We have investigated the formation of pure Ir,Ir_(0.75)Au_(0.25),Ir_(0.5)Au_(0.5),Ir_(0.25)Au_(0.75),and pure Au nanoclusters through the inert-gas condensation method using MD simulation.The effects of mole fraction,...We have investigated the formation of pure Ir,Ir_(0.75)Au_(0.25),Ir_(0.5)Au_(0.5),Ir_(0.25)Au_(0.75),and pure Au nanoclusters through the inert-gas condensation method using MD simulation.The effects of mole fraction,temperature,and pressure on the different thermodynamic and structural properties of the produced nanoclusters have been investigated.The results showed that the size and number of the formed clusters increased with the increasing temperature and pressure;this was in good agreement with the experimental results obtained for metallic clusters.Our results also show that the stability of the produced nanoclusters increases as the Au mole fraction increases,whereas their stability decreases as the temperature and pressure increase.The Au atoms tend to lie on the cluster surface,whereas the Ir atoms tend to lie at the cluster cores.The percent of the surface Au atoms also increased as the Au mole fraction,temperature,and pressure increased.The radial distribution function(RDF)results indicate that the core–shell structures have not been produced in these simulations.We have also shown that the sphericity of the produced smaller clusters increases with the increasing Au mole fraction.The sphericity also increased with the increasing temperature and pressure.Our structural investigations also showed that some ordered clusters containing the fcc and hcp atoms were formed during these simulations.The percentage of the fcc atoms also increased with the increasing pressure.However,the surface of the produced clusters contained disordered atoms.展开更多
Fabry–Perot(F–P)tunable filter based on micro-electro-mechanical system(MEMS)was widely used in optical communication,laser,and optical imaging.At present,there is little research on F–P filters in the near-infrare...Fabry–Perot(F–P)tunable filter based on micro-electro-mechanical system(MEMS)was widely used in optical communication,laser,and optical imaging.At present,there is little research on F–P filters in the near-infrared band from 1260 nm to 1620 nm.Therefore,this paper designs a novel F–P filter based on MEMS.Three improved cantilevers beam circular bridge deck structures,including circular holes,V-shaped grooves,and square grooves,were analyzed through finite element simulation.The voltage-displacement,von Mises stress,and mirror flatness were obtained to select the optimal bridge deck structure.The results show that when different bridge decks reach the same displacement,the voltage required by the square grooves cantilever beam bridge deck is the smallest,and the von Mises stress and mirror flatness of the square grooves bridge deck structure can also meet the design requirements of the filter.Finally,the filtering performance of the optimized square grooves bridge deck structure filter is analyzed.展开更多
Richard Feynman once stated:“Turbulence is the most important unsolved problem of classical physics.”Due to its chaotic and multiscale nature,a faithful simulation of turbulence presents a formidable challenge for c...Richard Feynman once stated:“Turbulence is the most important unsolved problem of classical physics.”Due to its chaotic and multiscale nature,a faithful simulation of turbulence presents a formidable challenge for classical computers.This computational barrier reflects Feynman's early observations on the limitations of classical computers.Beyond his pioneering remark on quantum simulation,the application of quantum computing to classical problems has also emerged as an active field of research.展开更多
Charge transport in organic amorphous systems has been considered to occur by intermolecular hopping.However,it has been difficult to reveal even the intra-and intermolecular structures because of their amorphous natu...Charge transport in organic amorphous systems has been considered to occur by intermolecular hopping.However,it has been difficult to reveal even the intra-and intermolecular structures because of their amorphous nature.Therefore,the details of charge transport at the molecular level have not been clarified.Here,we investigate a detailed molecular-level insight into the charge transport in an amorphous film by the analysis of multiscale simulation.The charge mobility is normally described by a constant value but is found to be widely distributed with two orders of magnitude even in the 100 nm neat film.From the detailed analysis at the molecular level,it becomesclear that there are three types of charge traps;in addition to(1)the well-known traps due to the site energy difference,we found(2)traps caused by the distribution of molecular packings in the aggregate,and(3)those by charge hopping against the electric field.These traps are the origins of the widely distributed mobilities and the understanding of these traps is important to improve mobility.展开更多
