On the surface properties of a nanodiamond

The dependences of the specific surface energy, the surface tension, and the surface pressure on the size, the surface shape, and the temperature of a nanodiamond with a free surface have been investigated using the Mie-Lennard-Jones interatomic interaction potential. The nanocrystal has the form of a parallelepiped faceted by the (100) planes with a square base. The number of atoms N in the nanocrystal varies from 5 to ∞. The isothermal isomorphic dependences of the specific surface energy, its isochoric derivative with respect to the temperature, the surface tension, and the surface pressure on the nanodiamond size have been calculated at temperatures ranging from 20 to 4300 K. According to the results of the calculations, the surface energy under this conditions is positive, which indicates that the nanodiamond cannot be fragmented at temperatures up to 4300 K. The surface pressure for the nanodiamond P _sf (N) ∼ N ^−1/3 is considerably less than the Laplace pressure P _ls (N)^−1/3 ∼ N ^−1/3 for the same nanocrystal at the given values of the temperature, the density, and the number of atoms N. As the temperature increases from 20 to 4300 K, the lowering of the isotherm P _sf (N) is considerably more pronounced than that of the isotherm P _ls (N). At high temperatures, the isotherm P _sf (N) changes the shape of the size dependence and goes to the range of extension of small nanocrystals. It has been demonstrated that the lattice parameter of the nanodiamond can either decrease or increase with a decrease in the nanocrystal size. The most significant change in the lattice parameter of the nanodiamond is observed at temperatures below 1000 K.     

Currently available methods of industrial nanodiamond synthesis

The main theoretical aspects of detonation decomposition of powerful mixed explosives with a negative oxygen balance accompanied by the formation of nanodiamonds (ultrafine-dispersed diamonds, UDDs) are described. The basic UDD synthesis parameters are considered, and the expediency of using trotyl-hexogen alloys is shown. The conditions of diamond phase conservation in the detonation products are specified. Various versions of industrial detonation synthesis of UDDs are considered. The most efficient technology of chemical cleaning of UDDs (with nitric acid at high temperatures and pressures) for producing UDDs with the highest purity is described.

     

On the lubrication mechanism of detonation-synthesis nanodiamond additives in lubricant composites

The lubrication of detonation-synthesis diamond additives in lubricant composites has been discussed. The mechanism of interaction between nanodiamonds and friction surface has been shown to depend on the applied load. Two models of the lubrication of nanodiamonds and the conditions for their validity have also been proposed.     

希格斯玻色子发现简史

希格斯玻色子于2012年的发现是粒子物理发展史上的一座里程碑。它为标准模型补上了最后一块拼图,希格斯机制的提出者们也因此获得了2013年的诺贝尔物理学奖。在希格斯玻色子发现十周年之际,文章将带领读者简短回顾希格斯玻色子从提出到发现的近半个世纪的历史。     

迟来的原子核裂变

与其他的物理发现不同,裂变的发现完全是出人意料的。当哈恩和斯特拉斯曼发现铀元素被中子轰击后会导致钡元素的出现时,他们是如此震惊,以至于在宣布这一发现的论文中写道：“我们还没有准备好迈出如此巨大的一步,它与所有已知的核物理实验相背离”。哈恩和斯特拉斯曼的发现刚好发生在二战爆发前9 个月,一个历史命运的关键时刻。六年后,恰恰是这一来自纳粹德国的发现直接导致了核武器的诞生,从而终结了这场战争。裂变对于世界历史进程蕴含的影响是如此巨大。对于裂变的发现,长达四年的迟误确实显得非同寻常。     

On the discovery of Birkhoff's theorem

Birkhoff showed in 1923 that the Schwarzschild solution for the metric from a point particle was also valid in the a priori non-static case as long as the spherical symmetry was maintained. This theorem was actually discovered and published two years earlier by an unknown Norwegian physicist, J.T. Jebsen. His life and scientific career is briefly chronicled.     

On the industrial applications of MCRs: molecular diversity in drug discovery and generic drug synthesis

During the last decades, multicomponent chemistry has gained much attention in pharmaceutical research, especially in the context of lead finding and optimization. Here, in particular, the main advantages of multicomponent reactions (MCRs) like ease of automation and high diversity generation were utilized. In consequence of these beneficial properties, a plethora of new MCRs combined with appropriate classical reaction sequences have been published, the accessible chemical space was extended steadily. In the meantime, the desired high diversity became a challenge itself, because by now the systematic use of this huge and unmanageable space for drug discovery was limited by the lack of suitable computational tools. Therefore, this article provides an insight for the rational use of this enormous chemical space in drug discovery and generic drug synthesis. In this context, a short overview of the applied chemo informatics, necessary for the virtual screening of the biggest available chemical space, is given. Furthermore, some examples for recently developed multicomponent sequences are presented.     

On the discovery of the Greisen-Zatzepin-Kuzmin cut-off

The recent claim of the ‘5 sigma’ observation of the Greisen-Zatzepin-Kuzmin cut-off by the HiRes group based on their nine years data is a significant step towards the eventual solution of one of the most intriguing questions in physics for more than 40 years. Recent results from Pierre Auger Observatory seem to confirm the statement. However, the word ‘significance’ is used in the mentioned paper in a sense which is not quite obvious. In the present paper we argue that this claim is a little premature.     

