A theoretical study of the structures and stabilities of N4O2 isomers

Five N₄O₂ isomers and their possible decomposition pathways were investigated with Møller–Plesset perturbation theory (MP2) and density functional theory (DFT). The most stable isomer is the open-chain C_2v structure, which has not been reported before. For all five N₄O₂ isomers, dissociation energies and eight transition states were studied in the present paper. The open-chain isomer 1 and the planar (C_2h) isomer 3 could be potential candidates for high energy density materials (HEDM) due to their large dissociation energy and moderate dissociation barrier.     

Measurement of surface and boundary charge on NaCℓ

The potential on freshly cleaved surfaces of nominally pure NaC? single crystals has been measured and found to be negative at room temperature, whereas the potential near grain boundaries in bicrystals is found to be positive. The difference is attributed to grain boundary precipitation, a boundary isoelectric point being predicted at higher temperatures.     

Parametrically generated spectra and optical breakdown in H2O and NaC1

Picosecond light pulses of high intensity have shown to generate broad light spectra by parametric four photon interaction. The threshold for plasma formation was investigated in order to assess the contribution to the frequency broadening by free electrons in the breakdown and prebreakdown region. It could be confirmed that our previously observed parametric spectra were not effected by prebreakdown processes.     

Longitudinal,transverse, and torsional vibrations and stabilities of axially moving single-walled carbon nanotubes

Thanks to the brilliant mechanical properties of single-walled carbon nanotubes (SWCNTs), they are suggested as high speed nanoscale vehicles. To date, various aspects of vibrations of SWCNTs have been addressed; however, vibrations and instabilities of moving SWCNTs have not been thoroughly assessed. Herein, vibrational properties of an axially moving SWCNT with simply supported ends are studied using nonlocal Rayleigh beam theory. Employing assumed mode and Galerkin methods, the discrete governing equations pertinent to longitudinal, transverse, and torsional motions of the moving SWCNT are obtained. The resulting eigenvalue equations are then numerically solved. The speeds corresponding to the initiation of the instability within the moving nanostructure are calculated. The roles of the speed of the moving SWCNT, small-scale parameter, and aspect ratio on the characteristics of longitudinal, transverse, and torsional vibrations of axially moving SWCNTs are scrutinized. The obtained results show that the appearance of the small-scale parameter would result in the occurrence of both divergence and flutter instabilities at lower levels of the speed.     

Mechanical properties of carbon nanotubes

A variety of outstanding experimental results on the elucidation of the elastic properties of carbon nanotubes are fast appearing. These are based mainly on the techniques of high-resolution transmission electron microscopy (HRTEM) and atomic force microscopy (AFM) to determine the Young’s moduli of single-wall nanotube bundles and multi-walled nanotubes, prepared by a number of methods. These results are confirming the theoretical predictions that carbon nanotubes have high strength plus extraordinary flexibility and resilience. As well as summarising the most notable achievements of theory and experiment in the last few years, this paper explains the properties of nanotubes in the wider context of materials science and highlights the contribution of our research group in this rapidly expanding field. A deeper understanding of the relationship between the structural order of the nanotubes and their mechanical properties will be necessary for the development of carbon-nanotube-based composites. Our research to date illustrates a qualitative relationship between the Young’s modulus of a nanotube and the amount of disorder in the atomic structure of the walls. Other exciting results indicate that composites will benefit from the exceptional mechanical properties of carbon nanotubes, but that the major outstanding problem of load transfer efficiency must be overcome before suitable engineering materials can be produced. Received: 17 May 1999 / Accepted: 18 May 1999 / Published online: 29 July 1999     

脉冲CO2激光辐照K9玻璃的热力效应分析

利用有限元法对脉冲CO2激光辐照K9玻璃样品中的温度和应力分布进行了数值分析。对半径为20mm、厚为2mm的圆盘样品的计算结果表明,K9玻璃的损伤由环向应力控制,体损伤先于面损伤产生,且光斑半径和脉冲数目对损伤闽值有较大的影响,在激光光斑半径为5mm,脉宽为10肛s的条件下K9玻璃的单脉冲CO2激光的损伤闽值为0．5J,相应的能量密度为0．637 J／cm^2。损伤闽值随光斑半径的增大而增大,随脉冲数目的增加而变小。讨论了样品半径和厚度对损伤结果的影响,结果表明样品半径在10-20mm范围内所产生的拉伸应力较小。     

Mechanical properties of bulk carbon nanomaterials

Bulk carbon nanomaterials, which open prospects for the development of a new generation of supercapacitors, are actively investigated for recent years, but their mechanical properties and structure remain poorly understood. In connection with this fact, the influence of the hydrostatic and uniaxial compression on mechanical properties and structure of three bulk nanomaterials consisting of (i) bent graphene flakes, (ii) short carbon nanotubes, and (iii) fullerenes C₂₄₀ are investigated by the molecular dynamics method. It is shown that the strength of the material and its stability to graphitization depend on its constituent structural units. At large degrees of deformation, the material consisting of bent graphene sheets has the highest strength, whereas at the material density lower than 2.5 g/cm³, the highest strength is observed in the nanomaterial consisting of fullerene molecules. The differences in mechanical properties of the materials under consideration are explained by their structural features.     

