Armchair graphene nanoribbons with different proportions of edge oxygen atoms are analyzed in this study using the crystal orbital method,which is based on density functional theory.Although buckled edges are present,...Armchair graphene nanoribbons with different proportions of edge oxygen atoms are analyzed in this study using the crystal orbital method,which is based on density functional theory.Although buckled edges are present,all the nanoribbons are energetically favorable.Unlike the adjacent edge oxygen atoms,the isolated edge oxygen atoms cause semiconductor-metal transitions by introducing edge states.For graphene nanoribbons with all oxygen atoms on the edges,band gap and carrier mobility vary with ribbon width.Furthermore,this behavior is different from that of hydrogen-passivated graphene nanoribbons because of different effective widths,which are pictorially presented with crystal orbitals.The carrier mobilities are as 18%~65% magnitude as those of hydrogen-passivated nanoribbons and are of the order of 10^3 cm^2·V^-1·s^-1.展开更多
针对机床的机械故障频发且装配因素难以识别的问题,提出了基于贝叶斯网络的机床装配情景异常推理识别方法。以机械零部件多尺度运动分析为切入点,建立了机床功能-元动作的多尺度映射模型,利用故障模式及影响分析(Failure Mode and Effec...针对机床的机械故障频发且装配因素难以识别的问题,提出了基于贝叶斯网络的机床装配情景异常推理识别方法。以机械零部件多尺度运动分析为切入点,建立了机床功能-元动作的多尺度映射模型,利用故障模式及影响分析(Failure Mode and Effect Analysis,FMEA)方法建立了机床元动作单元关键装配情景构成模型。基于装配情景构成模型建立了元动作单元装配情景的贝叶斯网络结构,利用证据推理法实现了元动作单元装配情景异常概率的智能推理。以蜗轮转动元动作单元为例,构建了蜗轮转动单元装配情景初始贝叶斯网络,获取了蜗轮转动元动作输出的异常概率(由装配因素引起)为2.35%;以蜗轮转动故障为起点进行了贝叶斯网络反向推理,识别出导致蜗轮转动故障的各装配情景异常概率。元动作装配情景的异常识别为实现机床故障装配因素的追溯提供理论依据。展开更多
Several bare zigzag phosphorene nanoribbons with odd number of atoms in the direction perpendicular to the extended line are investigated by using HSE06 density functional theory.These nanoribbons are as stable as tho...Several bare zigzag phosphorene nanoribbons with odd number of atoms in the direction perpendicular to the extended line are investigated by using HSE06 density functional theory.These nanoribbons are as stable as those with even number of atoms.Primitive cells of the nanoribbons are metals,while edge self-passivation and distortion in the supercell structures cause metal-semiconductor transition.The band gaps of semiconducting nanoribbons are around 0.4 eV,which is enough for high on/off ratio in device operation.Compared to the conduction bands,the valence bands have smaller deformation potential constants and larger band width.Thus,the hole mobilities of the nanoribbons（10 cm^2·V^（-1）·s^（-1）） are one order higher than the electron mobilities.Bare zigzag phosphorene nanoribbons with odd number of atoms can also be candidates for small-size high-speed electronic devices.展开更多
基金supported by the National Natural Science Foundation of China(No.21203127)the Beijing Higher Education Young Elite Teacher Project(YETP1629)the Scientific Research Base Development Program of the Beijing Municipal Commission of Education
文摘Armchair graphene nanoribbons with different proportions of edge oxygen atoms are analyzed in this study using the crystal orbital method,which is based on density functional theory.Although buckled edges are present,all the nanoribbons are energetically favorable.Unlike the adjacent edge oxygen atoms,the isolated edge oxygen atoms cause semiconductor-metal transitions by introducing edge states.For graphene nanoribbons with all oxygen atoms on the edges,band gap and carrier mobility vary with ribbon width.Furthermore,this behavior is different from that of hydrogen-passivated graphene nanoribbons because of different effective widths,which are pictorially presented with crystal orbitals.The carrier mobilities are as 18%~65% magnitude as those of hydrogen-passivated nanoribbons and are of the order of 10^3 cm^2·V^-1·s^-1.
文摘针对机床的机械故障频发且装配因素难以识别的问题,提出了基于贝叶斯网络的机床装配情景异常推理识别方法。以机械零部件多尺度运动分析为切入点,建立了机床功能-元动作的多尺度映射模型,利用故障模式及影响分析(Failure Mode and Effect Analysis,FMEA)方法建立了机床元动作单元关键装配情景构成模型。基于装配情景构成模型建立了元动作单元装配情景的贝叶斯网络结构,利用证据推理法实现了元动作单元装配情景异常概率的智能推理。以蜗轮转动元动作单元为例,构建了蜗轮转动单元装配情景初始贝叶斯网络,获取了蜗轮转动元动作输出的异常概率(由装配因素引起)为2.35%;以蜗轮转动故障为起点进行了贝叶斯网络反向推理,识别出导致蜗轮转动故障的各装配情景异常概率。元动作装配情景的异常识别为实现机床故障装配因素的追溯提供理论依据。
基金supported by the National Natural Science Foundation of China(No.21203127)the Beijing Higher Education Young Elite Teacher Project(YETP1629)the Scientific Research Base Development Program of the Beijing Municipal Commission of Education
文摘Several bare zigzag phosphorene nanoribbons with odd number of atoms in the direction perpendicular to the extended line are investigated by using HSE06 density functional theory.These nanoribbons are as stable as those with even number of atoms.Primitive cells of the nanoribbons are metals,while edge self-passivation and distortion in the supercell structures cause metal-semiconductor transition.The band gaps of semiconducting nanoribbons are around 0.4 eV,which is enough for high on/off ratio in device operation.Compared to the conduction bands,the valence bands have smaller deformation potential constants and larger band width.Thus,the hole mobilities of the nanoribbons（10 cm^2·V^（-1）·s^（-1）） are one order higher than the electron mobilities.Bare zigzag phosphorene nanoribbons with odd number of atoms can also be candidates for small-size high-speed electronic devices.
