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表面基团对Ti_(3)C_(2)T_(x)吸附NO性能影响的第一性原理研究
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作者 邱毅 邹江峰 +4 位作者 马智炜 罗强 刘忠华 陈洋 代逸飞 《材料导报》 EI CAS CSCD 北大核心 2024年第5期138-142,共5页
本工作基于密度泛函理论的第一性原理方法,构建了Ti_(3)C_(2)O_(2)、Ti_(3)C_(2)O1.5(OH)0.5、Ti_(3)C_(2)O(OH)、Ti_(3)C_(2)O1.5F0.5和Ti_(3)C_(2)OF五种模型,从几何结构、电荷转移以及电子性质等方面研究了基团种类和比例对Ti_(3)C_(... 本工作基于密度泛函理论的第一性原理方法,构建了Ti_(3)C_(2)O_(2)、Ti_(3)C_(2)O1.5(OH)0.5、Ti_(3)C_(2)O(OH)、Ti_(3)C_(2)O1.5F0.5和Ti_(3)C_(2)OF五种模型,从几何结构、电荷转移以及电子性质等方面研究了基团种类和比例对Ti_(3)C_(2)T_(x)吸附NO的影响。结果表明:相较于Ti_(3)C_(2)O_(2),含低比例-OH和-F基团的Ti_(3)C_(2)T_(x)对NO的吸附能更大,电荷转移更弱,不利于其探测NO,与实验结果一致;但随着-OH和-F比例的提高,吸附能分别减小和增大,电荷转移分别增强和减弱,表明高比例的-OH有利于Ti_(3)C_(2)T_(x)探测NO,而高比例的-F是不利的;同时,在吸附NO后,Ti_(3)C_(2)O_(2)在费米能级附近的能带极值曲率变小,电子有效质量增大,表明-O基团有利于Ti_(3)C_(2)T_(x)探测NO。在几何弛豫过程中NO分子总是以N原子靠近衬底,吸附距离均较小,而且最近邻原子的电子轨道出现杂化,电子的聚集和消散位于两端,表明最近邻原子间成键较弱且偏离子性。此计算结果可以为Ti_(3)C_(2)T_(x)探测和屏蔽NO提供理论指导,同时为Ti_(3)C_(2)T_(x)的表面改性提供思路。 展开更多
关键词 二维材料 Ti_(3)C_(2)T_(x) NO吸附 密度泛函理论 电子性质
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CoP修饰Ti_(3)C_(2)T_(x)MXene纳米复合材料作为高效析氢反应电催化剂 被引量:1
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作者 孙巍 王永靖 +5 位作者 项坤 白赛帅 王海涛 邹菁 Arramel 江吉周 《物理化学学报》 SCIE CAS CSCD 北大核心 2024年第8期36-39,共4页
高效、经济和环保是电化学水分解制氢电催化剂的关键要素。二维(2D)MXene材料因其独特的物理化学性质而受到广泛关注。虽然有许多不同种类的MXene材料,但只有少数具有本征析氢反应(HER)催化活性。然而,MXene材料具有很多优点,如较大的... 高效、经济和环保是电化学水分解制氢电催化剂的关键要素。二维(2D)MXene材料因其独特的物理化学性质而受到广泛关注。虽然有许多不同种类的MXene材料,但只有少数具有本征析氢反应(HER)催化活性。然而,MXene材料具有很多优点,如较大的比表面积、高电导率和丰富的表面官能团,因此可以作为与其他物质复合的理想平台。本研究首先通过密度泛函理论(DFT)预测了CoP与Ti_(3)C_(2)T_(x)MXene(其中T_(x)=―F和―OH官能团)具有低的氢吸附自由能(ΔGH^(*))。接着,我们合成了CoP-Ti_(3)C_(2)T_(x)MXene纳米复合材料,并在0.5 mol∙L^(−1)H_(2)SO_(4)中测试了其电催化HER性能。该材料在电流密度为10 mA∙cm^(−2)时表现出了低的过电位(135 mV)和Tafel斜率为48 mV∙dec^(−1)。理论计算表明,CoP-Ti_(3)C_(2)T_(x)MXene纳米复合材料的优异电催化性能源于Ti_(3)C_(2)T_(x)的高金属导电性、良好的界面电荷转移、快速的氢吸附/解吸过程以及优化的电子结构。 展开更多
关键词 Ti_(3)C_(2)T_(x)Mxene 析氢反应 COP 密度泛函理论 界面电荷转移
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The Pursuit of Unhappiness:The Ground Theory to Explain Why People Choose to Be Unhappy Rather Than Happy
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作者 Michael Galanakis 《Psychology Research》 2023年第2期51-59,共9页
This article presents a ground theory to explain why some individuals choose to be unhappy rather than happy,supported by empirical data collected from a sample of 750 professionals in Greece’s public and private sec... This article presents a ground theory to explain why some individuals choose to be unhappy rather than happy,supported by empirical data collected from a sample of 750 professionals in Greece’s public and private sectors.We begin by reviewing the existing literature on happiness and well-being,highlighting the debate between hedonic and eudaimonic perspectives.We then introduce our research questions and rationale,and describe our methods,sample,and psychometric tools used to measure happiness and other variables of interest.Our results indicate that various factors,including cultural influences,past experiences,and personal values,contribute to individuals’pursuit of unhappiness.We conclude with a thorough discussion of our results and their implications for future research and interventions aimed at promoting well-being. 展开更多