Magnetic orientation of carbon nanotubes at temperatures of 231 K and 314 K

Carbon nanotubes were placed in magnetic fields of  80.0 kOe at temperatures of 231 K and 314 K. Scanning electron microscopy showed that nanotubes were oriented with the tube axis parallel to the fields. It was also observed that the probability of the orientation became higher, when the temperature was raised from 231 K to 314 K. The anisotropy in the susceptibilities parallel X∥ and perpendicular X _⊥ to the tube axis is suggested to increase with rise in temperature: X∥ ? X⊥ = (4 ± 2) × 10^?6 emu mol^?1 (per mol of carbon atoms) at 231 K and X∥ ? X⊥ = (45 ± 27) × 10^?6 emu mol^?1 at 314 K.     

Co-transition absorption property of K2ZnCl4:Co2+ crystal

Single-crystal K(2)ZnCl(4) doped with Co2+ has been grown successfully by use of the Czochralski technique. The absorption spectrum of the crystal was measured. The most intense line, centered at 650 nm, was associated with the transition (4)A(2)-->(4)T(1P), and a novel and important result that corporate transition (co-transition) between (4)A(2)-->(4)T(1F) and (4)A(2)-->(4)T(2) of Co2+ in the region of 1300-2400 nm was found and discussed. The mechanism that caused the phenomenon was explained by energy-level splitting theory. In the tetrahedral approximation, using the quantum and Tanaba-Sugano theories, Racah parameter B and crystal field parameter 10Dq were calculated. The optical energy gap, deduced to be 4.82 eV, was lower than that of pure K2ZnCl4.     

Mechanical stability of ferrimagnetic CoFe2O4 flexible thin films

We fabricated high-quality ferrimagnetic CoFe₂O₄ (CFO) thin films on a mica substrate using a pulsed laser deposition technique. High-resolution X-ray diffraction and transmission electron microscopy revealed that the film grew epitaxially with the relationships of CFO <1-10> || Mica [010] and CFO [111] || Mica [001]. The films were highly flexible in terms of both inward and outward bending, and exhibited clear ferrimagnetic hysteresis with weak anisotropy in both the in-plane and out-of-plane directions. We observed that the magnetization of CFO films was robust against mechanical stimuli without microcracks. The remnant magnetization and coercive field were within 8% and 11% over a strain of ±0.54%. As the number of bending cycles increased, the magnetic easy axis became more closely aligned to the out-of-plane direction, without any noticeable change in domain size.     

Mechanical detection of carbon nanotube resonator vibrations

Bending-mode vibrations of carbon nanotube resonators were mechanically detected in air at atmospheric pressure by means of a novel scanning force microscopy method. The fundamental and higher order bending eigenmodes were imaged at up to 3.1 GHz with subnanometer resolution in vibration amplitude. The resonance frequency and the eigenmode shape of multiwall nanotubes are consistent with the elastic beam theory for a doubly clamped beam. For single-wall nanotubes, however, resonance frequencies are significantly shifted, which is attributed to fabrication generating, for example, slack. The effect of slack is studied by pulling down the tube with the tip, which drastically reduces the resonance frequency.     

Formations and morphological stabilities of ultrathin CoSi2 films

In this paper we investigate the formations and morphological stabilities of Co-silicide fihns using 1-8-nm thick Co layers sputter-deposited on silicon （100） substrates. These ultrathin Co-silicide films are formed via solid-state reaction of the deposited Co films with Si substrate at annealing temperatures from 450 ℃ to 850 ℃. For a Co layer with a thickness no larger than i nm, epitaxially aligned CoSi2 films readily grow on silicon （100） substrate and exhibit good morphological stabilities up to 600 ℃. For a Co layer thicker than 1 nm, polycrystalline CoSi and CoSi2 films are observed. The critical thickness below which epitaxially aligned CoSi2 film prevails is smaller than the reported critical thickness of the Ni layer for epitaxial alignment of NiSi2 on silicon （100） substrate. The larger lattice mismatch between the CoSi2 film and the silicon substrate is the root cause for the smaller critical thickness of the Co layer.     

Mechanical model of carbon dioxide vibrational spectrum

Classical dynamics methods have been used to study the nonlinear vibrations of a CO₂ molecule. Consideration includes not only the anharmonicity valence angle, which enables one to explain the Fermi resonance, but also the physical nonlinearity of the force field (stiffness and softness of springs). In the farthest neighbor approximation (with regard to oxygen–oxygen interaction), a set of nonlinear differential equations in the Lagrangian form has been derived. Their analytical solution has been derived using the method of invariant normalization. The occurrence of a strange attractor has been discovered by numerical simulation. Recommendations for the selection of initial conditions are given that take into account the possibility of regular beatings that change into to chaotic beatings.     

On Isotropic Points in K2SO4 Impurity Crystals

Optics and Spectroscopy - The temperature, spectral and baric dependences of birefringence Δni of potassium sulfate crystals doped with 1.7% of copper are studied. It is established that the...     

On the volume dependence of superexchange in K2NiF4

Ultrasonic velocity measurements in the two-dimensional antiferromagnet K₂NiF₄ as a function of temperature at several hydrostatic pressures show T_N to be very weakly pressure dependent. This result differs from previous estimates of the volume dependence of superexchange in similar compounds.     

Far infrared and millimetre dielectric response of incommensurate and ferroelectric K2SeO4

Dielectric response of K₂SeO₄ in the spectral region 5–460cm^–1 was determined using transmissivity and reflectivity measurements as a function of temperature between 80 and 300K. The spectral features above 20cm^–1 are interpreted using results of lattice vibrational analysis in three known commensurate phases. The low-frequency dielectric anomaly in the incommensurate phase can be roughly described by critical slowing-down of a Debye relaxation given rise to by the overdamped infrared active phason mode which softens at the incommensurate-commensurate transition.