292 research outputs found
Comment on "Large Difference in the Elastic Properties of fcc and hcp Hard-Sphere Crystals"
As is well known, hard-sphere crystals of the fcc and hcp type differ very
little in their thermodynamic properties. Nonetheless, recent computer
simulations by Pronk and Frenkel indicate that the elastic response to
mechanical deformation of the two types of crystal should be quite different.
By invoking a geometrical argument put forward by R. Martin some time ago, we
suggest that this is largely due to the different symmetries of the fcc and hcp
crystal structures. Indeed, we find that elastic constants obtained by means of
computer simulations for the fcc hard-sphere crystal can be mapped onto the
equivalent ones of the hcp crystal to very high accuracy. The same procedure
applied to density functional theoretical predictions for the elastic
properties of the fcc hard-sphere crystal also produces remarkably accurate
predictions for those of the hcp hard-sphere crystal.Comment: 7 pages, 5 figure
Density functional theory for the elastic moduli of a model polymeric solid
We apply a recently developed density functional theory for freely hinged, hard polymeric chains to calculate the elastic moduli of an idealized polymeric solid lacking long-range bond order. We find that for such a model packing effects dominate the elastic behavior of the polymeric solid in a similar way as is the case in the hard-sphere crystal, which we reexamine. Our calculations show that the elastic stiffness of the model polymeric solid is essentially determined by how far one is removed from its melting point. The main role of the chain connectivity is to destabilize the solid relative to the equivalent solid of hard monomers. Comparison of our results with experimental data on semicrystalline polymers shows order-of-magnitude agreement
Brief view in the development of agricultural sector: space information technologies
Modern development of agricultural industry is impossible without the use of innovations and technological solutions, the comprehensive implementation of which helps to save resources, reduce the cost of agri-food products, and increase the volumes and efficiency of agricultural production, which affects investment