关键词 unhappiness HAPPINESS ground theory empirical data public sector private sector Greece x2 Models R squared
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“X不了一点”的构式解析及机制动因探索
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作者 王紫悦 刘正江 《语文学刊》 2024年第2期42-47,共6页
“X不了一点”是一种新兴的口语表达,该构式由变项“X”和常项“不了+一点”组成。根据构式语法和语法化相关理论,能进入该构式的变项“X”的词性分布呈现动词为主,形容词次要,兼及名词的特点;在变项与常项进行构件组合的过程中,呈现出... “X不了一点”是一种新兴的口语表达,该构式由变项“X”和常项“不了+一点”组成。根据构式语法和语法化相关理论,能进入该构式的变项“X”的词性分布呈现动词为主,形容词次要,兼及名词的特点;在变项与常项进行构件组合的过程中,呈现出复杂的语义内涵及语义特征差异;该构式具有凸显主观评价态度的语用功能,其形成机制和动因可以归纳为构式压制、主观性和互动主观性、语言特区和语境吸收、高频率使用等核心要素。 展开更多
关键词 x不了一点” 构式语法 语法化理论 主观性
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“1+X”证书制度下《商务数据分析》课程改革探索——以柳州职业技术学院电子商务专业为例
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作者 李微微 《办公自动化》 2024年第6期46-49,共4页
在电子商务领域,商务数据蕴藏着巨大商机,数据分析已是电子商务从业人员不可或缺的一项重要技能。本文首先明确《商务数据分析》的课程目标与定位,提出《商务数据分析》教学中存在的问题,其次针对问题进行相应的改革探索,最后总结改革... 在电子商务领域,商务数据蕴藏着巨大商机,数据分析已是电子商务从业人员不可或缺的一项重要技能。本文首先明确《商务数据分析》的课程目标与定位,提出《商务数据分析》教学中存在的问题,其次针对问题进行相应的改革探索,最后总结改革实施取得的成果及今后的反思与改进。 展开更多
关键词 商务数据分析 “1+x”证书 理实一体化 课证赛融通
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红色荧光粉KY_yEu_(1-y)(WO_4)_x(MoO_4)_(2-x)的制备及其发光性能研究 被引量:8
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作者 谢安 袁曦明 +2 位作者 王娟娟 尹海斌 王峰 《中国稀土学报》 CAS CSCD 北大核心 2009年第4期501-505,共5页
采用高温固相法结合超声波技术合成了红色荧光粉KYyEu1-y(WO4)x(MoO4)2-x系列,探讨了其合成工艺条件,确定了最佳烧结温度为750℃,烧结时间为5h;并确定了当x=0.5,y=0.1时样品的相对发光亮度达到最大值为118.2,发射峰的位置处在615nm附近(... 采用高温固相法结合超声波技术合成了红色荧光粉KYyEu1-y(WO4)x(MoO4)2-x系列,探讨了其合成工艺条件,确定了最佳烧结温度为750℃,烧结时间为5h;并确定了当x=0.5,y=0.1时样品的相对发光亮度达到最大值为118.2,发射峰的位置处在615nm附近(Eu3+离子的5D0→7F2跃迁),色纯度高,显色性能好。经过研究发现,随着钨酸盐的浓度增加,以466nm波长激发时,Eu3+的5D0→7F2跃迁发射强度也相应增加,当Mo/W=3时亮度达到最大值。 展开更多
关键词 红粉 钼酸盐/钨酸盐 KYyEu1-y(WO4)x(MoO4)2-x 白光LED 稀土
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(1-y)Ca_(1-x)La_(2x/3)TiO_3-yCa(Mg_(1/3) Nb_(2/3))O_3系陶瓷的缺位结构与微波介电性能研究 被引量:2
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作者 王浩 陈文 刘涛 《材料科学与工程学报》 CAS CSCD 北大核心 2004年第4期515-518,共4页
采用固相合成法制备了 (1-y)Ca1 -xLa2x 3TiO3-yCa(Mg1 3Nb2 3)O3系列固溶体陶瓷材料 ,研究了该体系微波介电性能与微观结构的关系。研究结果表明 :当体系组成为 0 .5Ca0 .6 La0 .2 6 7TiO3 0 .5Ca(Mg1 3Nb2 3)O3时 ,在 14 0 0... 采用固相合成法制备了 (1-y)Ca1 -xLa2x 3TiO3-yCa(Mg1 3Nb2 3)O3系列固溶体陶瓷材料 ,研究了该体系微波介电性能与微观结构的关系。研究结果表明 :当体系组成为 0 .5Ca0 .6 La0 .2 6 7TiO3 0 .5Ca(Mg1 3Nb2 3)O3时 ,在 14 0 0°C下烧结保温 4小时所得到材料的微波介电性能最佳 :εr=5 5 ,Q×f值 =4 5 0 0 0GHz(7.6GHz下 ) ,τf=0 .0 4× 10 - 6 °C。同时还探讨了三价阳离子La3+ 固溶时产生的A点缺陷VCa2 + 对固溶体结构及微波介电性能的影响。 展开更多
关键词 固相合成法 微波介质陶瓷 复合钙钛矿 介电性能 A位点缺陷 (1-y)Ca1-xLa2x/3TiO3-yCa(Mg1/3Nb2/3)O3系陶瓷
