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Effective electroelastic constants for three-phase confocal elliptical cylinder model in piezoelectric quasicrystal composites 被引量:6
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作者 Yongbin WANG Junhong GUO 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2018年第6期797-812,共16页
A three-phase confocal elliptical cylinder model is proposed to analyze micromechanics of one-dimensional hexagonal piezoelectric quasicrystal (PQC) compos- ites. Exact solutions of the phonon, phason, and electric ... A three-phase confocal elliptical cylinder model is proposed to analyze micromechanics of one-dimensional hexagonal piezoelectric quasicrystal (PQC) compos- ites. Exact solutions of the phonon, phason, and electric fields are obtained by using the conformal mapping combined with the Laurent expansion technique when the model is subject to far-field anti-plane mechanical and in-plane electric loadings. The effective elec- troelastic constants of several different composites made up of PQC, quasicrystal (QC), and piezoelectric (PE) materials are predicted by the generalized self-consistent method. Numerical examples are conducted to show the effects of the volume fraction and the cross-sectional shape of inclusion (or fiber) on the effective electroelastic constants of these composites. Compared with other micromechanical methods, the generalized self- consistent and Mori-Tanaka methods can predict the effective electroelastic constants of the composites consistently. 展开更多
关键词 piezoelectric quasicrystal (PQC) three-phase elliptical cylinder model effective constant generalized self-consistent method
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带LC输出滤波器的三相两电平逆变器死区补偿策略
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作者 谢峰 骆攀 +4 位作者 刘鎏 王永棋 陈凯旋 赵俊杰 刘源 《微电机》 2026年第3期40-47,共8页
为解决带LC输出滤波器的三相两电平逆变器系统中死区效应导致的性能劣化问题,提出基于恒压频比(V/F)控制与空间矢量脉宽调制(SVPWM)的死区补偿策略。首先建立LC滤波器数学模型,分析其频域特性及参数设计方法,结合SVPWM调制原理,推导死... 为解决带LC输出滤波器的三相两电平逆变器系统中死区效应导致的性能劣化问题,提出基于恒压频比(V/F)控制与空间矢量脉宽调制(SVPWM)的死区补偿策略。首先建立LC滤波器数学模型,分析其频域特性及参数设计方法,结合SVPWM调制原理,推导死区效应对输出电压、电流的影响机制,通过检测三相电流极性,基于伏秒平衡原则计算补偿电压值,实现死区时间内的脉冲宽度修正。利用Simulink对7.5 kW感应电机在20 Hz、30 Hz轻载/空载工况下进行仿真验证,结果表明,补偿后定子电流总谐波失真(THD)显著降低,20Hz空载时THD从84.6%降至3.96%,转矩脉动明显减小,基波含量提升,系统波形质量与运行稳定性得到有效改善。 展开更多
关键词 三相两电平逆变器 LC输出滤波器 死区效应 恒压频比(V/F)控制
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考虑恐惧效应和人为捕获或投放的食饵-捕食者模型
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作者 张明辉 马纪英 徐沈龙 《上海理工大学学报》 北大核心 2026年第1期98-108,共11页
研究了一类具有常数捕获(投放)率的食饵-捕食者模型,并考虑食饵种群的恐惧效应对系统动力学行为的影响。首先,分析了系统的平衡点及其稳定性,验证了边界平衡点在一定条件下会退化为鞍结点。其次,通过对系统做相应变换,应用正规型理论严... 研究了一类具有常数捕获(投放)率的食饵-捕食者模型,并考虑食饵种群的恐惧效应对系统动力学行为的影响。首先,分析了系统的平衡点及其稳定性,验证了边界平衡点在一定条件下会退化为鞍结点。其次,通过对系统做相应变换,应用正规型理论严格证明系统在一定条件下会发生鞍结点分支、Hopf分支和退化Hopf分支。研究结果表明,该系统在某些参数条件下恰好有两个极限环,其中外部的极限环是稳定的。最后,借助MATLAB软件,绘制系统对应不同参数取值的相图。数值模拟显示,恐惧程度过低会导致种群灭亡,即食饵种群适度的恐惧效应有利于两种群的共存。 展开更多
关键词 食饵-捕食者模型 恐惧效应 常数捕获(投放)率 HOPF分支 相图
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三相大功率无线电能传输系统设计与仿真
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作者 徐喜红 周冀龙 +2 位作者 王天喜 张嘉欣 邵帅 《机电工程技术》 2026年第2期155-160,共6页
针对三相无线电能传输(WPT)系统在负载变化时输出功率不稳定的问题,提出了一种PI闭环控制策略。建立三相S-S补偿拓扑系统的数学模型,推导输出功率与传输效率的解析表达式,并分析等效互感、工作频率、输入电压及负载阻抗等关键参数对系... 针对三相无线电能传输(WPT)系统在负载变化时输出功率不稳定的问题,提出了一种PI闭环控制策略。建立三相S-S补偿拓扑系统的数学模型,推导输出功率与传输效率的解析表达式,并分析等效互感、工作频率、输入电压及负载阻抗等关键参数对系统输出特性的影响,发现系统在开环时输出功率随负载电阻增大而增加,无法实现恒功率。在此基础上,设计以PI控制器为核心、PWM调制为执行手段的闭环控制系统;通过工程试凑法整定控制器参数,实现了对三相逆变器输入电压的动态调节。为验证所提策略的有效性,在Simulink平台搭建了20 kW系统仿真模型。仿真结果表明:在负载电阻13~33Ω宽范围变化时,该系统能够维持20 kW的稳定功率输出,稳态功率波动小于1%,调节时间小于2 ms,且超调量极小,表现出良好的动态响应特性与抗负载扰动能力,有效解决了三相WPT系统在负载波动下的功率稳定问题。 展开更多
关键词 无线电能传输 三相 PI控制 恒功率控制
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Rate Constants for the Reactions of NO_3~.and SO_4^(._) Radicals with Oxalic Acid and Oxalate Anions in Aqueous Solution 被引量:1
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作者 XiKunYANG JiaQiangWANG TieDangWANG 《Chinese Chemical Letters》 SCIE CAS CSCD 2004年第5期583-586,共4页