Optical properties of nanodiamond suspensions

The optical properties of nanodiamond suspensions have been calculated. The main supposition is that carbon dimers, which in many aspects are analogous to Pandey chains (2 × 1) on the surface of bulk diamond, are formed on the surface of nanodiamonds due to the surface reconstruction. All experimentally observed features of the absorption of nanodiamond suspensions have been explained on the basis of these ideas. Whereas the diamond nucleus does not absorb light in the visible spectral range, dimers on the surface of the diamond core absorb light in the entire range of optical wavelengths. In addition, there are two features at energies close to 1.5 and 5 eV in their absorption spectrum.     

Microwaves in drug discovery and multi-step synthesis

The interest of microwaves in drug discovery and multi-step synthesis is exposed with the aim of describing our strategy. These studies are connected with our work on the synthesis of original heterocyclic compounds with potential pharmaceutical value. Reactions in the presence of solvent and solvent-free synthesis can be realised under a variety of conditions; for some of these selected results are given, and where available, results from comparison with the same solvent-free conditions but with classical heating are given.     

Thermal oxidation of detonation nanodiamond

In this work the results of investigation of detonation ultradispersed diamond (UDD) powder by means of thermogravimetric analysis (TGA) and Raman scattering (RS) are presented. Using the TGA method the temperature regions corresponding to the oxidation of different carbon fractions included in the composition of UDD powder were determined. In particular, it was established that heat treatment in the air at a temperature not exceeding 550°C leads to the oxidation and removal of nondiamond carbon, while the diamond part of the UDD remains unchanged. The form of the diamond RS band in the spectra of the UDD powder oxidized at 550°C shows good agreement with the model of phonon confinement. Based on the comparison of the results of experimental data and theoretical calculations for the RS band forms the size of the UDD crystal grains was defined as 4–5 nm.     

Optical properties of nanodiamond layers

Thin ultradisperse diamond (UDD) layers deposited from a water suspension are studied by optical and x-ray photoelectron spectroscopy (XPS). The effective band gap determined by the 10⁴-cm^?1 criterion for ozone-cleaned UDD is 3.5 eV. The broad structureless photoluminescence band (380–520 nm) is associated with radiative recombination through a system of continuously distributed energy levels in the band gap of diamond nanoclusters. The optical absorption of the material at 250–1000 nm originates from absorption on the disordered nanocluster surface containing threefold-coordinated carbon. The surface of UDD clusters subjected to acid cleaning contains nitrogen-oxygen complexes adsorbed in the form of NO ₃ ^? nitrate ions. Annealing in a hydrogen atmosphere results in desorption of the nitrate ions from the cluster surface. The evolution of the oxygen (O1s) and nitrogen (N1s) lines in the XPS spectra under annealing of a UDD layer is studied comprehensively.     

On the problem of discovery of new chemical elements

Criteria for identification of new chemical elements are discussed using analysis of theoretical and experimental investigations as the base. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 54–57, July, 2007.     

Optical properties of detonation nanodiamond hydrosols

Studies of the optical properties of hydrosols of 4-nm detonation nanodiamond particles performed in the 0.2–1.1 μm range have revealed a novel effect, a strong increase of absorption at the edges of the spectral range, and provided its explanation in terms of absorption of radiation by the dimer chains (the so-called Pandey chains) fixed on the surface of a nanodiamond particle. The effect of particle size distribution in a hydrosol on the relative intensity of Rayleigh scattering and light absorption by nanodiamond particles in this range has been analyzed.     

Strategies for the synthesis of novel indole alkaloid-based screening libraries for drug discovery

A series of diverse indole-based chemotypes were synthesized from -tetrahydrocarboline (-THC) scaffolds prepared from commercially and readily available tryptamines and -ketoesters. Diversity can be generated within these chemotypes through the following strategies: (a) appendage of substituents to the -THC scaffold, prepared in situ or as a template, through further elaboration and (b) skeletal modifications to the -THC scaffold via ring forming or ring breaking reactions. The strategies described here are amenable to high throughput solution-phase parallel synthesis, providing access to novel indole-based screening libraries for drug discovery.Dedicated to Professor Spyros P. Perlepes     

非简谐振动对纳米金刚石表面性质的影响

借助米-里纳德-金斯势研究了纳米金刚石的Debye温度、表面能、表面压强、晶格参量随原子数和形状的变化规律, 探讨了非简谐振动和形状对其表面性质的影响.结果表明: 1)纳米金刚石的Debye温度和表面能随原子数的增多而增大, 其中杆状的Debye温度和表面能要小于立方形的值; 2)纳米金刚石的表面压强和低温时的晶格参量相对变化量随原子数N 的增多而减小,其中杆状的值要比立方形的值要大; 3)原子数较少时,非简谐振动效应和形状对纳米晶的Debye温度、表面能、 表面压强、晶格参量的影响显著.