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Monte Carlo simulation within the grand canonical ensemble, the histogram reweighting technique, and finite size scaling analysis are used to explore the phase behaviour of heteronuclear dimers, composed of A and B type atoms, on a square lattice. We have found that for the models with attractive BB and AB nearest-neighbour energy, uBB=uAB=−1, and for non-repulsive energy between AA nearest-neighbour sites, uAA<0, the system belongs to the universality class of the two-dimensional Ising model. However, when uAA>0, the system exhibits a non-universal critical behaviour. We have evaluated the dependences of the critical point characteristics on the value of uAA. 相似文献
3.
ZHANG WenlingDepartment of Mathematics Physics National Natural Science Foundation of China Beijing China 《中国科学A辑(英文版)》2004,(6)
We use qualitative analysis and numerical simulation to study peaked traveling wave solutions of CH-γ and CH equations. General expressions of peakon and periodic cusp wave solutions are obtained. Some previous results become our special cases. 相似文献
4.
Hiroshi Noguchi Masanori Ueda Yoshinobu Baba Masako Takasu 《Journal of Polymer Science.Polymer Physics》2003,41(12):1316-1322
The electrophoresis of DNA chains in uncrosslinked polymer solutions with a Brownian dynamics simulation with an anisotropic friction tensor was analyzed. According to the degree of anisotropy, three types of migration behavior are obtained: fluctuation without or with periodicity between U‐shaped and compact conformations, or migration with linear conformation. We found good agreement between our simulation results and the direct observations of DNA by fluorescence microscopy. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 1316–1322, 2003 相似文献
5.
Katsunari Inoue Kazuaki Kato Norimitsu Tohnai Mikiji Miyata 《Journal of polymer science. Part A, Polymer chemistry》2004,42(18):4648-4655
We studied simulations by computer graphics to estimate the steric mechanism of the asymmetric polymerization of prochiral diene monomers in channels of inclusion compounds of steroidal bile acids, such as deoxycholic acid (DCA) and cholic acid. We applied a hierarchization method to interpret the crystal structures of bile acids, clarifying that the chiral host molecules associated to form characteristic 21-helical assemblies with uneven surfaces. A detailed analysis of the uneven channels in a close-packing state indicated that there were many possible arrangements of the monomers in the channels. The plausible arrangements in the channel could explain a previous study, which showed that the polymerization in the DCA channel yielded chiral polymers with a predominant configuration from prochiral diene monomers, such as 2-methyl-trans-1,3-pentadiene. On the basis of such simulation studies of the arrangements of guest monomers in the channel, we examined a plausible steric mechanism for asymmetric inclusion polymerization. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4648–4655, 2004 相似文献
6.
According to a multiphase mixture theory, we have mathematically developed a multiphysical model with chemoelectromechanical coupling considerations, termed the multieffect‐coupling electric‐stimulus (MECe) model, to simulate the responsive behavior of electric‐sensitive hydrogels immersed in a bath solution under an externally applied electric field. For solutions of the MECe model consisting of coupled nonlinear partial differential governing equations, a meshless Hermite–Cloud method with a hierarchical iteration technique has been used for a one‐dimensional steady‐state analysis of a hydrogel strip. The computed results are compared with the experimental data, and there is very good agreement. Simulations within the domains of both hydrogels and surrounding solutions also present distributions of the ionic concentrations and electric potential as well as the hydrogel displacement. The effects of various physical parameters on the response behavior of electric‐stimulus responsive hydrogels are discussed in detail. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 1514–1531, 2004 相似文献
7.
Per B. Zetterlund Kazuki Miyake Kunihiro Goto Bunichiro Yamada 《Journal of polymer science. Part A, Polymer chemistry》2004,42(11):2640-2650
A detailed investigation of addition–fragmentation chain transfer (AFCT) in the free‐radical polymerization of methyl methacrylate (MMA) in the presence of methyl α‐(bromomethyl)acrylate (MBMA) was carried out to elucidate mechanistic details with efficient macromonomer synthesis as an underlying goal. Advanced modeling techniques were used in connection with the experimental work. Curve fitting of simulated and experimental molecular weight distributions with respect to the rate coefficient for addition of propagating radicals to MBMA (kadd) over 60–120 °C resulted in Eadd = 21.7 kJ mol?1 and Aadd = 2.18 × 106 M?1 s?1 and a very weak temperature dependence of the chain‐transfer constant (Eadd ≈ Ep). The rate coefficient for fragmentation of adduct radicals at 60 °C was estimated as kf ≈ 39 s?1 on the basis of experimental data of the MMA conversion and the concentration of 2‐carbomethoxy‐2‐propenyl end groups. The approach developed is generic and can be applied to any AFCT system in which copolymerization does not occur and in which the resulting unsaturated end groups do not undergo further reactions. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 2640–2650, 2004 相似文献
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9.
HANXI'AN HUANGXILI 《高校应用数学学报(英文版)》1998,13(4):445-450
For two rational quadratic B-spline curves with same control vertexes, the cross ratio of four eollinear points are represented; which are any one of the vertexes, and the two points that the ray initialing from the vertex intersects with the corresponding segments of the twocurves, and the point the ray intersecting with the connecting line between the two neighboring vertexes. Different from rational quadratic Beeier curves, the value is generally related with the loeation of the ray, and the necessary and sufficient condition o5 the ratio being independent of the ray‘s loeation is showed. Alsn another cross ratio o5 the following four collinear points are suggested, i.e. one vertex, the points that the ray from the initlal vertex intersects respectivdy with the curve segmentt the line connecting the segments end points, and the line connecting the two neighboring vertexes. This cross ratio is concerned only whh the ray‘s location, butnot with the weights of the curve. Furthermore, the cross ratio is projective invariant under the projective transformation between the two segments. 相似文献
10.
Kj?rand Iversen Per Nilsson 《International Journal of Computers for Mathematical Learning》2007,12(2):113-133
This paper focuses on the different ways in which students in lower secondary school (14–16 year olds) experience compound
random events, presented to them in the form of combined junctions. A carefully designed ICT environment was developed enabling
the students to interact with different representations of such structures. Data for the analysis was gathered from two interview
sessions. The analysis of the interaction is based on constructivist principles on learning; i.e. we adopted a student-oriented
perspective, taking into consideration the different ways students try to make sense of chance encounters.
Our results show how some students give priority to geometrical and physical concerns, and we discuss how seeking causal explanations
of random phenomena may have encouraged this. With respect to numerically oriented models a division strategy appears to stand
out as the preferred one. 相似文献