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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Valkov V. V., Ovchinnikov S. G.
Заглавие : CONTRIBUTION OF MAGNON-MAGNON INTERACTION TO THERMODYNAMICS OF ANISOTROPIC FERROMAGNETS
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz.: MEZHDUNARODNAYA KNIGA, 1983. - Vol. 85, Is. 5. - P1666-1674. - ISSN 0044-4510
Примечания : Cited References: 19
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : ZINENKO V. I., TOMSHINA N. G.
Заглавие : THERMODYNAMICS OF INTERACTING ISING AND MITSUI TYPE QUASI-ONE-DIMENSIONAL SYSTEMS
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1982. - Vol. 24, Is. 2. - P480-485. - ISSN 0367-3294
Примечания : Cited References: 20
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzmin E. V., Petrakovskii G. A.
Заглавие : Thermodynamics of quasi-2-dimensional heisenberg-ferromagnet with single-ion-anisotropy
Место публикации : Fiz. Tverd. Tela. - 1986. - Vol. 28, Is. 11. - P.3551-3553. - ISSN 0367-3294
Примечания : Cited References: 4
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sadreev A. F.
Заглавие : Thermodynamics of soliton configurations in a two-dimensional model for displacive phase-transition
Разночтения заглавия :авие SCOPUS: Thermodynamics of solition configurations in a two-dimensional model for displacive phase transition
Место публикации : Z. Phys. B-Condens. Mat. - 1988. - Vol. 73, Is. 1. - P.115-124. - ISSN 0722-3277, DOI 10.1007/BF01312162
Примечания : Cited References: 32
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : VAKS V. G., ZINENKO V. I.
Заглавие : THERMODYNAMICS OF 6-VERTEX MODELS IN DIRECT AND STAGGERED ELECTRIC-FIELDS IN THE CLUSTER APPROXIMATION
Разночтения заглавия :авие SCOPUS: Thermodynamics of six-vertex models in direct and staggered electric fields in the cluster approximation
Место публикации : JOURNAL OF PHYSICS C-SOLID STATE PHYSICS: IOP PUBLISHING LTD, 1986. - Vol. 19, Is. 17. - P3083-3104. - ISSN 0022-3719, DOI 10.1088/0022-3719/19/17/007
Примечания : Cited References: 21
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sidorov K. A., Tikhonov N. V., Ovchinnikov S. G.
Заглавие : Exact solution for the thermodynamics of the one-dimensional Hubbard model with infinite repulsion in a magnetic field
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016): abstracts/ ed.: O. A. Maksimova, R. D. Ivantsov. - Krasnoyarsk: KIP RAS SB, 2016. - Ст.P1.43. - P.104. - ISBN 978-5-904603-06-9 (Шифр -478014040)
Примечания : References: 4
Ключевые слова (''Своб.индексиров.''): hubbard model--magnetic field--infinite repulsion--thermodynamics--exact solution
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Basova S. A., Molokeev M. S., Oreshonkov A. S., Zhernakov M. A., Khritokhin N. A., Aleksandrovsky A. S., Krylov A. S., Sal’nikova E. I., Azarapin N. O., Shelpakova N. A., Muller-Buschbaum K., Denisenko Yu. G.
