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91.
It is suggested that the question of existence of a jamming phase transition in a broad class of single-lane cellular-automaton traffic models may be studied using a correspondence to the asymmetric chipping model. In models where such correspondence is applicable, jamming phase transition does not take place. Rather, the system exhibits a smooth crossover between free-flow and jammed states, as the car density is increased. 相似文献
92.
We study the elastic responses of double-(ds) and single-stranded (ss) DNA at external force fields. A double-strand-polymer
elastic model is constructed and solved by path integral methods and Monte Carlo simulations to understand the entropic elasticity,
cooperative extensibility, and supercoiling property of dsDNA. The good agreement with experiments indicates that short-ranged
base-pair stacking interaction is crucial for the stability and the high deformability of dsDNA. Hairpin-coil transition in
ssDNA is studied with generating function method. A threshold force is needed to pull the ssDNA hairpin patterns, stabilized
by base pairing and base-pair stacking, into random coils. This phase transition is predicted to be of first order for stacking
potential higher than some critical level, in accordance with experimental observations. 相似文献
93.
The crystal structure of [N(CH3)4]3[As2Cl9] is determined at 293 K. It crystallizes in trigonal space group P31c: a = 9.2199(8), c = 21.065(3)Å, Z = 2, R1 = 0.0505, wR2 = 0.1283. The crystal is built of the discrete bioctahedral [As2Cl9]3— anions and the deformed tetramethylammonium cations. A structural phase transition in [N(CH3)4]3[As2Cl9] is detected by the DSC and dilatometric techniques at 146/151 K (on cooling/heating). Dielectric relaxation studies in the frequency range 75 kHz — 5 MHz indicate reorientations of the tetramethylammonium cations within the high temperature phase. Optical observations show the existence of the ferroelastic domain structure below 146 K. The possible mechanism of phase transition is discussed on the basis of the presented results. 相似文献
94.
I. Iovel L. Golomba J. Popelis S. Grinberga E. Lukevics 《Chemistry of Heterocyclic Compounds》2003,39(1):49-55
The addition of hydrosilanes (HSiEt3, HSiMe2Ph, H2SiPh2) to the CH=N bond of heterocyclic azomethines has been studied in the presence of monovalent complexes of rhodium and palladium. The effect on the reaction of the CF3 group of the aldimines, which were obtained from O-, S-, and N-heteroaromatic aldehydes and 2-trifluoromethylaniline, has been clarified, as were other regularities of the processes being studied. A series of corresponding furans, thiophenes, and pyridine amines has been synthesized. 相似文献
95.
5‐Methylene‐2‐oxazolidinone (1) and 5‐methylene‐1,3‐thiazolidine‐2‐thione (4) react with various isocyanates to give the corresponding urethanes 3 and 5 in high yields in the presence of palladium(0) or palladium(II) catalyst under mild reaction conditions. A mechanism is proposed. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
96.
利用相干渡越辐射(CTR)测量短和超短电子束团长度是国际上束测领域新发展的频域测量技术.文中理论分析和数值计算了北京自由电子激光装置的皮秒级的射频电子束团序列产生的CTR,当辐射波长在长于束长(4ps)时,渡越辐射发生相干增强效应;与非相干渡越辐射相比,当λ≥2πσz时,增强的倍数约等于束团中粒子的数目(108);CTR从亚毫米波到毫米波段呈宽带连续谱特性;渡越辐射能量主要集中在轴线附近,宏脉冲辐射能量高达几毫焦.设计采用偏振型束团长度测量系统,利用CTR自相关技术,实验测量该束团序列的纵向长度,并藉助傅里叶变换光谱法,推求束团电子分布. 相似文献
97.
用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1~ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1~ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多 相似文献
98.
通过解析推导和数值计算的方法,得到了平衡态指向矢满足的微分方程和边界条件.研究了表面弹性能K13项对磁场作用下的弱锚定向列液晶盒Fréedericksz转变性质的影响.结果表明,表面弹性能K13项的存在对液晶系统的自由能有很大的影响,从而改变转变的性质,诱导液晶盒在阈值点发生一级Fréedericksz转变.给出了发生一级转变的物理条件,它除了与液晶的结构和材料有关外,还依赖于液晶表面弹性能K13项,同时给出了由此判断K13项是否存在的检验方法.
关键词:
表面弹性能K13项
弱锚定
Fréedericksz转变 相似文献
99.
S. S. Yarovoi S. F. Solodovnikov Z. A. Solodovnikova Yu. V. Mironov V. E. Fedorov 《Journal of Structural Chemistry》2006,47(1):97-101
A cluster complex of the composition [Th(DMSO)8Cl][Re6Se7Cl7] has been obtained by interaction of ThCl4 solution in DMSO with a water solution of K3[Re6Se7Cl7] and KCl. The compound crystallizes in the rhombic space group Pbcm with unit cell parameters a = 12.262(2) Å, b = 19.653(6) Å, c = 23.603(6) Å, V = 5688(2) Å3, Z = 4, d calc = 3.282 g/cm3. The structure is built from centrosymmetric cluster anions [Re6Se7Cl7]3? and complex cations [Th(DMSO)8Cl]3+ possessing mirror-plane symmetry, half of the DMSO ligands being doubly disordered. 相似文献
100.
The use of liquid fuels such as kerosene is of interest for the pulse detonation engine (PDE). Within this context, the aim
of this work, which is a preliminary study, was to show the feasibility to initiate a detonation in air with liquid-fuel pyrolysis
products, using energies and dimensions of test facility similars to those of PDEs. Therefore, two liquids fuels have been
compared, JP10, which is a synthesis fuel generally used in the field of missile applications, and decane, which is one of
the major components of standard kerosenes (F-34, Jet A1, ...). The thermal degradation of these fuels was studied with two
pyrolysis processes, a batch reactor and a flow reactor. The temperatures varied from 600°C to 1,000°C and residence times
for the batch reactor and the flow reactor were, respectively, between 10–30 s and 0.1–2 s. Subsequently, the detonability
of synthetic gaseous mixtures, which was a schematisation of the decomposition state after the pyrolysis process, has been
studied. The detonability study, regarding nitrogen dilution and equivalence ratio, was investigated in a 50 mm-diameter,
2.5 m-long detonation tube. These dimensions are compatible with applications in the aircraft industry and, more particularly,
in PDEs. Therefore, JP10 and decane were compared to choose the best candidate for liquid-fuel PDE studies.
This paper was based on work that was presented at the 20th International Colloquium on the Dynamics of Explosions and Reactive
Systems, Montreal, Canada, July 31 – August 5, 2005. 相似文献