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   E 58

    Enyashin, A. N.
    Structural, Elastic, and Electronic Properties of New Superhard Isotropic Cubic Crystals of Carbon Nanotubes / A. N. Enyashin, A. L. Ivanovskii // JETP Letters. - 2008. - Vol. 87, № 6. - P321-325 : il. - Bibliogr. : p. 325 (30 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОТРУБКИ КАРБОНОВЫЕ -- ИЗОТРОПНЫЕ КУБИЧЕСКИЕ КРИСТАЛЛЫ
Аннотация: The models of new isotropic cubic crystals of single-layered carbon nanotubes are proposed. The structural, elastic, and electronic properties and the energies of formation of these crystals were calculated using the density functional-based tight binding (DFTB) method. The crystals proposed were found to exhibit extreme compression moduli (550–650 GPa) and a minimum compressibility (0.0018–0.0015 GPa–1); in this case, the type of conduction of the parent nanotubes was retained. For this reason, the above crystals are of interest for the development of new superhard materials with controllable electrophysical properties

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   G 96

    Gusev, A. I.
    of NonstoichiometricEffect of Carbon Vacancies on the Electric Resistivity of Nonstoichiometric VCy Vanadium Carbide / A. I. Gusev // JETP Letters. - 2009. - Vol. 90, № 3. - P191-196 : il. - Bibliogr. : p. 196 (21 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НЕСТЕХИОМЕТРИЯ -- КАРБИД ВАНАДИЯ -- ЭЛЕКТРОСОПРОТИВЛЕНИЕ
Аннотация: The influence of the temperature, concentration, and distribution of structure vacancies of the carbon sub lattice on the electric resistivity ρ of nonstoichiometric VCy vanadium carbide (0.66 ≤ y ≤ 0.875) has been studied in the temperature range of 300–1200 K. The symmetry and structure characteristics of the ordered V6C5 and V8C7 phases formed owing to low temperature annealing on various sections of the homogeneity region of the VCy carbide. The dependence of the residual electric resistivity on the content of the disordered vanadium carbide is explained by the atom–vacancy interaction and the change in the carrier concentration in the homogeneity region of VCy

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   D 58


    Dimensionally, Morphologically, and Thermally Induced Phase Transformations in Boron–Nitrogen Nanowires / V. V. Ivanovskaya, A. Zobelli, G. Seifert, A. L. Ivanovskii // JETP Letters. - 2007. - Vol. 85, № 12. - P626-631 : il. - Bibliogr. : p. 630-631 (36 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОМАТЕРИАЛЫ -- НИТРИД БОРА
Аннотация: Structural, thermal, electronic, and energetic properties of cubic boron nitride (BN) nanowires are studied using the density-functional tight-binding method. The effect of the total or partial rearrangement of the cubic structure of nanowires into the hexagonal one depending on the size, morphology, and thermal treatment of the starting wire has been revealed. As distinct from the known homogeneous carbon diamond-like nanowires, stable BN nanowires are two-phase systems whose “shell” has a hexagonal structure and “core” has a cubic structure. The changes in the electronic properties of BN nanowires induced by their structural transformations are discussed. It is shown that boron–nitrogen nanowires can exhibit both semiconducting and metallic properties

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   B 17

    Bakhteeva, Yu. A.
    Gas-Sensing Properties of Nanostructured MxV2O5 (M = Na, K, Rb, Cs) Oxides / Yu. A. Bakhteeva, N. V. Podval'naya, V. L. Volkov // Inorganic Materials. - 2010. - Vol. 46, № 10. - P. 1112-1114 : il. - Bibliogr. : p. 1114 (7 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОСТРУКТУРИРОВАНННЫЕ ОКСИДЫ -- ОКСИД ВАНАДИЯ -- ЩЕЛОЧНЫЕ МЕТАЛЛЫ -- ГАЗОСЕНСОРНЫЕ СВОЙСТВА
Аннотация: The gas-sensing properties of nanostructured vanadium oxide doped with alkali-metal cations (MxV2O5 with M = Na, K, Rb, and Cs) have been studied by measuring the resistance of films as a function of analyte content using an impedance meter. The results show that the doped vanadium oxide is sensitive to hydrogen, carbon monoxide, and ammonia in the concentration ranges 0.1–80, 0.1–5, and 0.1–5 vol %, respectively. The strongest gas response is offered by Rb0.47V2O5, which is due to the smallest interlayer spacing in the structure of this nanomaterial and to its larger specific surface area