ΠΡΠΈΡ ΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΠΉ ΠΎΡΠ±ΠΎΡ Π² ΠΈΠ³ΡΠΎΠ²ΡΡ Π²ΠΈΠ΄Π°Ρ ΡΠΏΠΎΡΡΠ° Π½Π° ΠΏΡΠΈΠΌΠ΅ΡΠ΅ Π±Π°ΡΠΊΠ΅ΡΠ±ΠΎΠ»Π°
For the first time, an integrated approach based on the assessment of the technical and tactical skills of basketball players in combination with the psychological selection was used for selectionthe candidates for the Ukrainian cadet team. From the 144 athletes, who participated in the Ukrainian Championship, 36 players were selected based on the level of technical and tactical skills. According to the results of the psychological tests main characteristics of basketball players were defended and recommendations for coaches were given. As a result, 18 players, who were selected using psychological methods, had better technical and tactical mastery. They took part in the training process for preparation for the main competitions of the year (European Championship).ΠΠΏΠ΅ΡΡΠ΅ Π·Π°ΡΡΠΎΡΠΎΠ²Π°Π½ΠΎ ΠΊΠΎΠΌΠΏΠ»Π΅ΠΊΡΠ½ΠΈΠΉ ΠΏΡΠ΄Ρ
ΡΠ΄ Π½Π° ΠΎΡΠ½ΠΎΠ²Ρ ΠΎΡΡΠ½ΠΊΠΈ ΡΠ΅Ρ
Π½ΡΠΊΠΎ-ΡΠ°ΠΊΡΠΈΡΠ½ΠΎΡ ΠΌΠ°ΡΡΠ΅ΡΠ½ΠΎΡΡΡ Π±Π°ΡΠΊΠ΅ΡΠ±ΠΎΠ»ΡΡΡΡΠ² Π² ΠΏΠΎΡΠ΄Π½Π°Π½Π½Ρ Π· ΠΏΡΠΈΡ
ΠΎΠ»ΠΎΠ³ΡΡΠ½ΠΈΠΌ Π²ΡΠ΄Π±ΠΎΡΠΎΠΌ ΠΊΠ°Π½Π΄ΠΈΠ΄Π°ΡΡΠ² Ρ ΠΊΠ°Π΄Π΅ΡΡΡΠΊΡ Π·Π±ΡΡΠ½Ρ ΠΊΠΎΠΌΠ°Π½Π΄Ρ Π£ΠΊΡΠ°ΡΠ½ΠΈ Π΄Π»Ρ ΠΏΡΠΎΠ²Π΅Π΄Π΅Π½Π½Ρ Π½Π°Π²ΡΠ°Π»ΡΠ½ΠΎ-ΡΡΠ΅Π½ΡΠ²Π°Π»ΡΠ½ΠΈΡ
Π·Π±ΠΎΡΡΠ². ΠΡ 144 ΡΠΏΠΎΡΡΡΠΌΠ΅Π½ΡΠ², ΡΠΊΡ Π±ΡΠ°Π»ΠΈ ΡΡΠ°ΡΡΡ Ρ ΡΠ΅ΠΌΠΏΡΠΎΠ½Π°ΡΡ Π£ΠΊΡΠ°ΡΠ½ΠΈ, Π²ΡΠ΄ΡΠ±ΡΠ°Π½ΠΎ 36 Π³ΡΠ°Π²ΡΡΠ² ΠΏΠΎ ΡΠ΅Π·ΡΠ»ΡΡΠ°ΡΠ°ΠΌ Π²ΠΈΠ·Π½Π°ΡΠ΅Π½Π½Ρ ΡΡΠ²Π½Ρ ΡΠ΅Ρ
Π½ΡΠΊΠΎ-ΡΠ°ΠΊΡΠΈΡΠ½ΠΎΡ ΠΌΠ°ΠΉΡΡΠ΅ΡΠ½ΠΎΡΡΡ. ΠΠ° ΠΏΡΠ΄ΡΡΠΌΠΊΠ°ΠΌΠΈ ΠΏΡΠΎΠ²Π΅Π΄Π΅Π½ΠΈΡ
Π΄ΠΎΡΠ»ΡΠ΄ΠΆΠ΅Π½Ρ ΠΏΠΎ Π²ΠΈΠ²ΡΠ΅Π½Π½Ρ ΠΏΡΠΈΡ
ΠΎΠ»ΠΎΠ³ΡΡΠ½ΠΈΡ
Ρ
Π°ΡΠ°ΠΊΡΠ΅ΡΠΈΡΡΠΈΠΊ Π±Π°ΡΠΊΠ΅ΡΠ±ΠΎΠ»ΡΡΡΡΠ² Π²ΡΠ΄ΡΠ±ΡΠ°Π½ΠΎ 18 Π³ΡΠ°Π²ΡΡΠ² Π΄Π»Ρ ΠΏΡΠΎΠ²Π΅Π΄Π΅Π½Π½Ρ Π½Π°Π²ΡΠ°Π»ΡΠ½ΠΎ-ΡΡΠ΅Π½ΡΠ²Π°Π»ΡΠ½ΠΎΠ³ΠΎ ΠΏΡΠΎΡΠ΅ΡΡ ΠΏΠΎ ΠΏΡΠ΄Π³ΠΎΡΠΎΠ²ΡΡ Π΄ΠΎ Π³ΠΎΠ»ΠΎΠ²Π½ΠΈΡ
Π·ΠΌΠ°Π³Π°Π½Ρ ΡΠΎΠΊΡ (ΡΠ΅ΠΌΠΏΡΠΎΠ½Π°ΡΡ ΠΠ²ΡΠΎΠΏΠΈ).ΠΠΏΠ΅ΡΠ²ΡΠ΅ Π±ΡΠ» ΠΏΡΠΈΠΌΠ΅Π½Π΅Π½ ΠΊΠΎΠΌΠΏΠ»Π΅ΠΊΡΠ½ΡΠΉ ΠΏΠΎΠ΄Ρ
ΠΎΠ΄ Π½Π° ΠΎΡΠ½ΠΎΠ²Π΅ ΠΎΡΠ΅Π½ΠΊΠΈ ΡΠ΅Ρ
Π½ΠΈΠΊΠΎ-ΡΠ°ΠΊΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΠΌΠ°ΡΡΠ΅ΡΡΡΠ²Π° Π±Π°ΡΠΊΠ΅ΡΠ±ΠΎΠ»ΠΈΡΡΠΎΠ² Π² ΡΠΎΡΠ΅ΡΠ°Π½ΠΈΠΈ Ρ ΠΏΡΠΈΡ
ΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΠΌ ΠΎΡΠ±ΠΎΡΠΎΠΌ ΠΊΠ°Π½Π΄ΠΈΠ΄Π°ΡΠΎΠ² Π² ΠΊΠ°Π΄Π΅ΡΡΠΊΡΡ ΡΠ±ΠΎΡΠ½ΡΡ Π£ΠΊΡΠ°ΠΈΠ½Ρ Π΄Π»Ρ ΠΏΡΠΎΠ²Π΅Π΄Π΅Π½ΠΈΡ ΡΡΠ΅Π±Π½ΠΎ-ΡΡΠ΅Π½ΠΈΡΠΎΠ²ΠΎΡΠ½ΡΡ
ΡΠ±ΠΎΡΠΎΠ². ΠΠ· 144 ΡΠΏΠΎΡΡΡΠΌΠ΅Π½ΠΎΠ², ΠΊΠΎΡΠΎΡΡΠ΅ ΡΡΠ°ΡΡΠ²ΠΎΠ²Π°Π»ΠΈ Π² ΡΠ΅ΠΌΠΏΠΈΠΎΠ½Π°ΡΠ΅ Π£ΠΊΡΠ°ΠΈΠ½Ρ, ΠΎΡΠΎΠ±ΡΠ°Π½ΠΎ 36 ΠΈΠ³ΡΠΎΠΊΠΎΠ² ΠΏΠΎ ΡΠ΅Π·ΡΠ»ΡΡΠ°ΡΠ°ΠΌ ΠΎΠΏΡΠ΅Π΄Π΅Π»Π΅Π½ΠΈΡ ΡΡΠΎΠ²Π½Ρ ΡΠ΅Ρ
Π½ΠΈΠΊΠΎ-ΡΠ°ΠΊΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΠΌΠ°ΡΡΠ΅ΡΡΡΠ²Π°. ΠΠΎ ΠΈΡΠΎΠ³Π°ΠΌ ΠΏΡΠΎΠ²Π΅Π΄Π΅Π½Π½ΡΡ
ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠΉ ΠΏΠΎ ΠΈΠ·ΡΡΠ΅Π½ΠΈΡ ΠΏΡΠΈΡ
ΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΡ
Ρ
Π°ΡΠ°ΠΊΡΠ΅ΡΠΈΡΡΠΈΠΊ Π±Π°ΡΠΊΠ΅ΡΠ±ΠΎΠ»ΠΈΡΡΠΎΠ² ΠΎΡΠΎΠ±ΡΠ°Π½ΠΎ 18 ΠΈΠ³ΡΠΎΠΊΠΎΠ² Π΄Π»Ρ ΠΏΡΠΎΠ²Π΅Π΄Π΅Π½ΠΈΡ ΡΡΠ΅Π±Π½ΠΎ-ΡΡΠ΅Π½ΠΈΡΠΎΠ²ΠΎΡΠ½ΠΎΠ³ΠΎ ΠΏΡΠΎΡΠ΅ΡΡΠ° ΠΏΠΎ ΠΏΠΎΠ΄Π³ΠΎΡΠΎΠ²ΠΊΠ΅ ΠΊ Π³Π»Π°Π²Π½ΡΠΌ ΡΠΎΡΠ΅Π²Π½ΠΎΠ²Π°Π½ΠΈΡΠΌ Π³ΠΎΠ΄Π° (ΡΠ΅ΠΌΠΏΠΈΠΎΠ½Π°ΡΡ ΠΠ²ΡΠΎΠΏΡ)
ΠΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ ΡΠ΅Π½ Π°Π²ΠΈΠ°ΠΏΠ΅ΡΠ΅Π²ΠΎΠ·ΠΎΠΊ ΠΏΠ°ΡΡΠ°ΠΆΠΈΡΠΎΠ²
The pricing policy of airlines is developed based on a retrospective analysis of the price dynamics of air transportation and forecasting the market situation of supply and demand. The price dynamics of passenger air transportation has a certain structure and patterns, the identification of which helps to develop a competitive price offer for consumers.The objective of the work is to determine the structure of price dynamics and identify patterns of price fluctuations in passenger air transportation from 2008 to 2022, which is important to consider when developing the pricing policy of airlines and the range of tariffs. Studies of the price dynamics of airline tickets by econometric methods allowed to identify the structure of the time series of prices and develop several models.The study of the price dynamics structure, first, identified and analysed the seasonal component of the dynamics of airline ticket prices. Its calculation was carried out using additive and multiplicative models. The range of seasonal changes was -8,5% to +12,5%. The autocorrelation