Rate constants for the reactions of NO3 and SO4 radicals with oxalic acid and oxalate anions in aqueous solution have been measured using pulse radiolysis and laser flash photolysis.
关键词 NO3 SO4 OXALATES aqueous phase rate constants.
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移相控制下SS拓扑的无线电能的恒压恒流输出
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作者 乔一鸣 《电工技术》 2026年第3期61-62,66,共3页
磁耦合谐振式无线电能传输系统基于磁场耦合机理实现非接触电能传输。针对SS补偿型MCR-WPT系统建立等效电路模型,通过理论建模揭示了系统输出特性与谐振参数间的定量映射关系。基于数值仿真分析,研究了等效串联电阻(ESR)对输出电流及传... 磁耦合谐振式无线电能传输系统基于磁场耦合机理实现非接触电能传输。针对SS补偿型MCR-WPT系统建立等效电路模型,通过理论建模揭示了系统输出特性与谐振参数间的定量映射关系。基于数值仿真分析,研究了等效串联电阻(ESR)对输出电流及传输效率的动态影响规律,发现负载扰动下ESR参数会引发输出特性失稳现象。为突破该技术瓶颈,提出一种基于移相控制的动态调节方法,构建包含前馈补偿的闭环控制架构,在SS拓扑中实现恒流与恒压输出模式的可重构控制。 展开更多
关键词 移相控制 无线电能传输 SS补偿 恒流恒压
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发电厂10 kV系统中性点接地方式选择及故障处理技术
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作者 张慧康 徐华丽 +1 位作者 汤森垲 王明 《电力系统装备》 2026年第2期98-100,共3页
10 kV系统的运行稳定性影响着发电机组安全输出和电网供电可靠性。中性点接地方式是10 kV系统设计的关键环节,决定着系统在故障工况下的电流分布、保护动作特性、设备耐受能力。文章分析不同中性点接地方式的技术特点和适用场景,重点研... 10 kV系统的运行稳定性影响着发电机组安全输出和电网供电可靠性。中性点接地方式是10 kV系统设计的关键环节,决定着系统在故障工况下的电流分布、保护动作特性、设备耐受能力。文章分析不同中性点接地方式的技术特点和适用场景,重点研究接地方式选择对故障响应的影响,并提出具体的故障处理技术措施,为发电厂10 kV系统的优化设计及安全维护提供依据。 展开更多
关键词 发电厂10kV系统 中性点接地方式 单相接地故障 故障处理 保护定值
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Electromechanical-induced antiferroelectric-ferroelectric phase transition in PbLa(Zr,Sn,Ti)O_3 ceramic 被引量:2
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作者 张崇辉 徐卓 +2 位作者 高俊杰 朱长军 姚熹 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第9期430-434,共5页
Antiferroelectric ferroelectric (AFE-FE) phase transition in ceramic Pbo.97Lao.02(Zro.75Snon36Tion14)O3 (PLZST) was studied by dielectric spectroscopy as functions of frequency (102-105 Hz) and pressure (0-50... Antiferroelectric ferroelectric (AFE-FE) phase transition in ceramic Pbo.97Lao.02(Zro.75Snon36Tion14)O3 (PLZST) was studied by dielectric spectroscopy as functions of frequency (102-105 Hz) and pressure (0-500 MPa) under a DC electric field. The hydrostatic pressure-dependent remnant polarization and dielectric constant were mea- sured. The results show that remnant polarization of the metastable rhombohedral ferroelectric PLZST poled ceramic decreases sharply and depoles completely at phase transition under hydrostatic pressure. The dielectric constant um dergoes an abrupt jump twice during a load and unload cycle under an electric field. The two abrupt jumps correspond to two phase transitions, FE AFE and AFE-FE. 展开更多
关键词 antiferroelectric ceramic dielectric constant hydrostatic pressure phase transition
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Chlorine-radical Induced Oxidation of Glyoxal and Glyoxal-S(IV) Adducts in the Aqueous Phase
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作者 YingLI YunTANG JiaQiangWANG 《Chinese Chemical Letters》 SCIE CAS CSCD 2005年第1期119-122,共4页
A laser flash photolysis study of the reactivity of Cl˙with glyoxal, glyoxal mono- and dibisulfite adducts, 1-hydroxy-2, 2-diol-ethanesulfonate and 1, 2-dihydroxy-1, 2-ethanedi sulfonate in the aqueous phase was ca... A laser flash photolysis study of the reactivity of Cl˙with glyoxal, glyoxal mono- and dibisulfite adducts, 1-hydroxy-2, 2-diol-ethanesulfonate and 1, 2-dihydroxy-1, 2-ethanedi sulfonate in the aqueous phase was carried out. The obtained rate constants can be used for atmospheric modeling. 展开更多
关键词 Chlorine-radical GLYOXAL glyoxal mono- and dibisulfite adducts aqueous phase rate constants.
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Phase Transition Characters and Thermodynamics Modeling of the Newly-Discovered wⅡ- and Post-Spinel Si_3N_4 Polymorphs: A First-Principles Investigation
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作者 Benhai YU Dong CHEN 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2013年第2期131-136,共6页
