- 标题
- 摘要
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- 实验方案
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Spatial Distribution and Seasonal Dynamics of the Chlorophyll a Concentration in the Sea of Azov Based on MERIS Images
摘要： The chlorophyll a concentration (Cchl a) in the Sea of Azov is estimated by the two-band NIR-red algorithm [34] from MERIS images for 2002–2012. The sea-truth spectrophotometric measurements and MERIS remote estimates of Cchl a are compared. The monthly average Cchl a values are mapped from MERIS data for its lifetime for the first time. The features of the spatiotemporal distribution of Cchl a are ascertained. Differences between the seasonal dynamics of Cchl a in the Sea of Azov according to the literature data and the dynamics derived from MERIS data are found, namely: the summer–autumn phytoplankton growth period is longer than the spring period and is characterized by higher Cchl a values throughout the water area.
关键词： MERIS images,chlorophyll a concentration,spatiotemporal distribution,Sea of Azov,seasonal dynamics
更新于2025-09-09 09:28:46
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Thermal conductivity of TiO<sub>2</sub> nanotube: A molecular dynamics study
摘要： The thermal conductivity of anatase TiO2 nanotubes was investigated using equilibrium molecular dynamics simulations based on Green-Kubo formalism. The calculated thermal conductivity of ~8.16 W/K ? m for anatase crystal at room temperature agrees well with experimental value of ~8.5 W/K?m, demonstrating that the method used in our calculation can provide a good description for the thermal transport of TiO2. The dependence of the thermal conductivity of TiO2 nanotubes with temperature, tube size and chirality were studied in detail. The relationship between the thermal conductivity and the vibrational density-of-states of the nanotubes was also investigated.
关键词： Molecular dynamics simulations,Thermal conductivity,Nanotube structure
更新于2025-09-09 09:28:46
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Universal Dissipationless Dynamics in Gaussian Continuous-Variable Open Systems
摘要： We investigate the universal dissipationless dynamics of Gaussian continuous-variable systems in the presence of a band-gapped bosonic environment. Our results show that environmental band gaps can induce localized modes, which give rise to the dissipationless dynamics where the system behaves as free oscillators instead of experiencing a full decay in the long-time limit. We present a complete characterization of localized modes and show the existence of the critical system-environment coupling. Beyond the critical values, localized modes can be produced, and the system dynamics become dissipationless. This novel dynamics can be utilized to overcome the environmental noises and protect the quantum resources in the continuous-variable quantum information.
关键词： dissipationless dynamics,Gaussian continuous-variable systems,quantum information,localized modes,band-gapped bosonic environment
更新于2025-09-09 09:28:46
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Strain engineering for thermal conductivity of diamond nanothread forests
摘要： Thermal properties of the diamond nanothread (DNT) forest array are studied using non-equilibrium molecular dynamics simulations. We find a strong anisotropic thermal property in this structure, i.e. the thermal conductivity in thread direction is over 300 times of that in the perpendicular direction. When subject to external strain, the thermal conductivity of the DNT forest decreases with increasing compressive/tensile strain in the thread direction, while thermal conductivity increases exponentially with increasing compressive strain in the perpendicular direction. The increase in thermal conductivity is attributed to the enhanced interactions among DNTs induced by compression. These results are explained by phonon spectra and structural deformation. Our findings show that diamond nanothread forest has a great potential application in the super-capacitors.
关键词： Anisotropy,Diamond nanothread,Thermal conductivity,Molecular dynamics
更新于2025-09-09 09:28:46
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Quantum interference in the femtosecond photoionization spectra of NaI molecules
摘要： This study investigates femtosecond pump–probe photoionization of NaI molecules by solving the time-dependent Schr?dinger equation?through the wave packet approach. The photoelectron spectra are presented to analyze the dynamic information of the internal wave packet. Quantum interference is observed in the photoelectron kinetic energy spectrum at a certain time delay of the probe field. The interference signals are weak but cover a wide range of energy. This finding is consistent with the interfering process of forward and returned wave packets at short internuclear distances of the repulsive potential.
关键词： photoionization,quantum interference,Wave packet dynamics,photoelectron spectrum
更新于2025-09-09 09:28:46
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Hydrophilicity and Water Contact Angle on Methylammonium Lead Iodide
摘要： Surface properties are often assessed with measurements of the contact angle of a water drop. The process is however flawed for the very important class of hybrid perovskite materials, extensively employed in solar cells and optoelectronics research, because they are water soluble and their surface degrades during contact angle measurements. While hybrid perovskites are considered to be highly hydrophilic, a contact angle with water of 83° can be measured, as if they were almost hydrophobic. By combining experiments and simulations, the actual value is explained as the result of the interaction of water with degraded superficial layers that form over sub-millisecond time scale at the water/perovskite interface. The models are validated against contact angle measurements for water on a variety of substrates, and are referenced to with the Young–Dupré relation between liquid–solid adhesion and contact angle. Present work reconciles the hydrophilic nature of methylammonium lead iodide with the apparent hydrophobic behavior in contact angle measurements, proposing a methodology for the study of contact angle on evolving substrates.
