It can be incorporated with fluoride to enhance its anti-caries properties, though other properties could be dependent on processing technique. Hence, this study aims to characterize the influence of sintering on the properties of fluoride-added HA derived from eggshells. FTIR and XRD techniques are used to characterize the chemical and crystal structures of the samples, whilst dissolution test is carried out to characterize material degradation in the acidic environment. The results show that sintering increased the crystallinity in both HA and fluoride-add HA (F-HA) samples, which corresponds with the enhanced stability during the dissolution test. Moreover, it is also found that the addition of fluoride could further stabilize the material structure, though the impurities found in all the samples still need to be minimized. These findings suggest that sintering and fluoride addition could potentially enhance anti-caries properties of eggshell-derived HA, which could be beneficial for dental application in future subject to further process optimization and analysis. © 2023 IEEE.

关键词： Hydroxyapatite

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Degradation of Organic LEDs Characterized with Algebraic Decay Relaxation Function 15

Degradation of Organic LEDs Characterized with Algebraic Dec...

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Advances in Display Technologies XV 2025

作者： Aygen, Can Richards, Michael Yazdaanpanah, Ramin Kulkarni, Sachin Tanriover, Ibrahim Onsager, Claire Lin, BoYen Lee, Jiun-Haw Aydin, Koray Grayson, Matthew A. Department of Electrical & Computer Engineering Northwestern University EvanstonIL United States Department of Opto-Electronic Engineering National Dong Hwa University Hualien Taiwan Graduate Institute of Photonics and Optoelectronics Department of Electrical Engineering National Taiwan University Taipei Taiwan Program in Applied Physics Northwestern University EvanstonIL United States

ISBN: (纸本)9781510685246

Lifetime studies of organic light emitting diodes are necessary to both understand and mitigate causes of degradation. Here, electroluminescence (EL) studies of green organic light-emitting diode (OLED) pixels are measured continuously using three different dc currents over a period of one week, and their slow EL degradation is accurately fit to an analytical expression with only two fit parameters. The slower-than-exponential EL decay is fit to an empirical unified heavy-tail function that can interpolate between power-law algebraic decays (AD) and stretched-exponential decays (SE). Whereas SE and AD are largely indistinguishable down to 50% of the initial luminance, here we report degradation down to 10% of the initial luminance which most closely fits an AD function with remarkable precision over the entire duration of the experiment. All relaxations share the same characteristic exponent β = 0.53 in the power law decay, whereas the characteristic time-scale τ for degradation decreases with a power-law exponent B = 1.9 as the current increases. The high degree of accuracy in the fit allows asymptotic predictions at time scales that are orders of magnitude longer than the duration of the data collection. The voltage across the OLED is simultaneously monitored under constant-current degradation and reveals an early-onset time scale where the voltage reaches a minimum before degradation runoff. © 2025 SPIE.

关键词： Organic light emitting diodes (OLED)

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Accurate prediction of oxygen vacancy concentration with disordered A-site cations in high-entropy perovskite oxides

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npj Computational Materials 2023年第1期9卷 2053-2065页

作者： Jiyun Park Boyuan Xu Jie Pan Dawei Zhang Stephan Lany Xingbo Liu Jian Luo Yue Qi School of Engineering Brown UniversityProvidenceRI 02912USA Department of Physics Brown UniversityProvidenceRI 02912USA Department of Chemical Engineering and Materials Science Michigan State UniversityEast LansingMI 48824USA Program of Materials Science and Engineering University of California San DiegoLa JollaCA 92093USA Materials Science Center National Renewable Energy LaboratoryGoldenCO 80401USA Department of Mechanical and Aerospace Engineering Benjamin M.Statler College of Engineering and Mineral ResourcesWest Virginia UniversityMorgantownWV 26506USA Department of NanoEngineering University of California San DiegoLa JollaCA 92093USA

Entropic stabilized ABO_(3) perovskite oxides promise many applications,including the two-step solar thermochemical hydrogen(STCH)*** binary and quaternary A-site mixed{A}FeO_(3) as a model system,we reveal that as more cation types,especially above four,are mixed on the A-site,the cell lattice becomes more cubic-like but the local Fe–O octahedrons are more *** comparing four different Density Functional Theory-informed statistical models with experiments,we show that the oxygen vacancy formation energies(E^(f)_(V))distribution and the vacancy interactions must be considered to predict the oxygen non-stoichiometry(δ)*** STCH applications,the E^(f)_(V) distribution,including both the average and the spread,can be optimized jointly to improveΔδ(difference ofδbetween the two-step conditions)in some hydrogen production *** model can be used to predict the range of water splitting that can be thermodynamically improved by mixing cations in{A}FeO_(3) perovskites.

