Au(111)电极表面溴离子吸附诱导的表面应力的理论研究

以Br~-为例,应用格子气模型,建立了阴离子吸附层对Au(111)电极表面应力贡献的统计热力学理论,计算了吸附层Br~-间的相互作用能及表面应力的贡献.计算结果表明,总的表面应力是压缩性的;在高覆盖度区域,表面应力与覆盖度近似呈直线关系;在表面吸附层应力的多种物理起源中,通过底物的分子间作用力有着决定性的贡献,揭示了分子的吸附能间接地起着重要作用.     

利用Chapman-Enskog展开求解粒子平衡分布函数

格点Boltzmann方法是一种基于分子运动论的模拟粘性流动的数值方法，粒子平衡分布函数是这种方法中的重要物理量．本文利用Cbapman－Enskog展开求解粒子平衡分布函数．     

山东某体育学校边坡失稳机理分析及治理

结合具体工况,并在分析边坡稳定性的基础上,根据边坡周边环境的具体情况,综合考虑多方面因素后,采用了直接针对边坡应力分布特点结合防水、排水的治理措施。实践表明,该设计方案具有一定的创新性及实用性。     

Coarse-Grained Finite-Temperature Theory for the Bose Condensate in Optical Lattices

In this paper, we derive a coarse-grained finite-temperature theory for a Bose condensate in a one-dimensional optical lattice, in addition to a confining harmonic trap potential. We start with a two-particle irreducible (2PI) effective action on the Schwinger-Keldysh closed-time contour path. In principle, this action involves all information of equilibrium and non-equilibrium properties of the condensate and noncondensate atoms. In constructing a theory for the condensate and noncondensate in a periodic lattice potential, a difficulty arises from the rapid spatial variation due to a lattice potential, compared to the length scale of the harmonic potential. We employ a coarse-graining procedure to eliminate this rapid variation. By introducing a variational ansatz for the condensate order parameter in an effective action, we derive a coarse-grained effective action, which describes the dynamics on the length scale much longer than a lattice constant. Using the variational principle, coarse-grained equations of motion for condensate variables are obtained. These equations include a dissipative term due to collisions between condensate and noncondensate atoms, as well as noncondensate mean-field. As a result of a coarse-graining procedure, the effects of a lattice potential are incorporated into equations of motion for the condensate by an effective mass, a renormalized coupling constant, and an umklapp scattering process. To illustrate the usefulness of our formalism, we discuss a Landau instability of the condensate moving in optical lattices by using the coarse-grained generalized Gross-Pitaevskii hydrodynamics. We find that the collisional damping rate due to collisions between the condensate and noncondensate atoms changes its sign when the condensate velocity exceeds a renormalized sound velocity, leading to a Landau instability consistent with the Landau criterion. Our results in this work give an insight into the microscopic origin of the Landau instability.      

Tuning Correlation Effects with Electron–Phonon Interactions

We investigate the effect of tuning the phonon energy on the correlation effects in models of electron–phonon interactions using DMFT. In the regime where itinerant electrons, instantaneous electron–phonon driven correlations and static distortions compete on similar energy scales, we find several interesting results including (1) A crossover from band to Mott behavior in the spectral function, leading to hybrid band/Mott features in the spectral function for phonon frequencies slightly larger than the band width. (2) Since the optical conductivity depends sensitively on the form of the spectral function, we show that such a regime should be observable through the low frequency form of the optical conductivity. (3) The resistivity has a double kondo peak arrangement.     

切削深度对单晶γ-TiAl合金力学性能的影响

在本文，通过分子动力学模拟方法建立了单晶γ-TiAl合金的纳米切削模型和拉伸模型，其主要分析不同的切削深度对工件拉伸性能的影响。一方面，详细的研究了晶格转变和微观缺陷演化之间的关系；另一方面，系统的探讨了不同的切削深度对应力-应变曲线、位错形核位置和工件断口位置的影响。研究结果表明：在纳米切削阶段，晶格转变的数量会随着切削深度的增加而增多并且与微观缺陷演化具有一致性。在一定的切削深度范围内工件的屈服应力和弹性模量会相应的提高。另外，切削深度对工件的位错形核位置和断口位置有较大影响，经过加工的工件位错形核于工件的亚表面，而未经过加工的位错形核于工件的边界处，工件的断口位置随着切削深度的增加越靠近拉伸端。     

Lattice-Distortion-Enhanced Yield Strength in a Refractory High-Entropy Alloy

Severe distortion is one of the four core effects in single-phase high-entropy alloys (HEAs) and contributes significantly to the yield strength. However, the connection between the atomic-scale lattice distortion and macro-scale mechanical properties through experimental verification has yet to be fully achieved, owing to two critical challenges: 1) the difficulty in the development of homogeneous single-phase solid-solution HEAs and 2) the ambiguity in describing the lattice distortion and related measurements and calculations. A single-phase body-centered-cubic (BCC) refractory HEA, NbTaTiVZr, using thermodynamic modeling coupled with experimental verifications, is developed. Compared to the previously developed single-phase NbTaTiV HEA, the NbTaTiVZr HEA shows a higher yield strength and comparable plasticity. The increase in yield strength is systematically and quantitatively studied in terms of lattice distortion using a theoretical model, first-principles calculations, synchrotron X-ray/neutron diffraction, atom-probe tomography, and scanning transmission electron microscopy techniques. These results demonstrate that severe lattice distortion is a core factor for developing high strengths in refractory HEAs.     

Improvement of the heat transfer quality by air cooling of three-heated obstacles in a horizontal channel using the lattice Boltzmann method

This study focuses on the cooling of three heated obstacles with different heights mounted on the bottom of the channel wall using different aspects that influence the enhancement of the heat exchange, as is known in the concept of cooling electronic devices. The lattice Boltzmann method associated with multiple relaxation times (LBM-MRT) was adopted to simulate the physical configurations of the studied system. In this context, the D2Q9 and D2Q5 models are applied to describe the fluid flow behavior and conjugate heat transfer, respectively. The evaluation of heat exchange between the cold fluid and three-heated obstacles has been accurately analyzed under the effect of several parameters such as Reynolds number, obstacle spacing, and thermal conductivity ratio. In addition, the setting of two and three fluids flow inlets were also studied. The results are presented in terms of streamlines, isotherms, and local Nusselt curves. The heat transfer increases with increasing solid-fluid thermal conductivity. It is also more pronounced for large Reynolds numbers. Moreover, the heat transfer significantly enhances for the second and third obstacles when obstacle spacing increases. The improvement of the heat transfer is performed by the implementation of several jet flows in the studied system.     

Self-assembling ε-Fe2O3/SiO2 nanoparticles to nanoflakes with paramagnetic-class properties via a milling-etching route

In this work, the milling-etching route is designed to synthesize nanoflakes with high-content ε-Fe₂O₃ phase, which is environmental friendly and more desirable for energy-efficient mass production of ε-Fe₂O₃ phase than conventional thermal treatment methods. More strikingly, this product conforms to the characteristics of paramagnetic-class properties, and our study shows that the unique property derived from ε-Fe₂O₃ phase is intimately related to large lattice strain and a few of small grains of ε-Fe₂O₃ based on Rietveld method and the law of approach to saturation. Relaxivities confirm the paramagnetic-class product has the potential to become a candidate as contrast agent in magnetic resonance imaging application filed. Our work not only sheds light on the preparation of ε-Fe₂O₃ phase, but also enables a new insight into the development of functional ε-Fe₂O₃ material in practical magnetically-relevant applications.