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Site-controlled formation of single Si nanocrystals in a buried SiO <sub/>2</sub> matrix using ion beam mixing
摘要： For future nanoelectronic devices – such as room-temperature single electron transistors – the site-controlled formation of single Si nanocrystals (NCs) is a crucial prerequisite. Here, we report an approach to fabricate single Si NCs via medium-energy Si+ or Ne+ ion beam mixing of Si into a buried SiO2 layer followed by thermally activated phase separation. Binary collision approximation and kinetic Monte Carlo methods are conducted to gain atomistic insight into the influence of relevant experimental parameters on the Si NC formation process. Energy-filtered transmission electron microscopy is performed to obtain quantitative values on the Si NC size and distribution in dependence of the layer stack geometry, ion fluence and thermal budget. Employing a focused Ne+ beam from a helium ion microscope, we demonstrate site-controlled self-assembly of single Si NCs. Line irradiation with a fluence of 3000 Ne+/nm2 and a line width of 4 nm leads to the formation of a chain of Si NCs, and a single NC with 2.2 nm diameter is subsequently isolated and visualized in a few nanometer thin lamella prepared by a focused ion beam (FIB). The Si NC is centered between the SiO2 layers and perpendicular to the incident Ne+ beam.
关键词： phase separation,Monte Carlo simulations,single electron transistor,ion beam mixing,helium ion microscopy
更新于2025-11-21 11:20:48
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Bulk luminescent solar concentrators based on organic-inorganic CH3NH3PbBr3 perovskite fluorophores
摘要： In this paper, we report characterization and performance results of lead bromide perovskite luminescent solar concentrator. CH3NH3PbBr3 fluorophores are synthesized by sonication method and examined by their X-ray diffraction pattern and scanning electron microscopy. Synthesized perovskite shows excitonic absorption at 524 nm and PL emission peak located at 532 nm with a Stokes shift around 8 nm. Micron-sized fluorophores are dissolved in prepared solutions and uniformly embedded in PMMA host with 0.006–0.120%wt concentration. Then, Fabricated devices are cut into 50 × 30 × 5 mm cuboid shapes and placed in a mirror surrounded configuration with an attached photovoltaic cell. Fabricated device is put under standard AM1.5 illumination and the output spectrum from the concentrator is acquired. Re-absorption in the samples is also measured by variable optical path method, showing red-shifts up to 13 nm in the output spectrum. Spatially resolved photo-luminescence maps and optical efficiencies are also presented for each sample. Plus, a Monte-Carlo ray tracing algorithm is developed to assist better understanding the experimental results. Stability of fabricated samples are evaluated under high intensity UV illumination, reporting efficiency reduction around 15% after 24 h. Finally, Comparing current-voltage characterization of the attached photovoltaic cell reveals optimized efficiency enhancement in the 0.04%wt sample above 65%.
关键词： Perovskites,Monte-Carlo simulation,Re-absorption,Luminescent solar concentrators,Photovoltaic conversion efficiency,Solar cells
更新于2025-11-14 15:30:11
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Effect of exciton diffusion on the triplet-triplet annihilation rate in organic semiconductor host-guest systems
摘要： We study the contribution of triplet exciton diffusion to the efficiency loss resulting from F?rster-type triplet-triplet annihilation (TTA) in organic phosphorescent semiconductor host-guest systems, using kinetic Monte Carlo (KMC) simulations. Our study focusses on diffusion due to F?rster-type guest-guest transfer, but includes also a comparison with simulation results for the case of Dexter-type guest-guest transfer. The simulations are carried out for a wide range of F?rster radii, and for guest concentrations up to 100 mol%, with the purpose to support analyses of time-resolved photoluminescence experiments probing TTA. We find that the relative contribution of diffusion to the TTA-induced efficiency loss may be deduced quite accurately from a quantitative experimental measure for the shape of the time-dependent photoluminescence intensity, the so-called r ratio. For small guest concentrations and F?rster radii that are most relevant to organic light-emitting diodes (OLEDs), the diffusion contribution is in general quite small. Under these weak-diffusion conditions, the absolute diffusion contribution to the TTA-induced efficiency loss can be understood quantitatively using a capture radius formalism. The effective guest-guest diffusion coefficient that follows from the TTA simulations, using the capture radius formalism, agrees well with the diffusion coefficient that follows from direct KMC diffusion simulations. The simulations reveal that the diffusion coefficient is strongly affected by the randomness of the distribution of guest molecule locations.