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   L 79

    Lipatnikov, V. N.
    Dependence of the resistivity of nonstoichiometric titanium carbide TiCy on the density and distribution of carbon vacancies / V. N. Lipatnikov, A. I. Gusev // Journal of Experimental and Theoretical Physics. - 1999. - Vol. 70, № 4. - P. 294-300 : il. - Bibliogr. : p. 300 (17 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НЕСТЕХИОМЕТРИЯ -- КАРБИД ТИТАНА
Аннотация: The influence of temperature and of the density and distribution of structural vacancies in the carbon sublattice on the resistivity of nonstoichiometric titanium carbide TiCy (0.5
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   R 42

    Rempel, A. A.
    Identification of Structural Vacancies in Carbides, Oxides, and Sulfides by Doppler Broadening of the Gamma-Ray Line / A. A. Rempel, A. A. Valeeva, N. S. Kozhevnikova // JETP Letters. - 2010. - Vol. 92, № 3. - P146-150 : il. - Bibliogr. : p. 150 (9 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СТРУКТУРНЫЕ ВАКАНСИИ -- КАРБИДЫ -- ОКСИДЫ -- СУЛЬФИДЫ
Аннотация: A method has been developed to identify the sublattices of a crystal structure in which there are atomic vacancies. This method is based on determining the chemical environment of vacancies and is implemented using the method of the positron annihilation by measuring the momentum distribution of core electrons. To determine the characteristic momentum distribution of electrons, a special two-detector spectroscopy is used, which ensures measurements of Doppler broadening of the annihilation gamma ray line with a high (up to 106) signal-to-noise ratio. To test the method, vacancies in irradiated silicon carbide (6H SiC), sintered nonstoichiometric titanium carbides (TiCy) and titanium monoxides (TiOy), and chemically deposited lead and cadmium sulfides (PbS and CdS) have been identified. Vacancies in the carbon and silicon sublattices have been identified in silicon carbide after irradiation by low- and high-energy electrons, respectively. Vacancies in the nonmetal sublattice have been identified in TiCy. Vacancies in the metal sublattice have been identifiedin TiCy, as well as in PbS and CdS

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   I-70


    Investigation of TiC–C Coatings by X-Ray Photoelectron Spectroscopy / M. V. Kuznetsov, S. V. Borisov, O. R. Shepatkovskii, Yu. G. Veksler, V. L. Kozhevnikov // Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques. - 2009. - Vol. 3, № 3. - P331-337 : il. - Bibliogr. : p. 337 (14 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КАРБИД ТИТАНА -- РЕНТГЕНОВСКАЯ ФОТОЭЛЕКТРОННАЯ СПЕКТРОСКОПИЯ -- ПОКРЫТИЯ
Аннотация: Titanium carbide-based coatings deposited by arc-technology in C2H2/Ar atmosphere were studied by X-ray photoelectron spectroscopy. It was found that, in addition to the cubic phase of TiCxOy oxycarbide, the films contain carbon in the amorphous, presumably graphite-like state. In carbon C1s spectra, bands at 282.0, 284.4, and 286.0 eV correspond to the TiCx state, amorphous carbon, and C–C bonds, respectively. The maximum at 283.0 eV was interpreted as the C state in titanium carbide nanoforms, i.e., Ti14C13 clusters or Ti8C14 carbohedra. The phase ratio was varied by coating deposition conditions, i.e., TiC/a-C deposition by Ti cathode sputtering in C2H2/Ar, and composite Ti/C target sputtering in Ar and C2H2/Ar. When using the Ti cathode and C2H2/Ar gas mixture, the ratio of carbide and amorphous a-C phases was estimated as 1 : 1; the surface layer ~15 nm thick was enriched with amorphous carbon. It was assumed that TiC/ a-C composite coatings with an additional a -C film on the surface would have an increased stability in reaction media and good biocompatibility

