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51.
Stela Andrea Muntean Hubertus M. J. M. Wedershoven Roman A. Gerasimov Alexey V. Lyulin 《Macromolecular theory and simulations》2012,21(2):90-97
The united atoms (UA) and dummy hydrogen atom (DHA) approaches for molecular dynamics simulations of the interface between oxidized atactic polystyrene (aPS) thin films and water are compared. For both oxidized and non‐oxidized aPS films the polymer density profile decays steepest when using the UA model. The surface roughness of the aPS film and the ordering of the phenyl rings near the surface decrease upon changing from vacuum to water for the UA, but not for the DHA model. This also supports the fact that the non‐oxidized aPS films modeled in DHA representation become less hydrophobic. The water structure close to the interface also suggests that the aPS films modeled using UA are more hydrophobic compared to the aPS films modeled with DHA in the phenyl rings.
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We investigate the thermoelectric properties of GaN with p-and n-type doping by the first principles calculation and the semi-classical Boltzmann theory. We find that the power factors (S2σof p-type GaN (-3500 W/mK2) is about twice that of the n-type (-1750 W/mK2), which indicates the thermoelectric properties of p-type GaN would be better. Thermal conductivity of GaN crystal decreases rapidly as the temperature increases, but it is still too large for thermoelectric applications. The figure of merit (ZT) estimated at 1500 K is 0.134 for p-type GaN crystal and 0.062 for the n-type. 相似文献
54.
Cristina M. Muntean Nicolae Leopold Adela Halmagyi Sergiu Valimareanu 《Journal of Raman spectroscopy : JRS》2011,42(4):844-850
Ultrasensitive Raman measurements of nucleic acids are possible by exploiting the effect of surface‐enhanced Raman scattering (SERS). In this work, the vibrational spectra of eight genomic DNAs from in vitro grown apple leaf tissues (Malus domestica Borkh., Fam Rosaceae, cvs. Florina, Idared, Rebra, Goldrush, Romus 3, Romus 4 and the rootstocks M9 and M26) were analyzed using surface‐enhanced Raman spectroscopy, in the wavenumber range 200–1800 cm−1. SERS signatures, spectroscopic band assignments and structural interpretations of these plant genomic DNAs are reported. Strong dependences of the SERS spectra on genomic DNA amount in the measured sample volume and on time were observed. Similarities of the SERS signals of DNAs from Rebra and Romus 3 leaves were detected. To our knowledge, this is the first SERS study on genomic DNA from leaf tissues. The present work provides a basis for future use of surface‐enhanced Raman spectroscopy to analyze specific plant DNA–ligand interactions or DNA structural changes induced by plants' stress conditions associated with their natural environment. Besides, this study will generate information that is valuable in the development of low‐level plant DNA‐based analytical sensors. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
55.
LU ZhongDao SA BenHao Masanori Matsuda Junichi Nagata Atsushi Nakamura Osamu Miyamura 《中国物理C(英文版)》2000,24(8):743-747
The Λ multiplicity and Λ/p ratio are studied by hadron transportation-string fragmentation model in relativistic heavy ion collisions. Firstly, the dependence of Λ multiplicity and Λ/p ratio on the system size and the collision centrality is studied. It shows that the Λ and p multiplicities go up as the increase of system size and the increase of collision centrality. However, their ratio keeps almost a constant. The effect of Λ annihilation cross section to Λ multiplicity and Λ/p ratio is also studied. It is found that this effect is weak: Λ multiplicity and Λ/p ratio have a little amount of increase by the decrease of Λ annihilation cross section. Even the cross section is down to zero, Λ/p ratio is only 1.2 in 200A GeV AuAu head on collision. The Λ/p ratio is obtained to be 0.28 in pp collision, lying in the range of experimental data:0.2—0.3. It is also obtained that the ratio in AA collisions is 3—5 times of that in pp collision. 相似文献
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Yu-Ming ZHENG Hong-Min LIU Ben-Hao SA Zhong-Dao LU Zhong-Qi WANG Xiao-Ze ZHANG 《理论物理通讯》1993,19(1):71-74
A simple Monte Carlo simulation and even a partition method can be used to reproduce quite well the power law behavior between the factorial moment and the charge interval of fragment charge distributions from the multifragmentation of 197Au nucleus bombarding emulsion at~1 GeV/nucleon. This indicates that the above power law seems not to be a unique precursor of the intermittent behavior in nuclear multifragmentations. 相似文献
58.
The charge dispersion of fragments in high energy p+Cu,Kr and Xe reactions are calculated by statistical model and Monte Carlo technique.The corresponding data are reproduced quite well.It is shown that the charge dispersions are all nearly gaussian.The mass dependence of the most probable fragment charge reflects the rest target memory effect. 相似文献
59.
Following the method developed by the authors,recently,the equation of state of hot nuclei(238U in concrete) before break-up was investigated numerically.The isotherms are drawn in the plan of the general pressure P versus volume VRT. They are similar to those of Van der Waals gas.The critical temperature of phase transition should correspond to the isotherm with one turning point only.It turns out that the data of mass yield distribution can be reproduced by many pairs of parameters T and VRT (freeze-out temperature and freeze-out volume) varying in certain range.For each isotherm (each T),the data are always best reproduced by the value of VRT located at the maximum general pressure within two phases coexistence region. 相似文献
60.
QCD PERTURBATION THEORY AND NUCLEI (1) THE ENERGY SHIFTS OF HADRENS AND HADRONS MASS DIFFERENCE MASS DIFFERENCE 下载免费PDF全文
QCD perturbation theory for confined quarks and gluons (inhadrons) is discussed.Based on the equivalent potential for the quark-gluon interaction derived, the energyshifts of hadrons and hadron mass difference in MIT bag (cavity) model and correcpond-ing approximation of the w. f. with Gassian form are calculated. 相似文献