熔合反应中动力学势垒的研究

用改进的量子分子动力学模型研究了与入射能量相关的重离子熔合势垒. 随着 入射能的降低可以观察到动力学势垒的最低值, 这个最低动力学势垒与绝热势垒 非常接近；动力学势垒随着入射能的增加而升高, 最终接近于静态势垒(非绝热势垒). 基于动力学势垒的研究, 对于重离子熔合反应的额外推动(extra-push)给出了微观理解,对势垒贯穿给出了一种新的解释. 为进一步理解动力学势垒, 还研究了颈部的形成和体系的动力学形变, 分析了动力学势垒降低的原因.     

重离子碰撞中熔合位垒的研究

熔合位垒的研究对熔合反应以及超重核合成有重要的意义。在改进的同位旋相关的量子分子动力学(ImIQMD)模型框架下,提取了熔合反应体系40Ca+40Ca,48Ca+208Pb,48Ca+204Pb和16O+154Sm的熔合位垒。研究了壳修正能对熔合位垒的影响、动力学位垒的能量依赖性、同位旋效应以及形变核的方向效应。计算发现壳修正能降低了熔合反应的位垒。在研究动力学位垒的能量依赖性时,发现位垒高度和位垒半径表现出相反的能量依赖行为。在动力学反应中,当两个核距离接近时,缺中子体系的库仑势同样表现出一定的能量依赖性。对于丰中子体系,由于中子屏蔽作用,库仑势基本没有能量依赖性。     

Dynamic spin-polarized resonant tunneling in magnetic tunnel junctions

Precisely engineered tunnel junctions exhibit a long sought effect that occurs when the energy of the electron is comparable to the potential energy of the tunneling barrier. The resistance of metal-insulator-metal tunnel junctions oscillates with an applied voltage when electrons that tunnel directly into the barrier's conduction band interfere upon reflection at the classical turning points: the insulator-metal interface and the dynamic point where the incident electron energy equals the potential barrier inside the insulator. A model of tunneling between free electron bands using the exact solution of the Schr?dinger equation for a trapezoidal tunnel barrier qualitatively agrees with experiment.     

Dwell time in one-dimensional graphene asymmetrical barrier

The authors have investigated theoretically the dwell time of Dirac fermions tunneling through electrostatic square barrier in monolayer graphene, including asymmetrical and symmetrical potential barriers. It is found that the incident angle determines the critical incident energy. When the incident energy is larger than the critical incident energy, the dwell time saturate with the increase of the barrier thickness. But when the incident energy is smaller than the critical incident energy, the dwell time oscillates with the increase of the barrier thickness. The behaviors of oscillation and saturation of the dwell time are related with the transmission probability. These results may be helpful for the basic physics and potential application of graphene based electronic devices.     

重离子熔合势垒的动力学模型研究

在改进的量子分子动力学模型基础上系统地研究了超重核合成中的入射道静态势和动力学势.从入射道静态势给出了质量不对称度与静态势垒高度以及质量不对称度与接触点驱动势的关系.动力学势垒高度是能量依赖的,随着入射能量的增加而增加,最终趋近于密度冻结势垒高度;动力学势垒高度随着入射能量的降低而降低,它的最低值接近于绝热势垒高度.在冷熔合反应中,动力学势垒的最低值所对应的入射能量可能是合成超重元素最佳入射能的选择     

重核融合反应动力学位垒的微观研究

在简要评述重核融合过程中几种主要理论模型的基础上,提出了微观输运动力学模型,即改进的量子分子动力学模型.在这个模型的框架内,我们研究了重核融合位垒的动力学行为.我们发现,随入射能量的减少,可以得到最低的动力学位垒,它趋近于绝热静态位垒.而随入射能量的增加,动力学位垒增加,最后趋近于非绝热静态位垒,这给出了位垒分布的两个边缘.在微观输运动力学模型基础上,我们还研究了在融合路径上,动力学位垒与融合体系微观构型的关系.考虑到融合过程不同时刻的单粒子位势与双中心壳模型位势的相似性,我们可以很好的研究融合过程中,在构型空间里单粒子态及相关量的时间演化行为.     

C2H2在金刚石（001）-（2×1）重构面上吸附的分子动力学模拟

利用Brenner半经验多体相互作用势和分子动力学模拟方法，研究了乙块（C₂H₂）分子在金刚石（001）-（2×1）重构表面上的碰撞动力学过程与化学吸附构型的关系.观察到C₂H₂在金刚石表面的6种吸附结构.约95％的吸附呈C₂H₂与表面形成两个σ单键的形式.讨论了轰击能量、入射位置及金刚石表面原子的空间位形对各种吸附构型形成的影响.还给出了化学吸附过程的分子快照，并讨论了C₂H₂分子与表面的能量交换关系. 关键词：     

A Quantum Particle in a One-Dimensional Fractal Field

Algorithms have been obtained for calculating reflection coefficients for a particle incident on a fractal potential barrier or on a fractal potential well. It has been investigated how these coefficients vary with the energy of the particle and with the fractal dimension and other parameters of the barrier or well. The energies of the bound states of fractal potential wells have been calculated.     