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   R 42

    Rempel, A. A.
    Preparation of Disordered and Ordered Highly Nonstoichiometric Carbides and Evaluation of Their Homogeneity / A. A. Rempel, A. I. Gusev // Physics of the Solid State. - 2000. - Vol. 42, № 7. - P1280-1286 : il. - Bibliogr. : p. 1286 (22 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НЕСТЕХИОМЕТРИЯ -- КАРБИДЫ -- ГОМОГЕННОСТЬ
Аннотация: The features of solid-phase synthesis of highly nonstoichiometric carbides with controlled concentration of structural vacancies in the carbon sublattice have been considered. Four main stages are distinguished in the synthesis of nonstoichiometric carbides by the solid-phase sintering technique. It is shown that the inhomogeneity of highly nonstoichiometric compounds leads to the broadening of diffraction reflections. The analytical relation between the broadening and the inhomogeneity is obtained for the first time, and the method based on diffraction measurements is proposed for the quantitative evaluation of the degree of homogeneity of nonstoichiometric compounds. As an illustration of the advanced approach, the degree of homogeneity of nonstoichiometric niobium carbide is evaluated from the experimental data on the width of x-ray diffraction peaks.The heat treatment conditions providing the preparation of nonstoichiometric Group IV and V transition metal carbides in the disordered and ordered states are determined

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   S 81

    Ivanovskaya, V. V.
    Simulation of Novel Superhard Carbon Materials Based on Fullerenes and Nanotubes / V. V. Ivanovskaya, A. L. Ivanovskii // Journal of Superhard Materials. - 2010. - Vol. 32, № 2. - P67-87 : il. - Bibliogr. : p. 82-87 (143 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МОДЕЛИРОВАНИЕ -- СВЕРХТВЕРДЫЕ МАТЕРИАЛЫ -- ФУЛЛЕРЕНЫ -- НАНОТРУБКИ
Аннотация: The state-of-the-art in theoretical research directed at the search for superhard materials based on carbon fullerenes and nanotubes has been briefly reviewed. The data available on elastic properties of the main groups of condensed phases that form due to the interaction of fullerenes or (and) nanotubes because of both weak (of the van der Waals type) bonds and polymerization to form strong covalent sp3 bonds have been considered. Models for new hypothetical carbon nanostructured materials (the so called autointercalated hyperdiamonds, covalently bonded lattices of nanotubes, tubular cubic crystals, etc.) are discussed, and elastic properties of them are considered as related to their atomic structure, special features of their electronic structure and chemical bond have been discussed. The problems of synthesis of these systems are briefly considered

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10.

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   G 96

    Gusev, A. I.
    Sequence of Phase Transformations in the Formation of Superstructures of the M6C5 Type in Nonstoichiometric Carbides / A. I. Gusev // Journal of Experimental and Theoretical Physics. - 2009. - Vol. 109, № 3. - P417-433 : il. - Bibliogr. : p. 432-433 (46 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФАЗОВЫЙ ПЕРЕХОД -- НЕСТЕХИОМЕТРИЯ -- КАРБИДЫ
Аннотация: A symmetry analysis has been made of monoclinic and trigonal superstructures of the M6C5 type, which are formed in nonstoichiometric cubic carbides MCy with a B1 structure. Channels of disorder–order transitions MCy ->M6C5 have been revealed, and the distribution functions of carbon atoms in the M6C5 superstructures have been calculated. The atomic–vacancy ordering in nonstoichiometric cubic carbides of vanadium VCy and niobium NbCy has been investigated using neutron diffraction and X ray diffraction analyses. It has been shown that, as the temperature decreases, the Group V transition metal carbides MCy can undergo two physically admissible sequences of transformations associated with the formation of M6C5 phases

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11.