The equilibrium lattice constants, elastic constants and elastic moduli of wll- and post-spinel Si3Na have been investigated in the pressure ranges of 0-40 GPa and 160-240 GPa, respectively. These two phases are found... The equilibrium lattice constants, elastic constants and elastic moduli of wll- and post-spinel Si3Na have been investigated in the pressure ranges of 0-40 GPa and 160-240 GPa, respectively. These two phases are found to be dynamically stable. The post-spinel phase is one of the strongest materials yet investigated under extreme compressions. Some fundamental properties and phase transition characters are evaluated from the quasi-harmonic approximation. The transition pressures from the γ phase to the post-spinel phase are 152.5 GPa (at 300 K) and 181.8 GPa (at 1500 K). The phase transition pressures of theβ→wll and γ→postspinel transitions increase with the rise of temperature; hence, at higher temperature it requires higher pressure to synthesize post-spinel Si3Na. The heat capacity, thermal expansion and bulk modulus of the new phases are computed as functions of pressure and temperature. The heat capacity of post-spinel Si3Na is large at high temperature and only weakly pressure dependent. 展开更多
关键词 FIRST-PRINCIPLES NITRIDE Elastic constant phase transition
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Ni-Ga BINARY PHASE RELATIONS AT 700℃
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作者 Wang Cong, Qiao Zhiyu, Xing Xianran and Xie Yun’anDepartment of Physical Chemistry, University of Science and Technology Beijing,Beijing 100083, P. R. China 《中国有色金属学会会刊:英文版》 CSCD 1998年第1期127-132,共6页
NiGaBINARYPHASERELATIONSAT700℃①WangCong,QiaoZhiyu,XingXianranandXieYun’anDepartmentofPhysicalChemistry,Unive... NiGaBINARYPHASERELATIONSAT700℃①WangCong,QiaoZhiyu,XingXianranandXieYun’anDepartmentofPhysicalChemistry,UniversityofSciencean... 展开更多
关键词 Ni-Ga BINARY phase relation lattice constant INTERMETALLIC compound
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Effect of external stress on phase diagrams and dielectric properties of epitaxial ferroelectric thin films grown on orthorhombic substrates
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作者 吕业刚 邓水凤 +1 位作者 龚伦军 杨建桃 《中国有色金属学会会刊:英文版》 EI CSCD 2006年第4期912-916,共5页
A Landau-Ginsburg-Devonshire(LD)-type thermodynamic theory was used to describe the effect of external stress on phase diagrams and dielectric properties of epitaxial ferroelectric thin films grown on orthorhombic sub... A Landau-Ginsburg-Devonshire(LD)-type thermodynamic theory was used to describe the effect of external stress on phase diagrams and dielectric properties of epitaxial ferroelectric thin films grown on orthorhombic substrates which induce nonequally biaxial misfit strains in the films plane. The “misfit strain-external stress” and “external stress-temperature” phase diagrams were constructed for single-domain BaTiO3(BT) and PbTiO3(PT) thin films. It is shown that the external stress may lead to the rotation of the spontaneous polarization and a gradual change of its magnitude, which may result in phase transition. Nonequally biaxial misfit strains dependence of the stability of polarization states may be governed by external stress. At room temperature, stress-induced ferroelectric/paraelectric phase transition which occurs in film on cubic substrate does not take place in the ferroelectric thin film grown on orthorhombic substrate. It is also shown that the nonequally misfit strains in the film plane may lead to the appearance of new phases which do not form in films grown on cubic substrates under external stress. The dependence of the dielectric response on the external stress is also studied. It is shown that the dielectric constants of single-domain PT and BT films are very sensitive to the external stress under the given anisotropic misfit strains-temperature conditions. It presents theoretical evidence that the external stress and anisotropic misfit strains can be employed for improving the thin films physical properties. 展开更多
关键词 外应力 相变 介电常数 正交基层 相图
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Determination of the Structural Constant of the Atom