文摘We have investigated the formation of pure Ir,Ir_(0.75)Au_(0.25),Ir_(0.5)Au_(0.5),Ir_(0.25)Au_(0.75),and pure Au nanoclusters through the inert-gas condensation method using MD simulation.The effects of mole fraction,temperature,and pressure on the different thermodynamic and structural properties of the produced nanoclusters have been investigated.The results showed that the size and number of the formed clusters increased with the increasing temperature and pressure;this was in good agreement with the experimental results obtained for metallic clusters.Our results also show that the stability of the produced nanoclusters increases as the Au mole fraction increases,whereas their stability decreases as the temperature and pressure increase.The Au atoms tend to lie on the cluster surface,whereas the Ir atoms tend to lie at the cluster cores.The percent of the surface Au atoms also increased as the Au mole fraction,temperature,and pressure increased.The radial distribution function(RDF)results indicate that the core–shell structures have not been produced in these simulations.We have also shown that the sphericity of the produced smaller clusters increases with the increasing Au mole fraction.The sphericity also increased with the increasing temperature and pressure.Our structural investigations also showed that some ordered clusters containing the fcc and hcp atoms were formed during these simulations.The percentage of the fcc atoms also increased with the increasing pressure.However,the surface of the produced clusters contained disordered atoms.
基金supported by the National Natural Science Foundation of China(Nos.62205040 and 51874064)the Chongqing University of Technology Graduate Innovation Project(No.gzlcx20243295).
文摘Fabry–Perot(F–P)tunable filter based on micro-electro-mechanical system(MEMS)was widely used in optical communication,laser,and optical imaging.At present,there is little research on F–P filters in the near-infrared band from 1260 nm to 1620 nm.Therefore,this paper designs a novel F–P filter based on MEMS.Three improved cantilevers beam circular bridge deck structures,including circular holes,V-shaped grooves,and square grooves,were analyzed through finite element simulation.The voltage-displacement,von Mises stress,and mirror flatness were obtained to select the optimal bridge deck structure.The results show that when different bridge decks reach the same displacement,the voltage required by the square grooves cantilever beam bridge deck is the smallest,and the von Mises stress and mirror flatness of the square grooves bridge deck structure can also meet the design requirements of the filter.Finally,the filtering performance of the optimized square grooves bridge deck structure filter is analyzed.
文摘Richard Feynman once stated:“Turbulence is the most important unsolved problem of classical physics.”Due to its chaotic and multiscale nature,a faithful simulation of turbulence presents a formidable challenge for classical computers.This computational barrier reflects Feynman's early observations on the limitations of classical computers.Beyond his pioneering remark on quantum simulation,the application of quantum computing to classical problems has also emerged as an active field of research.
基金supported by JSPS KAKENHI grant numbers:JP20H05840(Grant-in-Aid for Transformative Research Areas,“Dynamic Exciton”,H.K.)JSPS Core-to-Core Program:JPJSCCA20220004(H.K.)JST SPRING:JPMJSP2110(H.S.).
文摘Charge transport in organic amorphous systems has been considered to occur by intermolecular hopping.However,it has been difficult to reveal even the intra-and intermolecular structures because of their amorphous nature.Therefore,the details of charge transport at the molecular level have not been clarified.Here,we investigate a detailed molecular-level insight into the charge transport in an amorphous film by the analysis of multiscale simulation.The charge mobility is normally described by a constant value but is found to be widely distributed with two orders of magnitude even in the 100 nm neat film.From the detailed analysis at the molecular level,it becomesclear that there are three types of charge traps;in addition to(1)the well-known traps due to the site energy difference,we found(2)traps caused by the distribution of molecular packings in the aggregate,and(3)those by charge hopping against the electric field.These traps are the origins of the widely distributed mobilities and the understanding of these traps is important to improve mobility.