Заглавие : Thermochemistry, structure, and optical properties of a new β-La2(SO4)3 polymorphic modification
Колич.характеристики :14 с
Место публикации : Inorganics. - 2023. - Vol. 11, Is. 11. - Ст.434. - ISSN 23046740 (eISSN), DOI 10.3390/inorganics11110434
Примечания : Cited References: 58. - The work was partly carried out within the framework of the Strategic Academic Leadership Program “Priority-2030” for the Kazan Federal University and the state assignment of the Kirensky Institute of PhysicsWe acknowledge Lisa-Marie Wagner (JLU Giessen) for help with X-ray powder diffractometry, and Svetlana Volkova and Irina Palamarchuk (UTMN) for help with IR- and UV-spectrometry. The use of equipment provided by the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” is acknowledged
Аннотация: A new polymorphic modification of lanthanum sulfate was obtained by thermal dehydration of the respective nonahydrate. According to powder X-ray diffraction, it was established that β-La2(SO4)3 crystallized in the C2/c space group of the monoclinic system with the KTh2(PO4)3 structure type (a = 17.6923(9), b = 6.9102(4), c = 8.3990(5) Å, β = 100.321(3)°, and V = 1010.22(9) Å3). Temperature dependency studies of the unit cell parameters indicated almost zero expansion along the a direction in the temperature range of 300–450 K. Presumably, this occurred due to stretching of the [LaO9]n chains along the c direction, which occurred without a significant alteration in the layer thickness over the a direction. A systematic study of the formation and destruction processes of the lanthanum sulfates under heating was carried out. In particular, the decisive impact of the chemical composition and formation energy of compounds on the thermodynamic and kinetic parameters of the processes was established. DFT calculations showed β-La2(SO4)3 to be a dielectric material with a bandgap of more than 6.4 eV. The processing of β-La2(SO4)3 with the Kubelka–Munk function exhibited low values below 6.4 eV, which indicated a fundamental absorption edge above this energy that was consistent with LDA calculations. The Raman and infrared measurements of β-La2(SO4)3 were in accordance with the calculated spectra, indicating that the obtained crystal parameters represented a reliable structure.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I.
Заглавие : Thermodynamics of spin ice on an antiperovskite lattice in the cluster approximation
Колич.характеристики :5 с
Место публикации : Phys. Solid State. - 2023. - Vol. 65, Is. 7. - P.1203-1207. - ISSN 10637834 (ISSN), DOI 10.21883/PSS.2023.07.56415.63. - ISSN 10906460 (eISSN)
Примечания : Cited References: 9
Аннотация: Low-temperature thermodynamic properties of spin ice have been studied for compounds with the structure of antiperovskite containing rare-earth ions with the general chemical formula ReMeO (where Re - is a rare-earth element, Me - is a divalent metal). The calculations were carried out in the cluster approximation. The cases of undistorted and distorted ORe6 octahedron are discussed. In the case of an undistorted octahedron in the absence of an external magnetic field, the ground state of the system is infinitely degenerate. When an external magnetic field is applied, anomalies in the temperature dependences of heat capacity, entropy and magnetization are detected. In the case of a distorted octahedron and assuming that this distortion leads to the energy efficiency of two of the sixty-four configurations, it is obtained that there is a phase transition in the system of magnetic rare-earth ions.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sursyakova V.V., Kalyakin S.N., Burmakina G.V., Rubaylo A.I.
Заглавие : The novel method for determination of association constants of strong electrolytes ions using capillary electrophoresis technique
Коллективы : International Conference on Chemical Thermodynamics in Russia
Место публикации : XVII International Conference on Chemical Thermodynamics in Russia (RCCT-2009): abstracts. - 2009. - Vol. 1. - P.314
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Val'kov V. V., Shustin M. S.
Заглавие : Effect of intersite repulsion on the correlation functions and thermodynamics of an Ising chain with annealed magnetic disorder
Место публикации : Bull. Russ. Acad. Sci. Phys.: Allerton Press, 2016. - Vol. 80, Is. 11. - P.1335-1337. - ISSN 10628738 (ISSN), DOI 10.3103/S1062873816110290
Примечания : Cited References: 6. - This work was supported by the Russian Foundation for Basic Research, project nos. 13-02-00073, 14-02-31237, and 15-42-04372.