关键词： perovskite vacancy oxides

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Observation of dark edge states in parity-time-symmetric quantum dynamics

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National Science Review 2023年第8期10卷 156-165页

作者： Peng Xue Xingze Qiu Kunkun Wang Barry C. Sanders Wei Yi Beijing Computational Science Research Center Key Laboratory of Quantum Information University of Science and Technology of China Chinese Academy of Sciences Synergetic Innovation Center in Quantum Information and Quantum Physics University of Science and Technology of China Chinese Academy of Sciences School of Physics and Optoelectronic Engineering Anhui University Shanghai Branch National Laboratory for Physical Sciences at MicroscaleUniversity of Science and Technology of China Institute for Quantum Science and Technology University of Calgary Program in Quantum Information Science Canadian Institute for Advanced Research

Topological edge states arise in non-Hermitian parity-time(PT)-symmetric systems, and manifest themselves as bright or dark edge states, depending on the imaginary components of their eigenenergies. As the spatial probabilities of dark edge states are suppressed during the non-unitary dynamics, it is a challenge to observe them experimentally. Here we report the experimental detection of dark edge states in photonic quantum walks with spontaneously broken PT symmetry, thus providing a complete description of the topological phenomena therein. We experimentally confirm that the global Berry phase in PT-symmetric quantum-walk dynamics unambiguously defines topological invariants of the system in both the PT-symmetry-unbroken and-broken regimes. Our results establish a unified framework for characterizing topology in PT-symmetric quantum-walk dynamics, and provide a useful method to observe topological phenomena in PT-symmetric non-Hermitian systems in general.

关键词： parity-time symmetry photonic quantum walks dark edge states topological invariants

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Vitrification of hazardous wastes from ship recycling: circular economy solutions for asbestos and synthetic vitreous fibers

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Environmental Science and Pollution Research 2025年第13期32卷 8183-8200页

作者： Pereira, Newton Narciso de Castro Bertagnolli, Denise da Silva, Ladário Faria, Eliel Eleutério Junior, José Mauro Moraes de Araujo de Monteiro Barros, Munique Eva Paiva Miranda, Tainara Alves de Oliveira Lima, Eduardo da Silva Almeida, Vitor Duarte Department of Production Engineering School of Industrial Engineering and Metallurgy at Volta Redonda - EEIMVR – Federal Fluminense University UFF Av. dos Trabalhadores 420 – Sala C77 Vila Sta. Cecília RJ Volta Redonda27255-125 Brazil Department of Chemistry Exact Sciences Institute Federal Fluminense University UFF Rua Desembargador Ellis Hermydio Figueira 783 RJ AterradoVolta Redonda27213-145 Brazil Department of Physics Exact Sciences Institute Federal Fluminense University UFF Rua Desembargador Ellis Hermydio Figueira 783 RJ AterradoVolta Redonda27213-145 Brazil Department of Physics Universidade Federal de Roraima Av. Cap. Ene Garcez N. 2413 Paricarana Roraima Boa Vista69310-000 Brazil Departament of Metallurgical Engineering Federal Fluminense University UFF Av. dos Trabalhadores 420 Vila Sta. Cecília RJ Volta Redonda27255-125 Brazil Physics Post-Graduate Program Brazilian Center for Physics Research Rua Doutor Xavier Sigaud 150 Urca RJ Rio de Janeiro22290-180 Brazil Physics Post-Graduate Program Physics Institute Federal Fluminense University UFF Av. Gal. Milton Tavares de Souza S/nº Praia Vermelha Campus RJ Niterói24210-346 Brazil

Ship recycling at the end of its useful life presents significant environmental and health challenges due to the presence of hazardous materials, such as asbestos and synthetic vitreous fibers (SVFs). This study aimed to convert SVFs and asbestos into safe, reusable co-products by incorporating them into a glassy matrix. The materials were melted at 1200 °C for 1 h with utilization of niobium pentoxide (Nb2O5) to lower fusion temperatures. Samples collected from an offshore vessel and platform being recycled in Rio de Janeiro, Brazil, were analyzed using energy-dispersive x-ray spectroscopy (EDS) and scanning electron microscopy (SEM), revealing the presence of SVFs but not asbestos. Seven types of glass were produced, with their non-crystalline, glassy nature confirmed by the presence of an amorphous halo in X-ray diffraction (XRD) and a glass transition observed in differential scanning calorimetry (DSC). These findings demonstrate the potential to transform hazardous waste into value-added products, advancing a circular economy in ship recycling operations. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2025.

关键词： Asbestos

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Plasmonic BICs as Biosensors with Better Detectivity

Plasmonic BICs as Biosensors with Better Detectivity

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2023 Conference on Lasers and Electro-Optics, CLEO 2023

作者： Li, Zhichao Prasad, Ciril S. Wang, Xielin Naik, Gururaj V. Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States

Plasmonic sensors exhibit high sensitivity due to enhanced local fields. But, their detectivity is poor because of their poor Q-factors. Using a plasmonic BIC, we experimentally demonstrate enhanced Q-factors in a pla... 详细信息

ISBN: (纸本)9781957171258

关键词： Q factor measurement

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