function of the dynamics of average monthly prices showed that the time series of airline ticket prices contained a trend. In addition to trend and seasonal components, cyclical fluctuations were identified in the price dynamics, the modelling of which was carried out based on regression analysis. Cyclical changes in the dynamics of air ticket prices, identified from 2008 to the present, are not sustainable.Analysed dynamics revealed several medium-term cycles with a duration of 4β6 years. The cyclical dynamics of air transportation prices largely coincides with the general economic medium-term cycles, but there are time lags or lagging growth and decline rates.Thus, the change in prices for civil air transportation has a natural trend-cyclical character shaped under the influence of fundamental macroeconomic factors and new determinants, the effect of which may result in a stronger change but with shorter impact or lag effect. Additive and multiplicative models will help predict average annual prices.Π¦Π΅Π½ΠΎΠ²Π°Ρ ΠΏΠΎΠ»ΠΈΡΠΈΠΊΠ° Π°Π²ΠΈΠ°ΠΊΠΎΠΌΠΏΠ°Π½ΠΈΠΉ ΡΠ°Π·ΡΠ°Π±Π°ΡΡΠ²Π°Π΅ΡΡΡ Π½Π° ΠΎΡΠ½ΠΎΠ²Π°Π½ΠΈΠΈ ΡΠ΅ΡΡΠΎΡΠΏΠ΅ΠΊΡΠΈΠ²Π½ΠΎΠ³ΠΎ Π°Π½Π°Π»ΠΈΠ·Π° ΡΠ΅Π½ΠΎΠ²ΠΎΠΉ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠΈ Π°Π²ΠΈΠ°ΠΏΠ΅ΡΠ΅Π²ΠΎΠ·ΠΎΠΊ ΠΈ ΠΏΡΠΎΠ³Π½ΠΎΠ·ΠΈΡΠΎΠ²Π°Π½ΠΈΡ ΡΡΠ½ΠΎΡΠ½ΠΎΠΉ ΡΠΈΡΡΠ°ΡΠΈΠΈ ΡΠΏΡΠΎΡΠ° ΠΈ ΠΏΡΠ΅Π΄Π»ΠΎΠΆΠ΅Π½ΠΈΡ. Π¦Π΅Π½ΠΎΠ²Π°Ρ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠ° ΠΏΠ°ΡΡΠ°ΠΆΠΈΡΡΠΊΠΈΡ
Π°Π²ΠΈΠ°ΠΏΠ΅ΡΠ΅Π²ΠΎΠ·ΠΎΠΊ ΠΈΠΌΠ΅Π΅Ρ ΠΎΠΏΡΠ΅Π΄Π΅Π»ΡΠ½Π½ΡΡ ΡΡΡΡΠΊΡΡΡΡ ΠΈ Π·Π°ΠΊΠΎΠ½ΠΎΠΌΠ΅ΡΠ½ΠΎΡΡΠΈ, Π²ΡΡΠ²Π»Π΅Π½ΠΈΠ΅ ΠΊΠΎΡΠΎΡΡΡ
ΠΏΠΎΠΌΠΎΠ³Π°Π΅Ρ ΡΠΎΡΠΌΠΈΡΠΎΠ²Π°ΡΡ ΠΊΠΎΠ½ΠΊΡΡΠ΅Π½ΡΠΎΡΠΏΠΎΡΠΎΠ±Π½ΠΎΠ΅ ΡΠ΅Π½ΠΎΠ²ΠΎΠ΅ ΠΏΡΠ΅Π΄Π»ΠΎΠΆΠ΅Π½ΠΈΠ΅ Π΄Π»Ρ ΠΏΠ°ΡΡΠ°ΠΆΠΈΡΠΎΠ².Π¦Π΅Π»Ρ ΡΠ°Π±ΠΎΡΡ Π·Π°ΠΊΠ»ΡΡΠ°Π΅ΡΡΡ Π² ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠΈ ΡΡΡΡΠΊΡΡΡΡ ΡΠ΅Π½ΠΎΠ²ΠΎΠΉ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠΈ Ρ 2008 Π³ΠΎΠ΄Π° ΠΏΠΎ 2022 Π³ΠΎΠ΄ ΠΈ Π²ΡΡΠ²Π»Π΅Π½ΠΈΠΈ Π·Π°ΠΊΠΎΠ½ΠΎΠΌΠ΅ΡΠ½ΠΎΡΡΠ΅ΠΉ Π΄Π²ΠΈΠΆΠ΅Π½ΠΈΡ ΡΠ΅Π½ Π½Π° ΠΏΠ°ΡΡΠ°ΠΆΠΈΡΡΠΊΠΈΠ΅ Π°Π²ΠΈΠ°ΠΏΠ΅ΡΠ΅Π²ΠΎΠ·ΠΊΠΈ, ΡΡΠΎ Π²Π°ΠΆΠ½ΠΎ ΡΡΠΈΡΡΠ²Π°ΡΡ ΠΏΡΠΈ ΠΎΠΏΡΠ΅Π΄Π΅Π»Π΅Π½ΠΈΠΈ ΡΠ΅Π½ΠΎΠ²ΠΎΠ³ΠΎ ΠΊΡΡΡΠ° ΠΈ Π΄ΠΈΠ°ΠΏΠ°Π·ΠΎΠ½Π° ΡΠ΅Π½ ΡΠ°ΡΠΈΡΠΎΠ². ΠΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΡ ΡΠ΅Π½ΠΎΠ²ΠΎΠΉ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠΈ Π°Π²ΠΈΠ°Π±ΠΈΠ»Π΅ΡΠΎΠ² ΡΠΊΠΎΠ½ΠΎΠΌΠ΅ΡΡΠΈΡΠ΅ΡΠΊΠΈΠΌΠΈ ΠΌΠ΅ΡΠΎΠ΄Π°ΠΌΠΈ ΠΏΠΎΠ·Π²ΠΎΠ»ΠΈΠ»ΠΈ Π²ΡΡΠ²ΠΈΡΡ ΡΡΡΡΠΊΡΡΡΡ Π²ΡΠ΅ΠΌΠ΅Π½Π½ΠΎΠ³ΠΎ ΡΡΠ΄Π° ΡΠ΅Π½ ΠΈ ΡΠ°Π·ΡΠ°Π±ΠΎΡΠ°ΡΡ ΡΡΠ΄ ΠΌΠΎΠ΄Π΅Π»Π΅ΠΉ.