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An R(x)-orthonormal theory for the vibration performance of a non-smooth symmetric composite beam with complex interface 被引量:2
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作者 Chein-Shan Liu Bo-Tong Li 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2019年第1期228-241,I0007,共15页
A composite beam is symmetric if both the material property and support are symmetric with respect to the middle point. In order to study the free vibration performance of the symmetric composite beams with different ... A composite beam is symmetric if both the material property and support are symmetric with respect to the middle point. In order to study the free vibration performance of the symmetric composite beams with different complex nonsmooth/discontinuous interfaces, we develop an R(x)-orthonormal theory, where R(x) is an integrable flexural rigidity function. The R(x)-orthonormal bases in the linear space of boundary functions are constructed, of which the second-order derivatives of the boundary functions are asked to be orthonormal with respect to the weight function R(x). When the vibration modes of the symmetric composite beam are expressed in terms of the R(x)-orthonormal bases we can derive an eigenvalue problem endowed with a special structure of the coefficient matrix A :=[aij ],aij= 0 if i + j is odd. Based on the special structure we can prove two new theorems, which indicate that the characteristic equation of A can be decomposed into the product of the characteristic equations of two sub-matrices with dimensions half lower. Hence, we can sequentially solve the natural frequencies in closed-form owing to the specialty of A. We use this powerful new theory to analyze the free vibration performance and the vibration modes of symmetric composite beams with three different interfaces. 展开更多
关键词 SYMMETRIC composite beams R(x)-orthogonality of second-order derivatives of boundary functions R(x)-orthonormal theory Non-smooth/discontinuous interface Sequentially closed-from natural frequencies
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Mechanisms of Transforming CH_x to CO on Ni(111) Surface by Density Functional Theory 被引量:1
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作者 Yingzhe Yu Hao Lei +1 位作者 Lingguang Wang Minhua Zhang 《Transactions of Tianjin University》 EI CAS 2019年第4期330-339,共10页
To elucidate feasible routes of producing CO from CH 3 and unravel the eff ect of adsorbed O on CH x transformation, the reactivity of CH x ( x = 1-3) with and without the assistance of adsorbed atomic O on Ni(111) wa... To elucidate feasible routes of producing CO from CH 3 and unravel the eff ect of adsorbed O on CH x transformation, the reactivity of CH x ( x = 1-3) with and without the assistance of adsorbed atomic O on Ni(111) was explored using density functional theory calculations. The adsorption energies of CH x ( x = 0-3) were found to be signifi cantly reduced on an O-preadsorbed