On the isospin effects in the geometry of vanishing flow in heavy-ion collisions

We study the behavior of the geometry of vanishing flow (GVF) and its system size dependence at different incident energies. We find that the geometry of vanishing flow is sensitive to the incident energy. We also study the role of isospin degree of freedom through Coulomb potential, symmetry energy and nucleon-nucleon cross sections. Our study reveals that isospin degree of freedom through nucleon-nucleon cross section plays a dominant role compared to Coulomb potential and symmetry energy.     

Be原子在Be基底上的沉积过程研究

利用分子动力学方法模拟了Be原子在Be基底上的沉积过程. 模拟了沉积粒子不同入射动能条件下, 沉积薄膜表面形态的差异. 在一定能量范围内, 增加粒子入射动能可以减小薄膜的表面粗糙度. 但是, 过高的入射动能, 不利于减小薄膜表面粗糙度. 通过沉积薄膜中原子配位数以及单个原子势能沿薄膜厚度的分布, 分析沉积原子入射动能对于薄膜及表面结构的影响. 沉积动能较大时, 薄膜的密度较大; 单个原子势能沿薄膜厚度分布较为连续; 同时薄膜中原子应力沿薄膜厚度分布较为连续. 最后, 分析了沉积粒子能量转化的过程、粒子初始动能对基底表面附近粒子局部动能增加的影响.     

低能Pt原子与Pt(111)表面相互作用的分子动力学模拟

利用分子动力学模拟方法详细研究了低能Pt原子与Pt(111)表面的相互作用所导致的表面吸附原子、溅射原子、表面空位的产生及分布规律,给出了表面吸附原子产额、溅射原子产额和表面空位产额随入射Pt原子能量的变化关系.模拟结果显示:溅射产额、表面吸附原子产额和表面空位产额随入射原子的能量的增加而增加,溅射原子、表面吸附原子的分布花样呈3度旋转对称性质;当入射粒子能量高于溅射阈值时,表面吸附原子主要是基体最表面原子的贡献,入射粒子直接成为表面吸附原子的概率很小.其主要原因是:当入射粒子能量高于溅射能量阈值时,入射 关键词： 分子动力学 低能粒子 表面原子产额 空位缺陷 溅射     

ADATOM, VACANCY AND SPUTTERING YIELDS OF ENERGETIC Pt ATOMS IMPACTING ON Pt(100) BY MOLECULAR DYNAMICS SIMULATION

We have studied the influence of incident atoms with low energy on the Pt(100) surface by molecular dynamics simulation. The interaction potential obtained by the embedded atom method (EAM) was used in the simulation. The incident energy changes from 0.1eV to 200eV, and the target temperature ranges from 100 to 500 K. The target scales are 6×6×4 and 8×8×4 fcc cells for lower and higher incident energies, respectively. The adatom, sputtering, vacancy and backscattering yields are calculated. It was found that there is a sputtering threshold for the incident energy. When the incident energy is higher than the sputtering threshold, the sputtering yield increases with the increase of incident energy, and the sputtering shows a symmetrical pattern. We found that the adatom and vacancy yields increase as the incident energy increases. The vacancy yields are much higher than those obtained by Monte Carlo simulation. The dependence of the adatom and sputtering yields on the incident energy and the relative atomistic mechanisms are discussed.     

基于维格纳方程的电子的古斯-汉欣位移

通过求解电子的维格纳方程研究二维电子气中电子的输运性质.我们发现电子在倾斜入射到势垒界面并反射时,出现与光波类似的古斯-汉欣位移.通过维格纳方程可以得到电子的瞬态演化,不仅可以计算古斯-汉欣位移还能研究电子在势垒内部的运动轨迹以及出现稳定古斯-汉欣位移的时间.与稳定相位法得到的古斯-汉欣位移对比发现,考虑古斯-汉欣位移...     

Coverage dependence of neopentane trapping dynamics on Pt(111)

Adsorption probabilities for neopentane on Pt(111) were measured directly using supersonic molecular-beam techniques at coverages ranging from zero to monolayer saturation, incident translational energies between 18 and 110 kJ mol⁻¹ and incident angles between 0° and 60° at a surface temperature of 105 K. The adsorption probability was found to increase with coverage up to near monolayer saturation at all incident translational energies and incident angles. The coverage dependence of the adsorption probability predicted by a modified Kisliuk model with enhanced trapping into the second layer exhibits good quantitative agreement with the experimental values. The angular dependence of the adsorption probability decreases with increasing coverage, suggesting that the effective corrugation of the gas–surface interaction potential increases with the adsorbate coverage. The initial adsorption probability into the second layer onto the covered surface decreases from 0.95 to 0.75 with increasing energy over the energy range studied, and exhibits total energy scaling. A comparison with second-layer trapping data of simpler molecules onto covered Pt(111) indicates that the structural complexity of adsorbed neopentane molecules facilitates collisional energy transfer during adsorption.     