ΠΡΠΈ ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠΈ ΡΡΡΡΠΊΡΡΡΡ ΡΠ΅Π½ΠΎΠ²ΠΎΠΉ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠΈ Π² ΠΏΠ΅ΡΠ²ΡΡ ΠΎΡΠ΅ΡΠ΅Π΄Ρ Π±ΡΠ»Π° Π²ΡΠ΄Π΅Π»Π΅Π½Π° ΠΈ ΠΏΡΠΎΠ°Π½Π°Π»ΠΈΠ·ΠΈΡΠΎΠ²Π°Π½Π° ΡΠ΅Π·ΠΎΠ½Π½Π°Ρ ΠΊΠΎΠΌΠΏΠΎΠ½Π΅Π½ΡΠ°, ΡΠ°ΡΡΡΡ ΠΊΠΎΡΠΎΡΠΎΠΉ ΠΏΡΠΎΠ²ΠΎΠ΄ΠΈΠ»ΡΡ ΠΏΠΎ Π°Π΄Π΄ΠΈΡΠΈΠ²Π½ΡΠΌ ΠΈ ΠΌΡΠ»ΡΡΠΈΠΏΠ»ΠΈΠΊΠ°ΡΠΈΠ²Π½ΡΠΌ ΠΌΠΎΠ΄Π΅Π»ΡΠΌ. ΠΠΈΠ°ΠΏΠ°Π·ΠΎΠ½ ΡΠ΅Π·ΠΎΠ½Π½ΡΡ
ΠΈΠ·ΠΌΠ΅Π½Π΅Π½ΠΈΠΉ ΡΠΎΡΡΠ°Π²Π»ΡΠ΅Ρ -8,5 % Π΄ΠΎ +12,5 %. ΠΠ²ΡΠΎΠΊΠΎΡΡΠ΅Π»ΡΡΠΈΠΎΠ½Π½Π°Ρ ΡΡΠ½ΠΊΡΠΈΡ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠΈ ΡΡΠ΅Π΄Π½Π΅ΠΌΠ΅ΡΡΡΠ½ΡΡ
ΡΠ΅Π½ ΠΏΠΎΠΊΠ°Π·Π°Π»Π°, ΡΡΠΎ Π²ΡΠ΅ΠΌΠ΅Π½Π½ΠΎΠΉ ΡΡΠ΄ ΡΠ΅Π½ Π½Π° Π°Π²ΠΈΠ°Π±ΠΈΠ»Π΅ΡΡ ΡΠΎΠ΄Π΅ΡΠΆΠΈΡ ΡΡΠ΅Π½Π΄. ΠΡΠΎΠΌΠ΅ ΡΡΠ΅Π½Π΄ΠΎΠ²ΡΡ
ΠΈ ΡΠ΅Π·ΠΎΠ½Π½ΡΡ
ΠΊΠΎΠΌΠΏΠΎΠ½Π΅Π½Ρ Π² Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠ΅ ΡΠ΅Π½ Π²ΡΠ΄Π΅Π»Π΅Π½Ρ ΡΠΈΠΊΠ»ΠΈΡΠ΅ΡΠΊΠΈΠ΅ ΠΊΠΎΠ»Π΅Π±Π°Π½ΠΈΡ, ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ ΠΊΠΎΡΠΎΡΡΡ
ΠΏΡΠΎΠ²ΠΎΠ΄ΠΈΠ»ΠΎΡΡ Π½Π° ΠΎΡΠ½ΠΎΠ²Π΅ ΡΠ΅Π³ΡΠ΅ΡΡΠΈΠΎΠ½Π½ΠΎΠ³ΠΎ Π°Π½Π°Π»ΠΈΠ·Π°. Π¦ΠΈΠΊΠ»ΠΈΡΠ΅ΡΠΊΠΈΠ΅ ΠΈΠ·ΠΌΠ΅Π½Π΅Π½ΠΈΡ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠΈ ΡΠ΅Π½ Π½Π° Π°Π²ΠΈΠ°Π±ΠΈΠ»Π΅ΡΡ, Π²ΡΡΠ²Π»Π΅Π½Π½ΡΡ
Ρ 2008 Π³ΠΎΠ΄Π° ΠΏΠΎ Π½Π°ΡΡΠΎΡΡΠ΅Π΅ Π²ΡΠ΅ΠΌΡ, Π½Π΅ ΠΈΠΌΠ΅ΡΡ ΡΡΡΠΎΠΉΡΠΈΠ²ΠΎΠ³ΠΎ Ρ
Π°ΡΠ°ΠΊΡΠ΅ΡΠ°.Π Π°Π½Π°Π»ΠΈΠ·ΠΈΡΡΠ΅ΠΌΠΎΠΉ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠ΅ Π²ΡΠ΄Π΅Π»Π΅Π½ΠΎ Π½Π΅ΡΠΊΠΎΠ»ΡΠΊΠΎ ΡΡΠ΅Π΄Π½Π΅ΡΡΠΎΡΠ½ΡΡ
ΡΠΈΠΊΠ»ΠΎΠ² ΠΏΡΠΎΠ΄ΠΎΠ»ΠΆΠΈΡΠ΅Π»ΡΠ½ΠΎΡΡΡΡ 4β6 Π»Π΅Ρ. Π¦ΠΈΠΊΠ»ΠΈΡΠ½ΠΎΡΡΡ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠΈ ΡΠ΅Π½ Π½Π° Π°Π²ΠΈΠ°ΠΏΠ΅ΡΠ΅Π²ΠΎΠ·ΠΊΠΈ Π²ΠΎ ΠΌΠ½ΠΎΠ³ΠΎΠΌ ΡΠΎΠ²ΠΏΠ°Π΄Π°Π΅Ρ Ρ ΠΎΠ±ΡΠ΅ΡΠΊΠΎΠ½ΠΎΠΌΠΈΡΠ΅ΡΠΊΠΈΠΌΠΈ ΡΡΠ΅Π΄Π½Π΅ΡΡΠΎΡΠ½ΡΠΌΠΈ ΡΠΈΠΊΠ»Π°ΠΌΠΈ, Π½ΠΎ ΠΏΡΠΈΡΡΡΡΡΠ²ΡΡΡ Π²ΡΠ΅ΠΌΠ΅Π½Π½ΡΠ΅ Π»Π°Π³ΠΈ Π·Π°ΠΏΠ°Π·Π΄ΡΠ²Π°Π½ΠΈΡ ΠΈΠ»ΠΈ ΠΎΡΡΡΠ°Π²Π°Π½ΠΈΠ΅ ΡΠ΅ΠΌΠΏΠΎΠ² ΡΠΎΡΡΠ° ΠΈΠ»ΠΈ ΡΠ½ΠΈΠΆΠ΅Π½ΠΈΡ.Π’Π°ΠΊΠΈΠΌ ΠΎΠ±ΡΠ°Π·ΠΎΠΌ, ΠΈΠ·ΠΌΠ΅Π½Π΅Π½ΠΈΠ΅ ΡΠ΅Π½ Π½Π° Π³ΡΠ°ΠΆΠ΄Π°Π½ΡΠΊΠΈΠ΅ Π°Π²ΠΈΠ°ΠΏΠ΅ΡΠ΅Π²ΠΎΠ·ΠΊΠΈ ΠΈΠΌΠ΅Π΅Ρ Π·Π°ΠΊΠΎΠ½ΠΎΠΌΠ΅ΡΠ½ΡΠΉ ΡΡΠ΅Π½Π΄ΡΠΈΠΊΠ»ΠΈΡΠ΅ΡΠΊΠΈΠΉ Ρ