Ni(111) surface compared to a pure surface. Furthermore, O-assisted one-step dehydrogenation of CH x ( x = 1-3) features energy barriers and thus is diffi cult to proceed. In terms of energy, the direct dissociation of CH 3 is favorable, except for the last CH dehydrogenation, which is energy intensive. Interestingly, in O-assisted two-step CH transformation to CO via CHO intermediate, the barrier is dramatically lowered. The successive dehydrogenations of CH x O ( x = 1-3) were also found to be a route for CO formation. Finally, two possible pathways from CH 3 to CO are proposed:(a) CH 3 → CH 2 → CH → CHO → CO;(b) CH 3 → CH 3 O → CH 2 O → CHO → CO. 展开更多
关键词 Density functional theory CH x transformation CO Ni(111)
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非对称Mg_(x)Zn_(1-x)O/ZnO/Mg_(y)Zn_(1-y)O量子阱中杂质态子态跃迁光吸收
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作者 王嫣然 昝宇海 +1 位作者 屈媛 班士良 《内蒙古大学学报(自然科学版)》 CAS 北大核心 2022年第5期489-499,共11页
采用密度矩阵法探讨具有混相非对称Mg_(x)Zn_(1-x)O/ZnO/Mg_(y)Zn_(1-y)O量子阱中杂质态子态间跃迁光吸收及其相关的尺寸和混晶效应。在较宽Mg组分x范围内,特别针对纤锌矿和闪锌矿的混相区间(0.37<x<0.62),考虑内建电场和Hartree... 采用密度矩阵法探讨具有混相非对称Mg_(x)Zn_(1-x)O/ZnO/Mg_(y)Zn_(1-y)O量子阱中杂质态子态间跃迁光吸收及其相关的尺寸和混晶效应。在较宽Mg组分x范围内,特别针对纤锌矿和闪锌矿的混相区间(0.37<x<0.62),考虑内建电场和Hartree势的作用,讨论跃迁光吸收系数。结合变分法和有限差分法,获得杂质子态的波函数及其本征能。所得结果表明:与单相只有单个光吸收峰不同,在混相结构中存在两类光吸收峰分别对应纤锌矿和闪锌矿结构。与电子子带间跃迁光吸收相比,获得的杂质子态间跃迁光吸收系数α_(nm)(从n态到m态的跃迁)的峰位出现蓝移,且振幅增大。α_(12)和α_(13)的峰位随着y的增加向较低入射光子波长λ移动(蓝移),但随着阱宽的增加而向较长λ移动(红移),从而调制光探测区域。结果有助于光电探测器的设计和制作。 展开更多
关键词 光吸收 杂质态子态间跃迁 三元混晶 混相 非对称Mg_(x)Zn_(1-x)O/ZnO/Mg_(y)Zn_(1-y)O量子阱
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基于InP/In_(1-x)Ga_(x)As_(y)P_(1-y)加载条状波导的宽带波长转换数值研究
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作者 文进 何晨瑶 +7 位作者 秦韦俊 孙伟 梁伯植 熊科宇 张辉 武政委 于慧敏 王倩 《光子学报》 EI CAS CSCD 北大核心 2022年第10期298-307,共10页
Ⅲ-Ⅴ族半导体波导平台在实现主动和被动器件单片集成上有自身的优势,同时基于Ⅲ-Ⅴ族材料的波长转换器可以通过非线性效应扩展波长范围。设计了一种基于InP/In_(1-x)Ga_(x)As_(y)P_(1-y)半导体波导平台的加载条状波导,并研究了基于该... Ⅲ-Ⅴ族半导体波导平台在实现主动和被动器件单片集成上有自身的优势,同时基于Ⅲ-Ⅴ族材料的波长转换器可以通过非线性效应扩展波长范围。设计了一种基于InP/In_(1-x)Ga_(x)As_(y)P_(1-y)半导体波导平台的加载条状波导,并研究了基于该波导的有效波长转换。通过完美匹配层边界条件下的频域有限元仿真法分析了该波导最佳结构的TE模有效模式面积、非线性系数、有效模式折射率、波导损耗和波导色散。优化InP/In_(1-x)Ga_(x)As_(y)P_(1-y)加载条状波导的色散,使其满足零相位失配条件,实现了3 dB带宽为35 nm的波长转换,最高转换效率为−26.7 dB。同时,还分析了掺杂系数y、泵浦功率、泵浦波长、波导长度等因素对波长转换中转换带宽和转换效率的影响。InP/In_(1-x)Ga_(x)As_(y)P_(1-y)加载条状波导展现了优良的波长转换性能,可为全光波长转换的实现提供设计参考。 展开更多
关键词 非线性光学 集成光学 InP/In_(1-x)Ga_(x)As_(y)P_(1-y) 波长转换 四波混频
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“X-Y”理论与高校思想政治课“和谐教育”模式 被引量:1
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作者 张万秋 《四川教育学院学报》 2011年第7期12-15,共4页
党的十六届四中全会提出了"和谐社会"的概念,和谐社会的提出赋予了和谐教育新的内涵和使命。现根据目前高校思想政治课存在的问题,从构建社会主义和谐社会的要求出发,运用管理学中的X-Y理论,把和谐社会与"以人为本"... 党的十六届四中全会提出了"和谐社会"的概念,和谐社会的提出赋予了和谐教育新的内涵和使命。现根据目前高校思想政治课存在的问题,从构建社会主义和谐社会的要求出发,运用管理学中的X-Y理论,把和谐社会与"以人为本"的理念运用到高校思想政治课教学中,提出构建"和谐教育"模式及构建模式的原则,使教与学产生"谐振"效应,获得"1+1>2"的整体效应,从而增强高校思想政治课的实效性。 展开更多
关键词 和谐教育 思想政治课 x-y理论