关键词： OLEDs,photoluminescence,kinetic Monte Carlo simulations,Dexter transfer,organic semiconductors,triplet-triplet annihilation,exciton diffusion,host-guest systems,F?rster transfer
更新于2025-09-23 15:23:52
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Monte Carlo based model for diffuse reflectance from turbid media for the diagnosis of epithelial dysplasia
摘要： Diffuse reflectance from biological tissue has been widely used in diagnostic oncology for characterizing biochemical and morphological changes in epithelial tissue. However, computational complexity and time consumption involved in the extraction of absorption and scattering properties of tissues from diffuse reflectance reduce its potentiality for the effective diagnosis in a clinical setup. In this regard, a simple and accurate empirical equation for diffuse reflectance from a turbid medium was developed. A diffuse reflectance lookup table was generated using Monte Carlo simulations of all the optical properties typical of soft tissues in the visible and near infrared region of the spectrum for a semi-infinite medium. The generated lookup table was used to extract an empirical equation for diffuse reflectance using the surface fitting method. The proposed equation was tested with simulations and tissue phantom validation studies. The accuracy of the proposed empirical equation is tenfold higher than the diffusion approximation method. The uniqueness of the present method lies in its reliability even at extremities.
关键词： turbid medium,empirical model,Monte Carlo,epithelial dysplasia,diffuse reflectance
更新于2025-09-23 15:23:52
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Determination of high-temperature radiative properties of porous silica by combined image analysis, infrared spectroscopy and numerical simulation
摘要： The influence of the texture of fused silica glasses ? containing unconnected spherical bubbles ? on their thermal radiative properties was investigated by combining experimental measurements and numerical simulations. Exact numerical replicas of the porous samples were obtained from X-ray microtomography and image analysis showed that their bubble populations include two lognormal distributions of radii. The complex refractive index of the silica matrix was extracted from emittance measurements acquired at 1200 K on two reference silica samples. The comparison between direct measurements of the normal spectral emittance of the porous samples and those generated by applying Monte-Carlo ray tracing, performed on the numerical replicas, validated the use of geometric optics. The OH content of the porous samples was evaluated to be around 210 ppm. Ray tracing simulations carried out on a set of virtual samples having a similar texture proved to be a flexible means to address experimental limits when characterizing semi-transparent materials. The simulations also provided a natural framework to test the ability of the modified two-flux approximation model to predict the thermal radiative response of the porous silica investigated.
关键词： Radiative properties,X-ray microtomography,Porous silica glass,Spectral emittance,Monte-Carlo ray tracing
更新于2025-09-23 15:23:52
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Study of the effects of phytoplankton morphology and vertical profile on lidar attenuated backscatter and depolarization ratio
摘要： Propagation of a lidar beam in a coupled atmosphere-ocean model consisting of multiple atmospheric and upper oceanic layers and a rough ocean surface is studied by using a vectorized Monte Carlo radiative transfer solver optimized specifically for lidar-based remote sensing applications. The effects of assumed phytoplankton morphology variations and its vertical distribution on the lidar attenuated backscatter and depolarization ratio are studied. In this study, a phytoplankton particle is assumed to be a sphere, a sphere with a core, or a randomly distorted hexahedron with or without a core. The single-scattering properties of the nonspherical/inhomogeneous particles are computed using appropriate state-of-the-art light-scattering computational capabilities. Vertical variation of the phytoplankton distribution is derived explicitly using a PAR (photosynthetically active radiation) limited carbon biomass balance equation that is subsequently coupled with the Monte Carlo solver.