Π°ΡΠ°ΠΊΡΠ΅Ρ, ΡΠΎΡΠΌΠΈΡΡΡΡΠΈΠΉΡΡ ΠΏΠΎΠ΄ Π΄Π΅ΠΉΡΡΠ²ΠΈΠ΅ΠΌ ΡΡΠ½Π΄Π°ΠΌΠ΅Π½ΡΠ°Π»ΡΠ½ΡΡ
ΠΌΠ°ΠΊΡΠΎΡΠΊΠΎΠ½ΠΎΠΌΠΈΡΠ΅ΡΠΊΠΈΡ
ΡΠ°ΠΊΡΠΎΡΠΎΠ² ΠΈ Π½ΠΎΠ²ΡΡ
Π΄Π΅ΡΠ΅ΡΠΌΠΈΠ½Π°Π½Ρ, Π΄Π΅ΠΉΡΡΠ²ΠΈΠ΅ ΠΊΠΎΡΠΎΡΡΡ
ΠΌΠΎΠΆΠ΅Ρ Π²ΡΠ·ΡΠ²Π°ΡΡ Π±ΠΎΠ»Π΅Π΅ ΡΠΈΠ»ΡΠ½ΠΎΠ΅ ΠΈΠ·ΠΌΠ΅Π½Π΅Π½ΠΈΠ΅, Π½ΠΎ Ρ ΠΊΡΠ°ΡΠΊΠΈΠΌ ΠΏΠ΅ΡΠΈΠΎΠ΄ΠΎΠΌ Π²ΠΎΠ·Π΄Π΅ΠΉΡΡΠ²ΠΈΡ, ΠΈΠ»ΠΈ Π»Π°Π³ΠΎΠ²ΠΎΠ΅ Π²Π»ΠΈΡΠ½ΠΈΠ΅. ΠΠ΄Π΄ΠΈΡΠΈΠ²Π½ΡΠ΅ ΠΈ ΠΌΡΠ»ΡΡΠΈΠΏΠ»ΠΈΠΊΠ°ΡΠΈΠ²Π½ΡΠ΅ ΠΌΠΎΠ΄Π΅Π»ΠΈ ΠΏΠΎΠΌΠΎΠ³ΡΡ ΡΠΏΡΠΎΠ³Π½ΠΎΠ·ΠΈΡΠΎΠ²Π°ΡΡ ΡΡΠ΅Π΄Π½Π΅Π³ΠΎΠ΄ΠΎΠ²ΡΠ΅ ΡΠ΅Π½Ρ Π°Π²ΠΈΠ°ΡΠ°ΡΠΈΡΠΎΠ²
Dynamical chaos and power spectra in toy models of heteropolymers and proteins
The dynamical chaos in Lennard-Jones toy models of heteropolymers is studied
by molecular dynamics simulations. It is shown that two nearby trajectories
quickly diverge from each other if the heteropolymer corresponds to a random
sequence. For good folders, on the other hand, two nearby trajectories may
initially move apart but eventually they come together. Thus good folders are
intrinsically non-chaotic. A choice of a distance of the initial conformation
from the native state affects the way in which a separation between the twin
trajectories behaves in time. This observation allows one to determine the size
of a folding funnel in good folders. We study the energy landscapes of the toy
models by determining the power spectra and fractal characteristics of the
dependence of the potential energy on time. For good folders, folding and
unfolding trajectories have distinctly different correlated behaviors at low
frequencies.Comment: 8 pages, 9 EPS figures, Phys. Rev. E (in press
Spin Fluctuation-Induced Superconductivity in Organic Compounds
Spin fluctuation-induced superconductivity in two-dimensional organic
compounds such as \kappa-(ET)_2-X is investigated by using a simplified dimer
Hubbard model with right-angled isosceles triangular lattice (transfer matrices
-\tau, -\tau^\prime). The dynamical susceptiblity and the self-energy are
calculated self-consistently within the fluctuation exchange approximation and