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基于X-Y理论的教师职业幸福感探寻
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作者 蒋冠瑞 《河南科技学院学报(社会科学版)》 2011年第12期38-40,共3页
不同的教师群体在不同的阶段有不同的职业需求,这就要求学校管理者根据教职工在各个阶段的需求,针对不同教师群体的需求特征,采用不同的教师管理方法,最终让教师保持对职业的相对满意度,追寻符合自己发展需求的职业幸福感。
关键词 教师 职业幸福感 x—Y理论
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Resistance fluctuations in superconducting K_(x)Fe_(2-y)Se_(2) single crystals studied by low-frequency noise spectroscopy
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作者 Hai Zi Yuan Yao +5 位作者 Ming-Chong He Di Ke Hong-Xing Zhan Yu-Qing Zhao Hai-Hu Wen Cong Re 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第4期502-507,共6页
Low-frequency resistance noise spectroscopy is applied to investigate bulk single crystals of the intercalated ironselenide K_(x)Fe_(2-y)Se_(2) superconductors with different iron vacancy orders.Based on a generalized... Low-frequency resistance noise spectroscopy is applied to investigate bulk single crystals of the intercalated ironselenide K_(x)Fe_(2-y)Se_(2) superconductors with different iron vacancy orders.Based on a generalized fluctuation model,the well-observed resistance hump above 100 K is interpreted as an insulator-metal phase transition with a characteristic transition energy of 0.1-0.6 eV,indicating a highly inhomogeneous energy distribution configuration.In the superconducting transition regime,we find that the normalized resistance noise scales with resistance R excellently as S_(R)/R^(2)∝R^(l_(rs)) with the noise exponent lrs≈1.4.With reduced iron vacancy disordering in enhanced superconductivity K_(x)Fe_(2-y)Se_(2) crystals,the level of resistance fluctuations is greatly suppressed,suggesting a geometrical phase transition for conduction channel,which is directly related to the microstructure of the crystals. 展开更多
关键词 K_(x)Fe_(2-y)Se_(2) phase separation noise and chaos PERCOLATION
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The Evolution of McGregor’s X and Y Theory in the Contemporary Organizational Settings:A Systematic Literature Review
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作者 Sofia Bakoula Michael Galanakis 《Psychology Research》 2022年第12期946-950,共5页
Motivation and employee behavior have been characterized as strong factors for employee job performance.McGregor’s theory is one of the most recognized and influential theories that perfectly explains the relationshi... Motivation and employee behavior have been characterized as strong factors for employee job performance.McGregor’s theory is one of the most recognized and influential theories that perfectly explains the relationship between those factors and focuses on management and organizational behavior.Specifically,this theory emphasizes that employees are characterized as Type X or Type Y,and motivation is achieved in different ways according to the type.This paper was conducted to address important areas of McGregor’s theory,to discuss how the theory is applied in the workplace,and to elaborate on how recent studies have assembled scientific valid instruments to evaluate X and Y employee behaviors and employee performance.Recommendations for future research and applications will be addressed too. 展开更多