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作者 Milan Perkovac 《Journal of Applied Mathematics and Physics》 2014年第3期11-21,共11页
The equations for energy, momentum, frequency, wavelength and also Schr?dinger equation of the electromagnetic wave in the atom are derived using the model of atom by analogy with the transmission line. The action con... The equations for energy, momentum, frequency, wavelength and also Schr?dinger equation of the electromagnetic wave in the atom are derived using the model of atom by analogy with the transmission line. The action constant A0 = (μ0/ε0)1/2s02e2 is a key term in the above mentioned equations. Besides the other well-known quantities, the only one unknown quantity in the last expression is a structural constant s0. Therefore, this article is dedicated to the calculation of the structural constant of the atoms on the basis of the above mentioned model. The structural constant of the atoms s0 = 8.277 56 shows up as a link between macroscopic and atomic world. After calculating this constant we get the theory of atoms based on Maxwell’s and Lorentz equations only. This theory does not require Planck constant h, which once was introduced empirically. Replacement for h is the action constant A0, which is here theoretically derived, while the replacement for fine structure constant α is 1/(2s02). In this way, the structural constant s0 replaces both constants, h and α. This paper also defines the stationary states of atoms and shows that the maximal atomic number is equal to 2s02 = 137.036, i.e., as integer should be Zmax=137. The presented model of the atoms covers three of the four fundamental interactions, namely the electromagnetic, weak and strong interactions. 展开更多
关键词 Action constant Fine Structure constant Lecher’s LINE phase Velocity Planck’s constant Stability of ATOMS STATIONARY States STRUCTURAL Coefficient STRUCTURAL constant Transmission LINE
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Vapor-liquid Phase Equilibria for CO_2+Tertpentanol Binary System at Elevated Pressures
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作者 WANG Lin LUO Jian-cheng +1 位作者 YANG Hao CHEN Kai-xun 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2011年第4期678-682,共5页
Vapor-liquid phase equilibrium data of tertpentanol in carbon dioxide were measured at temperatures of 313.4, 323.4, 333.5 and 343.5 K and in the pressure range of 4.56--11.44 MPa. The phase equilibium apparatus used ... Vapor-liquid phase equilibrium data of tertpentanol in carbon dioxide were measured at temperatures of 313.4, 323.4, 333.5 and 343.5 K and in the pressure range of 4.56--11.44 MPa. The phase equilibium apparatus used in the work was a variable-volume high-pressure cell. The experimental data were reasonably correlated with Peng-Robinson equation of state(PR-EOS) together with van der Waals-2 two-parameter mixing rules. Henry's Law constants and partial molar volumes of CO2 at infinite dilution were estimated with Krichevsky-Kasarnovsky equa- tion, and Henry's Law constants increase with increasing temperature, however, partial molar volumes of CO2 at infinite dilution are negative whose magnitudes decrease with temperature. Partial molar volumes of CO2 and tertpentanol in liquid phase at equilibrium were calculated. 展开更多
关键词 Carbon dioxide Tertpentanol phase equilibrium Henry's Law constant Partial molar volume
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Density Functional Study of Mechanical, Electronic and Pressure Induced Phase Transition Properties of CaFé2As2
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作者 Mochama Victor Samuel Calford Odhiambo Otieno Phillip Nyawere 《Open Journal of Microphysics》 2023年第3期36-51,共16页