关键词： hybrid perovskites,atomistic simulations,degradation,molecular dynamics,PbI2
更新于2025-09-09 09:28:46
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Characterization of ultrafast plasmon dynamics in individual gold bowtie by time-resolved photoemission electron microscopy
摘要： We report on the investigation of ultrafast dynamics of the plasmonic field in individual gold bowtie nanostructure by combining interferometric time-resolved photoemission electron microscopy with a damped harmonic oscillator model. We experimentally obtain different plasmon dephasing times in the tips of the bowtie nanostructure. In the meantime, we demonstrate that the experimental time-resolved photoemission signal can be used to directly compare resonance frequency and dephasing time of different hot spots. In addition, we find that the plasmon field, which is extracted from the photoemission signal, initially oscillates at the laser field frequency, and finally develops into its eigenfrequency after experiencing a few periods of frequency fluctuation due to the competition between forced and autonomous oscillation of the plasmons.
关键词： ultrafast plasmon dynamics,gold bowtie,resonance frequency,plasmon dephasing times,time-resolved photoemission electron microscopy
更新于2025-09-09 09:28:46
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Correlation between thermal-vibration-induced large displacement of Cu atoms and phase transition in Cu4SnS4: First-principles investigation
摘要： First-principles (FP) calculations and first-principles molecular dynamics (FPMD) simulations for Cu4SnS4 were performed to clarify the origin of the structural phase transition at 232 K between the high-temperature phase (HP) and low-temperature phase (LP), which leads to an experimentally measured drastic change in the transport properties of Cu4SnS4. The results of the FP and PFMD calculations indicated that, rather than being caused by the so-called freezing of soft modes, the key driving force behind the phase transition in Cu4SnS4 is a large-scale displacement of the Cu atoms located at particular sites due to thermal vibration. In fact, tetrahedrally coordinated CuS4 is stabilized by the effect of the thermal vibration of Cu atoms in the HP whereas CuS3, which is in a trigonal planar environment, is stabilized in the LP.
关键词： first-principles calculation,molecular dynamics simulation,thermoelectric property,electronic structure,phase transition
更新于2025-09-09 09:28:46
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Surface enhanced Raman spectroscopy with methyl-orange on Ag-TiO2 nanocomposites: Experimental and theoretical investigation
摘要： Ag-TiO2 nanocomposites of different Ag nanoparticle (NP) concentrations are experimentally prepared and their UV-vis and surface enhanced Raman scattering characteristics are determined. The enhancement of the Raman signal for the ligand methyl-orange (MO) adsorbed onto the nanocomposite system, is observed. To investigate the influence of changing Ag concentration in this nanocomposite system, molecular dynamics (MD) simulations are conducted with both a fixed as well as varying number of the surfactant MO adsorbed onto the nanocomposite. Density functional theory (DFT) simulations are performed to investigate the conditions for charge transfer from the MO surfactant via the highest occupied molecular orbitals (HOMO), lowest unoccupied molecular orbitals (LUMO) as well as the electrostatic potentials. It is shown that the bonding mode of the surfactant contributes greatly to the observed Raman scattering enhancement.
关键词： HOMO-LUMO,Surface Enhanced Raman Scattering,density functional theory,molecular dynamics,Ag-TiO2 nanocomposite,electrostatic potential
更新于2025-09-09 09:28:46
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Competing optical instruments for the estimation of Full Field FRFs
摘要： Thanks to the progress of optical measurement systems, known to use non-contact transducers (with their own peculiarities, application domains and drawbacks), nowadays addressing complex testing problems, especially direct dynamic measurements and modal analyses on lightweight structural components, is becoming even more common than in the recent past. Furthermore, obtaining vibration patterns with optical gears, in broad frequency bands with high spatial resolution, is easier than before, for the advantage of many advanced applications in vibration engineering, testing and product development.
关键词： Full Field Operative Deflection Shapes,Full Field Frequency Response Functions,Dynamic ESPI,Full field vibration measurements,Surface structural dynamics,Optical metrology,Hi-Speed DIC,SLDV
更新于2025-09-09 09:28:46