Ключевые слова (''Своб.индексиров.''): chains--magnetic susceptibility--temperature distribution--thermodynamics--transfer matrix method--correlation function--equilibrium behavior--equilibrium distributions--non-magnetic impurities--quantum phase transitions--repulsion parameter--temperature dependence--transfer matrix technique--phase transitions
Аннотация: An exact solution for a model describing the equilibrium behavior of an ensemble of Ising chains with nonmagnetic intersite repulsion of nearest neighbors and an equilibrium distribution of nonmagnetic impurities is obtained using the transfer matrix technique. The possibility of exciting quantum phase transitions using the intersite repulsion parameter in a system is demonstrated. Proximity to the critical points of these transitions has a substantial effect on the temperature dependence of a system’s magnetic susceptibility. © 2016, Allerton Press, Inc.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Pavlovskii M. S.
Заглавие : Thermodynamics of spin ice in staggered and direct (along the [111] axis) fields in the cluster approximation
Коллективы : Russian Foundation for Basic Research; Government of the Krasnoyarsk Territory; Krasnoyarsk Territory Foundation for Supporting the Scientific and Research Activity [16-42-243039]
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2017. - Vol. 124, Is. 2. - P.295-303. - ISSN 1063-7761, DOI 10.1134/S1063776117020182. - ISSN 1090-6509(eISSN)
Примечания : Cited References:15. - This work was supported by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory, and the Krasnoyarsk Territory Foundation for Supporting the Scientific and Research Activity (project no. 16-42-243039).
Предметные рубрики: ENTROPY
HEAT
Аннотация: We have analyzed the low-temperature thermodynamic properties of spin ice in the staggered and direct (acting along the [111] axis) fields for rare-earth oxides with the chalcolamprite structure and general formula Re23+Me24+O72- . Calculations have been performed in the cluster approximation. The results have been compared with experimental temperature dependences of heat capacity and entropy for Dy2Ti2O7 compound for different values of the external field in the [111] direction. The experimental data and calculated results have also been compared for the Pr2Ru2O7 compound with the antiferromagnetic ordering of magnetic moments of ruthenium ions, which gives rise to the staggered field acting on the system of rare-earth ions. The calculated temperature dependences of heat capacity and entropy are in good agreement with experimental data.
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12.

Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Mironov V. L., Molostov I. P., Scherbinin V. V.
Заглавие : Dielectric model of a mineral arctic soil thawed and frozen at 0.05-15 GHz
Коллективы : International Siberian Conference on Control and Communications
Место публикации : Int. Sib. Conf. on Control and Communicat. (SIBCON 2015): Proceedings: IEEE-Institute Electrical and Electronics Engineers, 2015. - P.1-7. - , DOI 10.1109/SIBCON.2015.7147146
Ключевые слова (''Своб.индексиров.''): arctic regions--dielectric model--dielectric relaxation--remote sensing--soil--temperature dependence--dielectric relaxation--moisture--remote sensing--soil moisture--soils--temperature--temperature distribution--thawing--thermodynamics--active and passive remote sensing--arctic regions--complex dielectric constant--dielectric modeling--soil dielectric constant--spectroscopic parameters--temperature dependence--thermodynamics parameters--soil surveys
Аннотация: The dielectric model for an arctic soil both thawed and frozen has been developed. The model is based on the soil dielectric measurements carried out in the ranges of gravimetric moisture from 0.01 to 0.43 g/g, dry soil density from 1.25 to 1.83 g/cm3, and temperature from 25 to -30°C (cooling run), in the frequency range 0.05-15 GHz. To fit the results of measurements of the soil complex dielectric constant as a function of soil moisture and wave frequency, the refractive mixing dielectric model in conjunction with the Debye multi-relaxation equations were applied. As a result, the spectroscopic parameters of dielectric relaxations for the bound, transient bound, and unbound soil water components were derived, being further complimented with the thermodynamics parameters to ensure a complete set of parameters of the temperature dependent multi-relaxation spectroscopic dielectric model for moist soils proposed. To calculate complex dielectric constant of soil, the following input variables have to be assigned: 1) density of dry soil, 2) gravimetric moisture, 3) wave frequency, and 4) temperature. The error of the dielectric model was evaluated in terms of RMSE, yielding the values RMSE of 0.53 and 0.43 for the soil dielectric constant and loss factor, respectively. These values appeared to be in the order of the dielectric measurement error itself. The dielectric model suggested can be applied in the active and passive remote sensing techniques in microwave to develop algorithms for retrieving soil moisture and freeze/thaw state of the topsoil in the Arctic regions. © 2015 IEEE.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Sidorov K. A., Shneyder E. I.