关键词 McGregor’s theory theory x theory Y management MOTIVATION job performance
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X-Y理论下关于保险销售风险防控的探索
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作者 周英 《对外经贸》 2012年第9期58-60,共3页
保险公司销售领域风险是保险公司面对的最重要的经营风险之一,因此,保险销售风险防控是行业面临的一项重要工作。阐述保险公司销售风险的概念和特征,分析当前保险公司销售风险的成因。基于麦格雷戈的X-Y理论,分析了保险营销员的人性特... 保险公司销售领域风险是保险公司面对的最重要的经营风险之一,因此,保险销售风险防控是行业面临的一项重要工作。阐述保险公司销售风险的概念和特征,分析当前保险公司销售风险的成因。基于麦格雷戈的X-Y理论,分析了保险营销员的人性特征及其风险,提出了针对销售风险防控的策略建议。 展开更多
关键词 保险销售风险 x—Y理论 风险防控
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Magnetostriction and Acoustics Properties of Tb_(1-x)Dy_x (Fe_(1-y)Mn_y)_(1.95) Alloys and Their Application to Sonar Transducers
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作者 杜挺 张洪平 朱厚卿 《Journal of Rare Earths》 SCIE EI CAS CSCD 2000年第1期54-56,共3页
The magnetostriction and acoustics properties of Tb1-x xDyx (Fe1-yMny) 1.95 alloys and their application to sonar transducers were studied. The following results were obtained from experiments. When the applied magn... The magnetostriction and acoustics properties of Tb1-x xDyx (Fe1-yMny) 1.95 alloys and their application to sonar transducers were studied. The following results were obtained from experiments. When the applied magnetic field intensity is ≥ 800 kA·m-1, the magnetostrictive coefficients are (1300- 1800)× 10-6. The electromechanical coupling factors are 0.84-0.93, the sound velocities 2168-2856 m·s-1 and the Young's modulus (5.06- 7.26) ×10 N·m-2. A sonar transducer made of the alloy rod, which has a total length of 300 mm and a total weight of 2 kg, is characterized by 2.4 kHz specified resonant frequency, 1 kHz frequency band, 173 kB current response and 45% electroacoustic efficiency. 展开更多
关键词 rare earths Tb_(1-x)Dy_(x) (Fe_(1-y)Mn_(y))_(1.95) MAGNETOSTRICTION acoustics properties sonar transducer
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高职院校计算机网络技术专业教学改革研究--以“1+X”证书制度为例 被引量:5
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作者 徐慧 《工业技术与职业教育》 2023年第1期34-37,共4页
高校实施“1+X”证书制度试点是职业教育向复合型高技能人才培养目标转变的需要,对在世界范围内树立中国职业教育品牌具有深远的意义。“网络信息系统工程建设与运维”作为武汉交通职业学院首批“1+X”证书制度试点证书之一,对于计算机... 高校实施“1+X”证书制度试点是职业教育向复合型高技能人才培养目标转变的需要,对在世界范围内树立中国职业教育品牌具有深远的意义。“网络信息系统工程建设与运维”作为武汉交通职业学院首批“1+X”证书制度试点证书之一,对于计算机网络专业群的人才培养创新具有革命性意义。计算机网络技术专业试点该证书过程中,以书证融通、质量为上为原则,稳步推行,最终达成了专业的教学改革目标。 展开更多
关键词 高职院校 计算机网络技术 “1+x”证书制度 教学改革 书证融通
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First-principles study of structural,electronic,and optical properties of cubic InAs_xN_yP_(1-x-y) triangular quaternary alloys