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   E 58

    Enyashin, A. N.
    Simulation of structural, elastic, and electronic properties of new cubic crystals of carbon and BN nanotubes / A. N. Enyashin, A. L. Ivanovskii // Journal of Structural Chemistry. - 2008. - Vol. 49, № 6. - P994-1000 : il. - Bibliogr. : p. 999-1000 (36 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОТРУБКИ БОРОНИТРИДНЫЕ -- КАРБОНОВЫЕ НАНОТРУБКИ
Аннотация: Models of new cubic crystals from carbon and boron-nitrogen (BN) nanotubes are proposed. Within electronic density functional theory, their structural, elastic, and electronic properties are studied. These isotropic nanotubular crystals are found to have extremely high elastic modules B (~490-650 GPa) and low compressibility beta (~0.0020-0.0015 1/GPa) and maintain the conductivity typical of their “building blocks,” i.e. isolated carbon and BN nanotubes

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12.

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   E 58

    Enyashin, A. N.
    Electronic Structure of Nanotubes of Layered Modifications of Carbon Nitride C3N4 / A. N. Enyashin, A. L. Ivanovskii // Doklady Physical Chemistry. - 2004. - vol. 398, № 1. - P. 211-215 : il. - Bibliogr. : p.

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ЭЛЕКТРОННАЯ СТРУКТУРА -- НАНОТРУБКИ -- НИТРИД УГЛЕРОДА

\\\\Expert2\\nbo\\Doklady Physical Chemistry\\2004, V.398, N 1-3, p.211-215.pdf
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13.

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   I-60


    Influence of Carbon Vacancies on the Electronic Properties of Solid Solutions in the W–Al–C System from First Principles Calculations / D. V. Suetin, I. R. Shein, V. G. Bamburov, A. L. Ivanovskii // Doklady Physical Chemistry. - 2009. - vol. 424, № 1. - P. 14-16 : il. - Bibliogr. : p. 16 (13 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ЭЛЕКТРОННЫЕ СВОЙСТВА -- РАСТВОРЫ ТВЕРДЫЕ -- РАСЧЕТЫ ПЕРВОПРИНЦИПНЫЕ -- КАРБИДЫ ПЕРЕХОДНЫХ МЕТАЛЛОВ

\\\\Expert2\\nbo\\Doklady Physical Chemistry\\2009, V. 424, N 1, p.14-16.pdf
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14.

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   E 43


    Electronic structure and magnetism in BeO nanotubes induced by boron,carbon and nitrogen doping, and beryllium and oxygen vacancies insidetube walls / M. A. Gorbunova, I. R. Shein, Yu. N. Makurin, V. V. Ivanovskaya, V. S. Kijko, A. L. Ivanovskii // Physica E. - 2008. - Vol. 41. - P. 164-168 : il. - Bibliogr. : p. 168 (22 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МОНООКСИД БЕРИЛЛИЯ -- МАГНЕТИЗМ -- НАНОТРУБКИ -- НЕСТЕХИОМЕТРИЯ
Аннотация: We have performed ab initio calculations to systematically investigate electronic properties and magnetism of insulating non-magnetic beryllium monoxide nanotubes (BeO NTs) induced by nonmagnetic sp impurities: boron, carbon and nitrogen, as well as by nanotube wall defects: Be or??O vacancies.We found that in the presence of these sp impurities, which replace oxygen atoms, the nonmagnetic BeO NTs transform into magnetic semiconductors, which acquire magnetization caused by spin splitting of (B, C, N) 2p states located in the forbidden gap of a BeO tube. The magnetic moments of the impurities vary from 0.65 to 1.60mB. It was also found that a beryllium vacancy leads to vacancyinduced magnetic moments (at about 0.6mB) arising on the nearest oxygen atoms and berylliumdeficient BeO nanotubes adopt half-metallic-like properties. On the contrary, when (B, C, N) dopants??substitute for Be atoms or in the presence of an oxygen vacancy, the non-magnetic state of the BeO??tubes is retained. The results obtained have been compared with theoretically predicted magnetization effects for doped and non-stoichiometric crystalline BeO