the value for T_c as obtained by solving the linearized Eliashberg-type
equations is in good agreement with experiment. The pairing symmetry is of
d_{x^2-y^2} type. The calculated (U/\tau)-dependence of T_c compares
qualitatively well with the observed pressure dependence of T_c. Varying the
value for \tau^\prime/\tau from 0 to 1 we interpolate between the square
lattice and the regular triangular lattice and find firstly that values of T_c
for \kappa-(ET)_2-X and cuprates scale well and secondly that T_c tends to
decrease with increasing \tau^\prime/\tau and no superconductivity is found for
\tau^\prime/\tau=1, the regular triangular lattice.Comment: 4 pages, 6 eps figures, uses jpsj.st
Modelling charge self-trapping in wide-gap dielectrics: Localization problem in local density functionals
We discuss the adiabatic self-trapping of small polarons within the density
functional theory (DFT). In particular, we carried out plane-wave
pseudo-potential calculations of the triplet exciton in NaCl and found no
energy minimum corresponding to the self-trapped exciton (STE) contrary to the
experimental evidence and previous calculations. To explore the origin of this
problem we modelled the self-trapped hole in NaCl using hybrid density
functionals and an embedded cluster method. Calculations show that the
stability of the self-trapped state of the hole drastically depends on the
amount of the exact exchange in the density functional: at less than 30% of the
Hartree-Fock exchange, only delocalized hole is stable, at 50% - both
delocalized and self-trapped states are stable, while further increase of exact
exchange results in only the self-trapped state being stable. We argue that the
main contributions to the self-trapping energy such as the kinetic energy of
the localizing charge, the chemical bond formation of the di-halogen quasi
molecule, and the lattice polarization, are represented incorrectly within the
Kohn-Sham (KS) based approaches.Comment: 6 figures, 1 tabl
Perturbation Theory on the Transition Temperature and Electronic Properties of Organic Superconductor
We study the superconducting transition temperature and the electronic
