液氦温区两级4K脉冲管制冷机数值模拟

为模拟和动态显示工作在液氦温区的两级4K脉冲管制冷机内部工作过程和参数变化规律,发展了一种新的欧拉法-拉格朗日法数值计算模型。采用拉格朗日方法,直接跟踪脉冲管中气体微元随周期性压力波动的具体运行轨迹;采用欧拉法,直接模拟蓄冷器内部的动态参数变化。本文简单介绍该模型,并模拟了一典型两级4 K脉冲管制冷机各参数的变化情况,分析了多层磁性蓄冷材料对制冷机性能的影响情况。     

Reexamining the phase diagram of the Gay—Berne fluid

This work reexamines and updates earlier investigations on the phase behaviour of the Gay-Berne liquid crystal model, concentrating on the effect of varying temperature. Constant volume and constant pressure Monte Carlo simulations are combined for systems consisting of N = 500 molecules along different isotherms over the reduced temperature range 0.60 ≤ T ≤ 1.25. As in previous simulation studies of the model, the study identifies nematic and smectic B phases on compressing the isotropic fluid, the particular phase sequence depending on temperature. The nematic phase is found to be stable with respect to the isotropic phase for reduced temperatures T ≥ 0.75. In the temperature range 0.75 ≤ T ≤ 1.25, the phase boundaries of the isotropic-nematic transition are obtained by computing the Helmholtz free energy of both phases from thermodynamic integration. From the simulation data, the relative volume change at the isotropic-nematic transition is about 2%, and this value appears to be rather insensitive to changes in temperature. On compressing the nematic phase, the Gay-Berne fluid undergoes a strong first-order transition to the smectic B phase. This transition is studied by using constant pressure simulation, and the coexistence properties are estimated from the limits of mechanical stability of the nematic phase. Larger relative volume changes are found at the transition than those suggested by previous studies, with typical values increasing up to 10.5% as the temperature is decreased. The results are consistent with the existence of strong coupling between nematic and smectic order parameters. For temperatures T ≤ 0.70 the nematic phase is no longer stable, and the phase sequence isotropic-smectic B is observed. Therefore, the Gay-Berne model exhibits an isotropic-nematic-smectic B triple point. Extrapolating the present simulation data, this triple point is located approximately at reduced temperature T_INB ? 0.70 and reduced pressure P_INB ? 1.825.     

BC_2N薄膜的柱状生长及生长机理

应用热丝辅助等离子体化学气相沉积法 (CVD)合成了表面呈柱状的BC2 N薄膜 ,X射线、红外及X射线电子能谱分析表明 ,薄膜的化学组分主要为BC2 N ,B ,C和N原子间互相结合成键 .扫描电镜观察到 ,薄膜表面形貌呈排列整齐、取向一致的柱体 ,并且发现这种生长方式与沉积参数密切相关 .最后从结合能方面讨论了柱状BC2 N的生长机理 .     

时间相关穆斯堡尔谱与GaAs的119mTe离子注入

本文提出并实现了一种新的穆斯堡尔谱——时间相关穆斯堡尔谱。这是利用两步衰变^119mTe→¹¹⁹Sb→¹¹⁹Sn而获得的。测量了110keV ^119mTe加10¹⁵稳定Te/cm²注入并经600℃退火的样品在不同测量时间内的穆斯堡尔谱,分析了各谱线随ξ的变化。这里ξ是我们定义的参量,它等于Φ_Te/Φ_总,由退火时刻t_{a关键词：}     

Finite perturbation theory-density functional theory calculation of the spin-dipolar contribution to NMR spin-spin coupling constants

In this work an implementation of the FPT-DFT approach for calculating the spin-dipolar contribution to NMR spin-spin coupling constants is presented. This method was tested in a set of small molecules, giving results in excellent agreement when comparing them with values taken from the literature, which were obtained with state-of-the-art calculations. To obtain an insight into the relative importance of the spin-dipolar contribution in unsaturated compounds, calculations of J(F,C), J(F,F) and J(F,H) couplings in 1,2-, 1,3-, and 1,4-difluorobenzenes were performed. An important spin-dipolar contribution to ³ J(F, F) and ⁵ J(F,F) was found, suggesting that this term might be important in some cases. When performing DFT calculations the non-singlet instabilities usually found in unsaturated compounds are overcome.     

Large-N c quantum chromodynamics and harmonic sums

In the large-N _c limit of QCD, two-point functions of local operators become harmonic sums. I review some properties which follow from this fact and which are relevant for phenomenological applications. This has led us to consider a class of analytic number theory functions as toy models of large-N _c QCD which also is discussed.     

Quantum coherent control of the vibrational dynamics of a polyatomic molecule using adaptive feedback control of a femtosecond laser

We simulate adaptive feedback control to coherently shape a femtosecond infrared laser pulse by means of a 4f-spatial light modulator in order to selectively excite the rovibrational modes of a polyatomic molecule. We preferentially populate an arbitrarily chosen upper rovibrational level by only employing these tailored temporally shaped pulses. A second laser would then allow for mode selective chemistry to interact selectively with the excited population. Alternatively the excited molecules enhanced reactivity could be exploited for selective chemistry.     

Extent of sensitivity of single photon production to parton distribution functions

We have studied the production of single isolated prompt photons in high-energy proton–proton collisions at the RHIC ( \(\sqrt {s}\) = 200 GeV) and the LHC ( \(\sqrt {s}\) = 7 TeV) energies within the framework of perturbative QCD upto next-to leading order of strong coupling (α _s). We have used five different parametrizations of parton distribution function (PDF) starting from the old CTEQ4M to the new CT10 distributions and compared our results with the recent single-prompt photon data from the PHENIX and the CMS Collaborations. The prompt photon cross-section is found to be described equally well by all the PDFs within the experimental errors at the RHIC and the LHC energies. The deviation in the single-prompt photon yield for different PDF sets is within ±20% when compared to CTEQ4M, indicating the upper bound of uncertainty in determining the gluon density. The diphoton measurement could be a potential candidate to constrain the gluon distribution inside the proton.     

S-matrix approach to the equation of state of dilute nuclear matter

Based on the general analysis of the grand canonical partition function in the S-matrix framework, a method is presented to calculate the equation of state of dilute warm nuclear matter. The result is a model-independent virial series for the pressure and density that systematically includes contributions from all the ground and excited states of all the stable nuclear species and their scattering channels. The multiplicity distribution of these species to keep the matter in statistical equilibrium is found out and then the pressure, incompressibility and the symmetry energy of the system are evaluated. The calculated symmetry energy coefficients are found to be in fair agreement with the recent experimental data.     

Probing the density content of the nuclear symmetry energy

The nature of equation of state for the neutron star matter is crucially governed by the density dependence of the nuclear symmetry energy. We attempt to probe the behaviour of the nuclear symmetry energy around the saturation density by exploiting the empirical values for volume and surface symmetry energy coefficients extracted from the precise data on the nuclear masses.