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   E 58

    Enyashin, A. N.
    DNA-wrapped carbon nanotubes / A. N. Enyashin, S. Gemming, G. Seifert // Nanotechnology. - 2007. - V. 18, № 24. - P. 245702(10 pp.) : il. - Bibliogr. : p. 245702-10(47 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОТРУБКИ УГЛЕРОДНЫЕ -- ДЕЗОКСИРИБОНУКЛЕИНОВАЯ КИСЛОТА
Аннотация: The stability and electronic properties of complexes of single-walled carbon nanotubes wrapped by homopolymeric single-stranded DNA molecules (CNT@DNA) are considered using a quantum mechanical density-functional tight-binding method (DFTB). A phenomenological model of the CNT@DNA formation energy depending on the nanotube radii is developed,which shows that the decoration of a CNT by a few DNA chains leads to a high water solubility of CNT@DNA. Pyrimidine-based DNAs are found to be more effective to wrap the CNTs than other DNAs. The densities of states of the CNT@DNA complexes are close to the superposition of those of the ‘free’ components with some additional states below the Fermi level. The band gap in a hybrid CNT@DNA system is determined by the competition between the Fermi levels of the ‘free’ DNA and CNT. In a few specific cases a considerable charge transfer from the DNA to the CNT was observed, combined with an additional gain in the CNT@DNA formation energy

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16.

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   H 99


    Hydrogen in nonstoichiometric cubic niobium carbides: Neutron vibrationalspectroscopy and neutron diffraction studies / A. V. Skripov, H. Wu, T. J. Udovic, Q. Huang, R. Hempelmann, A. V. Soloninin, A. A. Rempel, A. I. Gusev // Journal of Alloys and Compounds. - 2009. - Vol. 478. - P68-74 : il. - Bibliogr. : p. 73-74 (26 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СТРУКТУРА КРИСТАЛЛИЧЕСКАЯ -- НЕСТЕХИОМЕТРИЯ -- КАРБИД НИОБИЯ
Аннотация: The vibrational spectra and positions of H(D) atoms in NbC1.yHx(Dx) (0.19.y.0.29, 0.04.x.0.30) have??been studied by inelastic neutron scattering (INS) and neutron diffraction. The analysis of the neutron??diffraction data forNbC0.76Hx(Dx) andNbC0.71Hx(Dx) has revealedanumber of different structures depending on the carbon concentration and the presence of absorbed H(D) atoms: the partially ordered cubic??Pmmm structure for NbC0.76, the partially ordered orthorhombic Pmmm structure for NbC0.76D0.17 and NbC0.76H0.18, the disordered cubic FmЃP3mstructure for NbC0.71 and NbC0.71D0.30, and the disordered tetragonal I4/mmm structure for NbC0.71H0.28. The INS spectra of NbC0.81Hx and NbC0.76Hx(Dx) in the energy transfer range 40.140meV are found to consist of a single fundamental peak due to hydrogen optical??vibrations (centered at 98meV for H and at 65meV for D) and a single peak due to carbon optical vibrations (centered at 78 meV). In addition to these peaks, the INS spectrum of NbC0.71H0.28 exhibits a peak at 130 meV, suggesting that H atoms in this compound occupy the sites displaced from the centers of carbon vacancies

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17.