properties of the metallic phase of -type (BEDT-TTF)X which shows
unconventional properties in experiments, on the basis of the third order
perturbation theory for a simple effective Hubbard model of a nearly triangular
lattice. Appropriate transition temperatures and symmetry of the
gap function are obtained in good agreement with experimental results. We also
calculate the transition temperature by the fluctuation-exchange
approximation(FLEX) in order to compare the two approaches; FLEX gives higher
transition temperatures rather than the perturbation approach. However, it is
also found that the vertex corrections, which are ignored in FLEX, have a
crucial effect on for strongly frustrated systems. The density of
states and the normal self-energy calculated in this perturbation scheme show
the nature of the conventional Fermi liquid near the Mott-insulator. Thus, our
perturbation approach is applicable to the conventional metallic phase of this
compound, while it cannot explain the (pseudo-)spin gap phenomenon which
signals the non-Fermi liquid
Magnetic Phase Diagram and Metal-Insulator Transition of NiS2-xSex
Magnetic phase diagram of NiS2-xSex has been reexamined by systematic studies
of electrical resistivity, uniform magnetic susceptibility and neutron
diffraction using single crystals grown by a chemical transport method. The
electrical resistivity and the uniform magnetic susceptibility exhibit the same
feature of temperature dependence over a wide Se concentration. A distinct
first order metal-insulator (M-I) transition accompanied by a volume change was
observed only in the antiferromagnetic ordered phase for 0.50<x<0.59. In this
region, the M-I transition makes substantial effects to the thermal evolution
of staggered moments. In the paramagnetic phase, the M-I transition becomes
broad; both the electrical resistivity and the uniform magnetic susceptibility
exhibit a broad maximum around the temperatures on the M-I transition-line
extrapolated to the paramagnetic phase.Comment: 6 pages, 8 figures, corrected EPS fil
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