Заглавие : Anomalous thermodynamics of the doped Mott-Hubbard insulators
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 53, Is. 2. - P299-302. - ISSN 1063-7834, DOI 10.1134/S1063783411020247
Примечания : Cited References: 6. - This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00127), the Branch of the Physical Sciences of the Russian Academy of Sciences (program nos. 2 and 3), grant no. MK-1683.2010.2, and by the Federal Target Program "Personnel" (project NK-589 P).
Предметные рубрики: T-J MODEL
SPECTRUM
Аннотация: The concentration dependence of the entropy of doped Mott-Hubbard insulators has been considered within the t-J model. It has been shown that a change in the type and statistics of charge carriers as compared to the Fermi gas leads to a radical change in the entropy s, in particular, to the giant growth of the entropy upon doping. The quantity a,s/a,x a parts per thousand k (B) is approximately consistent with the experimental data for HTSC cuprates in the pseudogap phase.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Aleksandrov K. S., Tressaud A., Grannec J., Couzi M.
Заглавие : Phase transitions in elpasolites (ordered perovskites)
Место публикации : Materials Science and Engineering R: Reports. - 1998. - Vol. 24, Is. 3. - P.81-151. - ISSN 0927-796X
Примечания : Cited References: 174
Предметные рубрики: ELASTIC NEUTRON-DIFFRACTION
MII = CO
RAMAN-SCATTERING
THERMODYNAMIC PROPERTIES
CRYSTAL-STRUCTURE
SINGLE-CRYSTALS
RB2KMIIIF6 ELPASOLITES
CUBIC PEROVSKITES
TEMPERATURE FORM
HIGH-RESOLUTION
Ключевые слова (''Своб.индексиров.''): crystal atomic structure--crystal growth--crystal lattices--crystallization--crystallography--ferroelectricity--hydrostatic pressure--order disorder transitions--single crystals--thermodynamics--elpasolites--landau theory--perovskite
Аннотация: Many compounds with general chemical formula A2BB?X6 and with tolerance factor value t < 1 crystallize in the elpasolite (ordered perovskite) structure. Different preparative methods have been considered. For example, the Bridgman technique is the most suitable method of growing single crystals of halogenated elpasolites with monoatomic cations. Group-theory and symmetry analyses have allowed us to build a scheme of possible structural distortions connected with octahedral rotations and displacements of ions. Experimental observations have proven that ferroelastic phase transitions occurring most frequently in elpasolites are due to small octahedra tilts. Quantitative analysis allows the possibility of describing these transitions in the framework of the thermodynamic Landau theory. Hydrostatic pressure and the substitution of atoms in different crystallographic sites allow to change significantly the succession and the temperature of phase transitions. The hypothesis of bond stresses is able to predict the possible occurrence of a phase transition for a particular elpasolite and/or the role of the octahedra rotations in the transformation. The mechanism of phase transitions in elpasolites and related compounds has also been considered. One can assume that a displacive mechanism associated with a strong anharmonicity plays a large role in phase transitions occurring in compounds with monoatomic cations. On the other hand, for instance, in cryolites with ammonium cations, the transitions originate from an order-disorder phenomenon. В© 1998 Elsevier Science S.A. All rights reserved.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sidorov K. A., Tikhonov N. V., Ovchinnikov S. G.