We report results on the ab initio study of the mechanical and electronic properties of the iron Pnictide compound CaFe<sub>2</sub>As<sub>2</sub> and its phase transition under pressure using Q... We report results on the ab initio study of the mechanical and electronic properties of the iron Pnictide compound CaFe<sub>2</sub>As<sub>2</sub> and its phase transition under pressure using Quantum Espresso code. We do analysis of the strength of bonds in individual points of this material and proper Cauchy pressure calculation which will give more insight on the elastic responses. Ground state energy was done in the framework of density functional theory (DFT) based on plane wave self-consistent field (PWscf) and ultrasoft pseudo potential (USPP) method as treated in the Perdew-Burke Ernzerhof (PBE) generalized gradient approximation and local density approximations. Elastic constants were computed using thermo_pw and the values were used to calculate mechanical properties and pressure phase changes. From the non-zero positive elastic constants, the Iron Pnictide compound is found to be mechanically stable and its Poisson’s ratio indicates that it is brittle and isotropic. Pressure induced phase transition is here found to happen at an applied external pressure of 0.2 GPa causing the tetragonal phase to change to an orthorhombic phase which agrees well with previous reports. 展开更多
关键词 phase Transition Elastic constants MODULUS
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Density Functional Study of Mechanical, Electronic and Pressure Induced Phase Transition Properties of CaFé2As2
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作者 Mochama Victor Samuel Calford Odhiambo Otieno Phillip Nyawere 《Natural Resources》 2023年第3期36-51,共16页
We report results on the ab initio study of the mechanical and electronic properties of the iron Pnictide compound CaFe<sub>2</sub>As<sub>2</sub> and its phase transition under pressure using Q... We report results on the ab initio study of the mechanical and electronic properties of the iron Pnictide compound CaFe<sub>2</sub>As<sub>2</sub> and its phase transition under pressure using Quantum Espresso code. We do analysis of the strength of bonds in individual points of this material and proper Cauchy pressure calculation which will give more insight on the elastic responses. Ground state energy was done in the framework of density functional theory (DFT) based on plane wave self-consistent field (PWscf) and ultrasoft pseudo potential (USPP) method as treated in the Perdew-Burke Ernzerhof (PBE) generalized gradient approximation and local density approximations. Elastic constants were computed using thermo_pw and the values were used to calculate mechanical properties and pressure phase changes. From the non-zero positive elastic constants, the Iron Pnictide compound is found to be mechanically stable and its Poisson’s ratio indicates that it is brittle and isotropic. Pressure induced phase transition is here found to happen at an applied external pressure of 0.2 GPa causing the tetragonal phase to change to an orthorhombic phase which agrees well with previous reports. 展开更多
关键词 phase Transition Elastic constants MODULUS
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PWM、S-PAM及PHASE电压联动控制技术在变频空调上的应用 被引量:1
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作者 刘聚科 程永甫 《电器》 2012年第S1期277-284,共8页
目前,变频空调采用高效永磁同步(大发电常数Ke)压缩机已成趋势,且用于农村的低压地区。根据PWM、S-PAM以及PHASE电压联动控制技术,可使高效永磁同步(Ke值大)压缩机运行到更高的频率且损耗降低;在低压地区,使空调正常运行并保证输出足够... 目前,变频空调采用高效永磁同步(大发电常数Ke)压缩机已成趋势,且用于农村的低压地区。根据PWM、S-PAM以及PHASE电压联动控制技术,可使高效永磁同步(Ke值大)压缩机运行到更高的频率且损耗降低;在低压地区,使空调正常运行并保证输出足够的制冷制热能力;在同频率下,比以往的变频压缩机的电流更低,功耗小,更节能。此技术大幅的提高了变频机的运行效率以及降低了压缩机的功率,实现了高效节能的效果,是变频控制技术的节能效果又一次提升,是一种最合适的直流变频压缩机控制技术。 展开更多
关键词 变频 节能 PWM S-PAM phase 联动控制 低压 大发电常数KE 永磁同步压缩机
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A UNIVERSAL ANALYTIC POTENTIAL-ENERGY FUNCTION BASED ON A PHASE FACTOR 被引量:11
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作者 CFYu KYan DZLiu 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2006年第6期455-468,共14页
Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are o... Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values. 展开更多