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作者 I Hattabi A Abdiche +5 位作者 F Soyalp R Moussa R Riane K Hadji S Bin-Omran R Khenata 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第1期425-432,共8页
In this paper, we investigated the structural, electronic and optical properties of InAs, InN and InP binary compounds and their related ternary and quaternary alloys by using the full potential linearized augmented p... In this paper, we investigated the structural, electronic and optical properties of InAs, InN and InP binary compounds and their related ternary and quaternary alloys by using the full potential linearized augmented plane wave(FP-LAPW)method based on density functional theory(DFT). The total energies, the lattice parameters, and the bulk modulus and its first pressure derivative were calculated using different exchange correlation approximations. The local density approach(LDA) and Tran–Blaha modified Becke–Johnson(TB-m BJ) approximations were used to calculate the band structure.Nonlinear variations of the lattice parameters, the bulk modulus and the band gap with compositions x and y are found.Furthermore, the optical properties and the dielectric function, refractive index and loss energy were computed. Our results are in good agreement with the validated experimental and theoretical data found in the literature. 展开更多
关键词 density functional theory full potential linearized augmented plane wave Tran–Blaha modified Becke–Johnson approximations InAsxNyP1-x-y
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The 3x + 1 Conjecture, a Direct Path
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作者 Salvador Bermúdez Gómez 《American Journal of Computational Mathematics》 2023年第2期350-355,共6页
The 3x + 1 problem, is a math problem that has baffled mathematicians for over 50 years. It’s easy to explain: take any positive number, if it’s even, divide it by 2;if it’s odd, multiply it by 3 and add 1. Repeat ... The 3x + 1 problem, is a math problem that has baffled mathematicians for over 50 years. It’s easy to explain: take any positive number, if it’s even, divide it by 2;if it’s odd, multiply it by 3 and add 1. Repeat this process with the resulting number, and the conjecture says that you will eventually reach 1. Despite testing all starting values up to an enormous number, no one has proved the conjecture is true for all possible starting values. The problem’s importance lies in its simplicity and difficulty, inspiring new ideas in mathematics and advancing fields like number theory, dynamical systems, and computer science. Proving or disproving the conjecture would revolutionize our understanding of math. The presence of infinite sequences is a matter of question. To investigate and solve this conjecture, we are utilizing a novel approach involving the fields of number theory and computer science. 展开更多
关键词 3x + 1 Collatz Solved Computer Science Number theory New Algo-rithm
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