Заглавие : Exact solution for the thermodynamics of the one-dimensional Hubbard model with infinite repulsion in a magnetic field
Коллективы : Russian Federation Ministry of Education and Science [SFU 2014 GF-2]; Presidium of the Russian Academy of Sciences [20.7]; Program for Supporting Leading Scientific Schools [NSh-1044.2012.2]; Russian Foundation [10-02-00251]; Siberian Federal University [NF-11]
Место публикации : Theor. Math. Phys.: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 180, Is. 1. - P.835-849. - ISSN 0040-5779, DOI 10.1007/s11232-014-0183-9. - ISSN 1573-9333
Примечания : Cited References: 8. - This work was supported in part by the Russian Federation Ministry of Education and Science (State Order SFU 2014 GF-2), the Presidium of the Russian Academy of Sciences (Program No. 20.7), the Program for Supporting Leading Scientific Schools (Grant No. NSh-1044.2012.2), the Russian Foundation for Basic Research (Grant No. 10-02-00251), and the Siberian Federal University (Internal Grant No. NF-11).
Предметные рубрики: FINITE TEMPERATURES
Ключевые слова (''Своб.индексиров.''): hubbard model--magnetic field--infinite repulsion--thermodynamics--exact solution
Аннотация: We demonstrate that in the limit of infinite repulsion in a magnetic field, the canonical partition function of the one-dimensional Hubbard model in the nearest-neighbor approximation factors into the product of partition functions of holons and spinons, which can be calculated exactly. We thus obtain exact numerical dependences of the free energy, entropy, internal energy, specific heat, chemical potential, and magnetic susceptibility on the hole concentration, temperature, and magnetic field induction.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Aleksandrov K. S.
Заглавие : Effect of hydrostatic pressure on phase transitions in perovskite-like ferroelastics
Коллективы : Russian-Japanese symposium on ferroelectricity
Место публикации : Ferroelectrics: Proceedings of the 1994 5th Russian-Japanese Symposium on Ferroelectricity. Part 2 (of 2). - 1995. - Vol. 169, Is. 1. - P.199-205. - ISSN 0015-0193, DOI 10.1080/00150199508217330
Ключевые слова (''Своб.индексиров.''): crystals--hydrostatic pressure--mathematical models--perovskite--phase transitions--pressure effects--thermodynamics--perovskite like ferroelastics--ferroelectric materials
Аннотация: The analysis of hydrostatic pressure influence on ferroelastic phase transitions in three- and two-dimensional perovskite-like crystals is carried out. The nonlinear effects and the change of the dT0/dp sign are discussed on the ground of the thermodynamic theory. Simple model of rigid spheres is used to connect the T0 shift under pressure with the bonds stresses.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Sorokin P. B., Kuzubov A. A.
Заглавие : Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system
Место публикации : Phys. Status Solidi B. - 2008. - Vol. 245, Is. 8. - P.1546-1551. - ISSN 0370-1972, DOI 10.1002/pssb.200844155
Примечания : Cited References: 31
Предметные рубрики: WALLED CARBON NANOTUBES
MOLECULAR-DYNAMICS
ROOM-TEMPERATURE
STORAGE
ENERGY
THERMODYNAMICS
GRAPHITE
DENSITY
POINTS
Аннотация: The process of hydrogen chemical adsorption on platinum cluster/single wall carbon nanotube (CNT) join surfaces is modelled at various temperatures and pressures. For that, the adsorption energy of hydrogen atoms on surfaces of both platinum (111) plate and CNT (5,5) or (8,8) types is calculated by density functional theory with the PBE approximation. At various temperatures the hydrogen atom hopping rate on both platinum and CNT surfaces is calculated by the transition state theory. Furthermore the hydrogen hopping rate from the platinum surface to the attached nanotube is obtained by calculation of the total energy profile. It is proved that hydrogen atoms can migrate easily at the platinum surface at all temperatures, but at the CNT surface they can migrate beginning at 400-500 K. By calculation of chemical potentials of hydrogen in gas or on CNT or platinum cluster surfaces the equilibrium density of adsorbed hydrogen was calculated at different temperatures and pressures. It is established that for all temperatures in the range 300-900 K and for all pressures less than 500 bar, the hydrogen is dissociated and chemically adsorbed on the platinum surface very effectively, but surface site occupation by hydrogen on attached CNT surface is rather small. But if CNT vacancies are present in the tube structure and the temperature is lower then 450 K, hydrogen atoms can be adsorbed effectively enough on these vacancies. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Sorokin P. B.