关键词： Radiative transfer,Lidar,Ocean optics,Monte Carlo,Phytoplankton,Net primary production,Remote sensing
更新于2025-09-23 15:23:52
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An unstructured Monte Carlo ray-tracing method for solving radiative heat transfer in 3D gray semitransparent medium
摘要： Monte Carlo ray-tracing method (MCRTM) is widely used for solving the Radiative Transfer equation (RTE) due to its high accuracy and flexibility. In this paper, a MCRTM is developed for solving the radiative heat transfer in gray semitransparent media with complex geometries which are discretized by 3D unstructured grids. A novel algorithm associated to unstructured four-node tetrahedron element is proposed for generating random emitting positions of rays, and the ray tracing process is performed based on Beer's law. Meanwhile, radiation distribution factors are used for calculating radiative source terms which are loaded to the grid. The present method is first validated by comparing the predictive results with those from previous studies on a cubic enclosure, a 3D L-shaped enclosure, and a 3D elliptical enclosure, respectively. Furthermore, a radiation-conduction heat transfer problem is examined in a cylindrical enclosure. All the comparisons show that the present method is in good agreement with these previous cases. This method can be well adapted to various complex geometries. In addition, since the source term is calculated by the radiation distribution factor, which can be reused for different conditions as long as the volumetric radiative properties remain unchanged, this will bring great advantage when coupled with other heat transfer models such as conduction, convection, combustion, etc.
关键词： Monte Carlo ray-tracing method,Radiative heat transfer,Semitransparent medium,Radiation distribution factor,Unstructured grids
更新于2025-09-23 15:23:52
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Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach
摘要： The contribution of static and thermal disorder is one of the largest challenges for the accurate determination of the atomic structure from the extended X-ray absorption fine structure (EXAFS). Although there are a number of generally accepted approaches to solve this problem, which are widely used in the EXAFS data analysis, they often provide less accurate results when applied to outer coordination shells around the absorbing atom. In this case, the advanced techniques based on the molecular dynamics and reverse Monte Carlo simulations are known to be more appropriate: their strengths and weaknesses are reviewed here.
关键词： Reverse Monte Carlo,Extended X-ray absorption fine structure (EXAFS),Molecular dynamics,Static and thermal disorder,X-ray absorption spectroscopy
更新于2025-09-23 15:23:52
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Development and characterization of air kerma cavity standard
摘要： Ionization chambers are the most common detectors for precise measurements such as these required in radiation protection and radiotherapy. This paper presents the design, development and characterization of a new graphite–walled cavity ionization chamber used as a primary standard for air kerma rate for 137Cs and 60Co gamma radiation of the Central Office of Measures (GUM). The paper describes particularly methods for a cavity volume determination and the cavity volume relation to an electric field. The various correction factors to be applied to the primary standards and their determination by experimental and Monte Carlo methods are discussed. Re–evaluation of the standard according to the recommendations of ICRU90 Report for the new primary standard is presented. A typical uncertainty budget for the graphite-walled cavity ionization chamber as a primary standard for air kerma rate for gamma radiation is presented and results of internal comparisons between standards are summarized and discussed.
关键词： ionization chamber,air kerma cavity standard,Monte Carlo simulation,gamma radiation
更新于2025-09-23 15:23:52
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Comparison the electron momentum and energy relaxation process in wurtzite GaN, InN and AlN by Monte Carlo method
摘要： At present, both transient and steady transport properties of III-V nitride semiconductors are researched, however, few research concerns about the momentum and energy relaxation process, which will be important during device designing. In order to clarify the fundamental physical process of the relaxation phenomenon, both momentum and energy relaxation process in wurtzite GaN, InN and AlN are studied with the help of classic three valleys Monte Carlo method. Our goal is to understand the relationship of relaxation rate with electric field, temperature and clarify the role of scattering mechanisms during momentum and energy relaxation process. The research shows that when the electric field and temperature are different, the main momentum and energy relaxation mechanisms may be different. For the lower effective mass in the lowest valley for InN, the electrons are more easily accelerated by electric field and scattered into the satellite valleys. The momentum relaxation time is much lower than that of energy relaxation time, the reason is that nearly all scattering mechanisms will relax momentum, but only polar optical phonon and inter-valley scattering relax electron energy. The research here can be used for construct the relaxation model or as a guide for device design.
关键词： Monte Carlo,III-V nitride,Electron momentum and energy relaxation
更新于2025-09-23 15:23:52