关键词 universal potential energy function field equation phase factor derivative renormalization linear thermal expansion coefficient Young's modulus force constant
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Phase Equilibria and Electrical Properties of Nd_2 O_3-Sr O-Ti-O_2 System
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作者 田曙坚 郑超 +1 位作者 杨华铨 郑朝贵 《Rare Metals》 SCIE EI CAS CSCD 1999年第3期189-194,共6页
The subsolidus of Nd 2O 3 SrO TiO 2 system were determined at 1200℃. Two ternary compounds, SrO·Nd 2O 3·3TiO 2 and SrO·Nd 2O 3·4TiO 2, were confirmed in the ternary system. The latter e... The subsolidus of Nd 2O 3 SrO TiO 2 system were determined at 1200℃. Two ternary compounds, SrO·Nd 2O 3·3TiO 2 and SrO·Nd 2O 3·4TiO 2, were confirmed in the ternary system. The latter exists over a solid solution area. Discrepancies among the various stoichiometric compounds claimed in literature in the binary system Nd 2O 3 SrO were explained. Only one compound, Sr 3Nd 4O 9, was confirmed at 1200℃. Its structure belongs to orthorhombic with a =1.221 nm, b =1.016 nm, c =0.7138 nm, Z =3 and unit cell volume 0.8852 nm 3. The electrical conductivity and dielectric constants of some phases have been measured. All phases measured are poor semiconductor. 展开更多
关键词 phase equilibria Nd 2O 3 SrO TiO 2 system Dielectric constants
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A Critical Study of the Elastic Properties and Stability of Heusler Compounds: Phase Change and Tetragonal <i>X<sub>2</sub>YZ</i>Compounds
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作者 Shuchun Wu S. Shahab Naghavi +1 位作者 Gerhard H. Fecher Claudia Felser 《Journal of Modern Physics》 2018年第4期775-805,共31页
In the present work, the elastic constants and derived properties of tetragonal Heusler compounds were calculated using the high accuracy of the full-potential linearized augmented plane wave (FPLAPW) method. To find ... In the present work, the elastic constants and derived properties of tetragonal Heusler compounds were calculated using the high accuracy of the full-potential linearized augmented plane wave (FPLAPW) method. To find the criteria required for an accurate calculation, the consequences of increasing the numbers of k-points and plane waves on the convergence of the calculated elastic constants were explored. Once accurate elastic constants were calculated, elastic anisotropies, sound velocities, Debye temperatures, malleability, and other measurable physical properties were determined for the studied systems. The elastic properties suggested metallic bonding with intermediate malleability, between brittle and ductile, for the studied Heusler compounds. To address the effect of off-stoichiometry on the mechanical properties, the virtual crystal approximation (VCA) was used to calculate the elastic constants. The results indicated that an extreme correlation exists between the anisotropy ratio and the stoichiometry of the Heusler compounds, especially in the case of Ni2MnGa. Metastable cubic Ni2MnGa exhibits a very high anisotropy (≈28) and hypothetical cubic Rh2FeSn violates the Born-Huang stability criteria in the L21 structure. The bulk moduli of the investigated tetragonal compounds do not vary much (&asymp;130 ...190 GPa). The averaged values of the other elastic moduli are also rather similar, however, rather large differences are found for the elastic anisotropies of the compounds. These are reflected in very different spatial distributions of Young’s moduli when comparing the different compounds. The slowness surfaces of the compounds also differ considerably even though the average sound velocities are in the same order of magnitude (3.2 ... 3.6 km/s). The results demonstrate the importance of the elastic properties not only for purely tetragonal Heusler compounds but also for phase change materials that exhibit magnetic shape memory or magnetocaloric effects. 展开更多
关键词 ELASTIC constants ELASTIC STABILITY Tetragonal Heusler COMPOUNDS Cubic Instability phase Transition
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