Заглавие : Density and thermodynamics of hydrogen adsorbed on the surface of single-walled carbon nanotubes
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2006. - Vol. 48, Is. 2. - P402-407. - ISSN 1063-7834, DOI 10.1134/S1063783406020351
Примечания : Cited References: 22
Предметные рубрики: MOLECULAR-DYNAMICS
ROOM-TEMPERATURE
STORAGE
ADSORPTION
H-2
TRANSITIONS
TUBES
Аннотация: A method is proposed for calculating the adsorption of hydrogen in single-walled carbon nanotubes. This method involves solving the Schrodinger equation for a particle (hydrogen molecule) moving in a potential generated by the surrounding hydrogen molecules and atoms forming the wall of the carbon nanotube. The interaction potential for hydrogen molecules is taken in the form of the Silvera-Goldman empirical potential, which adequately describes the experimental data on the interaction between H(2) molecules (including the van der Waals interaction). The interaction of hydrogen molecules with carbon atoms is included in the calculation through the Lennard-Jones potential. The free energy at a nonzero temperature is calculated with allowance made for the phonon contribution, which, in turn, makes it possible to take into account the correlations in the mutual arrangement of the neighboring molecules. The dependences of the total energy, the free energy, and the Gibbs thermodynamic potential on the applied pressure P and temperature T are calculated for adsorbed hydrogen molecules. These dependences are obtained for the first time with due regard for the quantum effects. The pressure and temperature dependences of the hydrogen density m(P, T) are also constructed for the first time.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : ZAMKOVA N. G., ZINENKO V. I.
Заглавие : THERMODYNAMICS OF THE 2-DIMENSIONAL SUPEREXCHANGE MODEL OF MITSUI
Место публикации : Theor. Math. Phys.: PLENUM PUBL CORP, 1989. - Vol. 79, Is. 2. - P530-536. - ISSN 0040-5779, DOI 10.1007/BF01016535
Примечания : Cited References: 14
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Ovchinnikov S. G.
Заглавие : Density and thermodynamics of hydrogen adsorbed inside narrow carbon nanotubes
Разночтения заглавия :авие SCOPUS: Density and Thermodynamics of Hydrogen Adsorbed Inside Narrow Carbon Nanotubes
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2004. - Vol. 46, Is. 3. - P584-589. - ISSN 1063-7834, DOI 10.1134/1.1687883
Примечания : Cited References: 21. - This study was supported by the federal program “Integration,” project no. Б0017
Предметные рубрики: MOLECULAR-DYNAMICS
TRANSITIONS
TRANSPORT
ENERGY
TUBES
Аннотация: A model is proposed for calculating the thermodynamic functions and the equilibrium density of a one-dimensional chain of molecules (atoms) adsorbed inside a narrow nanotube. The model considers both the interaction between introduced atoms (molecules) and their interaction with the nanotube walls. The quantum-mechanical effects resulting in discrete energy levels of a particle and in its smeared position between neighbors are taken into account. In calculating the free energy at a nonzero temperature, the phonon contribution and the particle transitions to excited levels are considered. The model is applied to calculate the thermodynamic parameters of adsorbed hydrogen molecules inside extremely narrow single-wall carbon nanotubes of the (3,3) and (6,0) type. It is shown that external pressure gives rise to a sequence of first-order phase transitions, which change the density of adsorbed hydrogen molecules. (C) 2004 MAIK "Nauka / Interperiodica".
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