Isospin and symmetry energy study in nuclear EOS

This paper summarizes the isoscaling and isospin related studies in asymmetry nuclear reactions by different dynamic and statistical models. Isospin dependent quantum molecular dynamics model (IQMD) and lattice gas model (LGM) are used to study the isoscaling properties and isoscaling parameters dependence on incident energies, impact parameters, temperature and other parameters. In the LGM model, the signal of phase transition has been found in free neutron (proton) chemical potential difference Δµ_n or Δµ_p as a function of temperature, or in free neutron and proton chemical potential difference Δµ_n−Δµ_p. Density dependence of symmetry energy coefficient C _sym(ρ/ρ ₀) is also studied in the frame of LGM, with the potential parameters which can reproduce the nuclear ground state property, soft density dependence of symmetry energy is deduced from the simulation results. Giant dipole resonance (GDR) induced by isospin asymmetry in entrance channel is also studied via IQMD model, and the dynamic dipole resonance shows isospin sensitivity on the isospin asymmetry of entrance channel and symmetry energy of the nuclear equation of state (EOS). GDR can also be regarded as a possible isospin sensitive signature.

     

The reflection and transmission group delay times in an asymmetric single quantum barrier

The reflection and transmission group delay times are systematically investigated in an asymmetric single quantum barrier. It is reported that the reflection times in both evanescent and propagating cases can be either negative or positive, depending on the relative height of the potential energies on the two sides of the barrier. In the evanescent case where the energy of incident particles is less than the height of the barrier, the reflection and transmission times in the opaque limit are both independent of the barrier’s thickness, showing superluminality. On the other hand, in the propagating case where the energy of incident particles is larger than the height of the barrier, the reflection and transmission times as the periodical function of the barrier’s thickness can be greatly enhanced by the transmission resonance. It is also shown that the transmission time and the reflection times for the two propagation directions in the same asymmetric configuration satisfy the reciprocal relation, as consequence of time reversal invariance in quantum mechanics. These phenomena may lead to novel applications in electronic devices.     

Dynamical Study on Fusion Barrier in the Synthesis of Superheavy Elements

Based on the improved isospin-dependent quantum molecular dynamics model, the fusion barrier in the synthesis of superheavy elements is studied dynamically. Deformation effect and nucleon transfer in neck region are also investigated systematically, which can lower the dynamical barrier since the neck formation. It is shown that the neck radius is dependent on the incident energy and collision orientation. For the static barrier, the model almost gives the same results with the proximity potential.     

Control of the tunnel current flowing though nonuniform heterogeneous barriers with spherically symmetric inclusions

The effect of spherical quantum objects (scatterers) embedded into semiconductor barriers on the tunnel current flowing through them has been studied. For this purpose, the problem of the scattering of incident and reflected wave functions (damping if their energy is less than the barrier potential) of the electron by the stepwise spherically symmetric scattering potential has been solved.     

Resonance-enhanced group delay times in an asymmetric single quantum barrier

It is shown that transmission and reflection group delay times in an asymmetric single quantum barrier are greatly enhanced by the transmission resonance when the energy of incident particles is larger than the height of the barrier. The resonant transmission group delay is of the order of the quasibound state lifetime in the barrier region. The reflection group delay can be either positive or negative, depending on the relative height of the potential energies on the two sides of the barrier. Its magnitude is much larger than the quasibound state lifetime. These predictions have been observed in microwave experiments.     

Anisotropic and valley-resolved beam-splitter based on a tilted Dirac system

We investigate theoretically valley-resolved lateral shift of electrons traversing an n–p–n junction bulit on a typical tilted Dirac system (8-Pmmn borophene). A gauge-invariant formula on Goos–Hänchen (GH) shift of transmitted beams is derived, which holds for any anisotropic isoenergy surface. The tilt term brings valley dependence of relative position between the isoenergy surface in n region and that in the p region. Consequently, valley double refraction can occur at the n–p interface. The exiting positions of two valley-polarized beams depend on the incident angle and energy of incident beam and barrier parameters. Their spatial distance D can be enhanced to be ten to a hundred times larger than the barrier width. Due to tilting-induced high anisotropy of the isoenergy surface, D depends strongly on the barrier orientation. It is always zero when the junction is along the tilt direction of Dirac cones. Thus GH effect of transmitted beams in tilted Dirac systems can be utilized to design anisotropic and valley-resolved beam-splitter.