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1.
Kretova  M. A.  Konchakov  R. A.  Kobelev  N. P.  Khonik  V. A. 《JETP Letters》2020,111(12):679-684
JETP Letters - The characteristics of interstitial atoms and vacancies in the Fe20Ni20Cr20Co20Cu20 high-entropy alloy have been determined by the molecular dynamics and statics methods. The effect...  相似文献   

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Konchakov  R. A.  Makarov  A. S.  Aronin  A. S.  Kobelev  N. P.  Khonik  V. A. 《JETP Letters》2022,115(5):280-285
JETP Letters - Molecular dynamics simulation has shown that anisotropic local atomic configurations, which are in essence elastic dipoles, exist in noncrystalline structures of Al and FeNiCrCoCu....  相似文献   

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The HeI photoelectron spectra of Ga2O, In2O, and Tl2O, as well as atomic In, have been obtained. Some spectral features of the recently published photoelectron spectrum of Al2O differ noticeably from the heavier suboxides. The assignment of spectral features is supported by fully relativistic DVM SSC Xα calculations, which have been extended to include Al2O. Best agreement is obtained between calculation and experiment for linear Al2O, but for bent heavier metal suboxides. In general, the spectral features are indicative of ionic bonding, analogous to the behavior of group IIIB monohalides. Along the sequence Al2O:Ga2O:In2O:Tl2O, the highest occupied orbital becomes less and less localized on the metal atoms, with a rather dramatic decrease in metal character occurring at Tl2O. The latter effect is attributable to a change in relative energies of the charge-adjusted metal and oxygen atomic orbitais and relativistic effects., A decrease in the relative ionization cross-section for molecular orbitais which have a large metal ns contribution is correlated with a similar behavior of the relative (ns)−1cross-section for the corresponding atoms.  相似文献   

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The magnetic cooling utilizing magneto-caloric effect is recognized as promising energy efficiency and environmentally friendly technology.Here we report a systematical study on the microstructures,magnetic properties and cryogenic magneto-caloric performances of the Gd20Ho20Tm20Cu20Ni20 amorphous ribbons.It is found that the ribbons reveal a second-order phase transition and are accompanied by a table-shaped magneto-caloric effect.The calculated magneticentropy-change maximum |ΔSM|,temperature averaged entropy change(i.e.,TEC(10)),and refrigerant capacity reach 13.9 J/kg·K,13.84 J/kg-K and 740 J/kg with magnetic field change of 0-7 T,respectively,indicating that the present Gd20Ho20Tm20Cu20Ni20 amorphous ribbons are good candidates for magnetic cooling.  相似文献   

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L. Sun  Y. Chang  S. Tang  Z. Wang 《Molecular physics》2013,111(23-24):2945-2949
Geometries, relative energies, and stabilities of endo- and exohedral complexes, X@Si20H20 and XSi20H20, (X = H+, H, N, P, C?, and Si?) are calculated at B3LYP/6-31G* level. The energy minimum structure of Si20H21 + shows that the proton cannot be positioned in the Si20H20 centre, but prefers attach to Si20H20 exohedrally with C2v symmetry. Most investigated Ih endohedral complexes X@Si20H20 (X = H, N, P, C?, and Si?) are local minima, except for 2N@Si20H20, which is a high-order saddle point. Inclusions energies of the endohedral complexes are calculated, and it reveals that energy penalties caused by encapsulation are rather small. Exohedral complexes XSi20H20 (X = H, N, P, C?, and Si?) have C2v or Cs local minima, and most of them are more stable than their endohedral isomers with the exception of C2v 4PSi20H20 and 4Si?Si20H20.  相似文献   

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Physics of the Solid State - The results of computer simulation of a new one-dimensional carbon structure representing chains composed of C20 carbinofullerenes are presented. Their binding energies...  相似文献   

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The optical absorption down to 20 K of thin films of Cs-halides are reported in the energy range from 12 to 20 eV. The multiple structure in the optical spectra of CsI at low temperature can be explained by the excitons associated with the s-like and d-like conduction band states at the Г point. Spectra of CsBr and CsC1 can be understood by analogy with CsI.  相似文献   

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程霞  杨传路  童小菲  王美山  马晓光 《物理学报》2011,60(1):17302-017302
利用第一性原理密度泛函理论和非平衡格林函数方法研究了Na@C20H20分子的电子输运性质. 计算结果显示它的I-V曲线在偏圧 V范围内表现出了较好的线性特性, 出现了明显的负微分电阻现象, 并得到其平衡电导为0.0101G0. 通过与Li@C20H20分子对比分析, 发现掺杂Na不仅能提高C20H20分子的电子输运能力, 而且 关键词: 20H20分子')" href="#">Na@C20H20分子 电子输运 负微分电阻  相似文献   

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设计了一种基于功率金属氧化物半导体场效应晶体管(MOSFET)为开关的高压脉冲电源。采用自匹配传输线结构线路形式,串联多个以光纤信号隔离触发的MOSFET作为高耐压开关,在传输线的外皮产生2个纳秒脉冲,再用传输线变压器对2个纳秒脉冲进行功率合成,在200 Ω负载上输出了幅度20 kV,重复频率20 kHz,脉冲宽度约40 ns的脉冲。分析脉冲源装置结构,对实验装置建立仿真模型,阐述了输出波形畸变的原因,给出了影响输出脉冲波形特性的因素,为下一步优化波形工作提供了理论参考。  相似文献   

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An angle dependent analysis of the planar Hall effect (PHE) in nanocrystalline single-domain Co(60)Fe(20)B(20) thin films is reported. In a combined experimental and theoretical study we show that the transverse resistivity of the PHE is entirely driven by anisotropic magnetoresistance (AMR). Our results for Co(60)Fe(20)B(20) obtained from first principles theory in conjunction with a Boltzmann transport model take into account the nanocrystallinity and the presence of 20 at.?% boron. The ab initio AMR ratio of 0.12% agrees well with the experimental value of 0.22%. Furthermore, we experimentally demonstrate that the anomalous Hall effect contributes negligibly in the present case.  相似文献   

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Untruncated shell model calculations in the 1s-0d shell using Chung-Wildenthal effective interactions have been performed for 20Ne and the electron scattering form factors for elastic scattering and for the excitation of 21+, 21+ and 23+ states have been examined. Saxon-Woods wave functions and a phase-shift analysis have been used. It is shown that within the limited space of the 1s-0d shell, it is possible to obtain vastly different momentum transfer dependence for the electro-excitation of ΔJπ = 2+ transitions. The 21+ and 22+ states are seen to be adequately described by the wave functions obtained in this calculation, but 23+ is not described well.  相似文献   

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Chronicle

20th International Spectroscopy Colloquium  相似文献   

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