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   O-69


    Ordering Effects in Nonstoichiometric Titanium Carbide / V. N. Lipatnikov, A. Kottar, L. V. Zueva, A. I. Gusev // Inorganic Materials. - 2000. - Vol. 36, № 2. - P. 155-161 : il. - Bibliogr. : p. 160 (15 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НЕСТЕХИОМЕТРИЯ -- КАРБИД ТИТАНА
Аннотация: The effect of carbon ordering on the crystal structure and resistivity of cubic TiCy was studied. The ordering of TiCy below 1020 K was found to yield cubic or trigonal Ti2C or orthorhombic Ti3C 2, depending on composition. Temperature-dependent resistivity data for compositions from TIC0.52 to TIC0.62 indicate that the temperature of the reversible equilibrium order--disorder transition ranges from 980 to 1000 K

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18.

Инвентарный номер: нет.

   I-98

    Ivanovskaya, V. V.
    Atomic Structure, Electronic Properties, and Thermal Stability of Diamond-like Nanowires and Nanotubes / V. V. Ivanovskaya, A. L. Ivanovskii // Inorganic Materials. - 2007. - Vol. 43, № 4. - P. 349-357 : il. - Bibliogr. : p. 356-357 (41 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
АТОМНАЯ СТРУКТУРА -- СВОЙСТВА ЭЛЕКТРОННЫЕ -- СВОЙСТВА ТЕРМИЧЕСКИЕ -- НАНОВОЛОКНА АЛМАЗОПОДОБНЫЕ -- НАНОТРУБКИ
Аннотация: Density functional tight-binding calculations are used to investigate the structure, electronic properties, energy stability, and thermal behavior (0–1500 K) of extended monolithic (nanowires) and hollow (nanotubes) diamond-like carbon nanostructures. The results indicate that diamond-like nanowires and nanotubes may be both metallic and semiconducting, depending on their morphology and size. A new type of hybrid (sp3+sp2) nanostructure is identified, which has the form of a monolithic diamond-like (sp3) wire inside a graphite-like (sp2) shell. Diamond-like nanowires are shown to be more stable than nanotubes of comparable size

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19.

Инвентарный номер: нет.

   K 93

    Kurlov, A. S.
    Effect of WC Nanoparticle Size on the Sintering Temperature, Density, and Microhardness of WC–8 wt % Co Alloys / A. S. Kurlov, A. A. Rempel // Inorganic Materials. - 2009. - Vol. 45, № 4. - P. 380-385 : il. - Bibliogr. : p. 385 (10 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОЧАСТИЦЫ -- КАРБИД ВОЛЬФРАМА -- МИКРОТВЕРДОСТЬ -- КОБАЛЬТ -- СПЛАВЫ
Аннотация: Using X-ray diffraction, scanning electron microscopy, and density measurements, we have studied the effect of WC particle size (20 to 150 nm) on the optimal sintering temperature of the WC–8 wt % Co alloy and the effect of sintering temperature (800–1600°C) on its phase composition, density, and microhardness. The results indicate that, during sintering of the starting powder mixture, the first to form is the ternary carbide phase Co6W6C. At sintering temperatures of 1100°C and above, this phase reacts with carbon to form Co3W3C. Sintering above 1000°C leads to the formation of a cubic solid solution of tungsten carbide in cobalt, β-Co(WC), along with the ternary carbide phases. The density and microhardness of the alloy have been measured as functions of sintering temperature. The use of WC nanopowder has been shown to reduce the optimal sintering temperature of the WC–Co alloy by about 100°C

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20.

Инвентарный номер: нет.

   E 58

    Enyashin, A. N.
    Deformation Mechanisms for Carbon and Boron Nitride Nanotubes / A. N. Enyashin, A. L. Ivanovskii // Inorganic Materials. - 2006. - Vol. 42, № 12. - P. 1336-1341 : il. - Bibliogr. : p. 1341 (20 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ДЕФОРМАЦИИ -- КАРБОН -- НИТРИД БОРА -- НАНОТРУБКИ
Аннотация: Molecular dynamics simulation in the density functional tight-binding approximation is used to assess the energetics and atomic mechanisms of the bending and twisting of carbon and boron nitride nanotubes

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