Microwell‐Directed Self‐Assembly of Vertical Nanowire Arrays

Vertical arrays of anisotropic particles are desired for many applications including solar cells, battery electrodes, and lasers. Partially etched nano­wires (PENs) are hybrid silica nanotube/nanowires with partial metallic cores. These particles spontaneously form vertical arrays in which on average 70% of the particles are oriented perpendicular to the underlying substrate. Here, we perform PEN self‐assembly on lithographically prepared substrates patterned with square microwells having dimensions comparable to the length of the particles. Particle self‐assembly is observed both in the microwells and on the intervening surfaces. PENs both directly deposit into a well and diffuse across the surface between microwells until falling into a well. Assembly occurs as the local concentration of PENs in a well increases by these two mechanisms. Microwells provide a way to control array location on a surface and improve standing percentages up to 100% when the edge dimensions are decreased to a size approximately equal to the nanowire length. Micro­wells also protect against array disruption during sample drying.     

狭小间距间Cu/Al薄膜相互作用的分子动力学模拟

采用分子动力学模拟软件基于Lennard-Jones-9-6势函数研究了狭小间距Cu/Al纳米薄膜间的相互作用. 我们通过计算薄膜表面单位面积上的范德华相互作用能σ_E,综合性地讨论了非接触Cu/Al薄膜间的相互作用.结果显示,当两薄膜的间距从12Å减小到3Å时,相互作用能呈现两个阶段：起初几乎不变,然后迅速增大.临界间距在7 Å附近.在两薄膜相互靠近的过程中,相互作用能受体系尺寸、空位缺陷尺寸、表面涂层及薄膜间距的影响较大,然而几乎不受空位缺陷形状的影响.     

太阳强迫厄尔尼诺/南方涛动充电振子模型的Hopf分岔与混沌

本文研究了一类太阳强迫的厄尔尼诺/南方涛动(ENSO)充电振子数理模型,通过数学变换将此ENSO振子方程组变换为有周期强迫项的van der Pol-Duffing方程,利用谐波平衡法定性分析得到此ENSO系统发生Hopf分岔的条件并做简单数值模拟,结果发现随着强迫作用增大,11年周期太阳循环强迫的ENSO系统经历准周期、倍频锁相到混沌的过程.     

Infrared spectra of acetylene dimers and acetylene–nitrogen: (DCCD)2, H-bonded DCCD–HCCH, and DCCD–NN in the 4.1 μm region

Infrared spectra of the weakly-bound T-shaped acetylene dimers DCCD–DCCD and DCCD–HCCH are studied in the region of the DCCD ν₃ fundamental (∼2440 cm⁻¹) using a pulsed supersonic slit-jet expansion and a tunable diode laser probe. The K_a = 0 ← 1 and 1 ← 0 subbands, corresponding to the vibration of the DCCD monomer at the “top” of the T, are analyzed. Compared to the analogous spectrum of HCCH–HCCH, the present results are much less perturbed. The tunneling splitting for (DCCD)₂ in the excited state is determined to be 141 MHz, a big reduction from the previously determined ground state value of 424 MHz. The dimer A rotational constants show a large apparent increase upon vibrational excitation, and we discuss whether this increase is real. The linear DCCD–NN complex is also observed as an impurity in the spectrum, and it too is found to be unperturbed, in contrast with HCCH–NN.     

Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range

This article investigates the errors in supermolecule calculations for the helium dimer. In a full CI calculation, there are two errors. One is the basis set superposition error (BSSE), the other is the basis set convergence error (BSCE). Both of the errors arise from the incompleteness of the basis set. These two errors make opposite contributions to the interaction energies. The BSCE is by far the largest error in the short range and larger than (but much closer to) BSSE around the Van der Waals minimum. Only at the long range, the BSSE becomes the larger error. The BSCE and BSSE largely cancel each other over the Van der Waals well. Accordingly, it may be recommended to not include the BSSE for the calculation of the potential energy curve from short distance till well beyond the Van der Waals minimum, but it may be recommended to include the BSSE correction if an accurate tail behavior is required. Only if the calculation has used a very large basis set, one can refrain from including the counterpoise correction in the full potential range. These results are based on full CI calculations with the aug-cc-pVXZ (X = D, T, Q, 5) basis sets.     

Influence of atomic force microscope (AFM) probe shape on adhesion force measured in humidity environment

In micro-manipulation, the adhesion force has very important influence on behaviors of micro-objects. Here, a theoretical study on the effects of humidity on the adhesion force is presented between atomic force microscope （AFM） tips and substrate. The analysis shows that the precise tip geometry plays a critical role on humidity depen- dence of the adhesion force, which is the dominant factor in manipulating micro-objects in AFM experiments. For a blunt （paraboloid） tip, the adhesion force versus humidity curves tends to the apparent contrast （peak-to-valley corrugation） with a broad range. This paper demonstrates that the abrupt change of the adhesion force has high correla- tion with probe curvatures, which is mediated by coordinates of solid-liquid-vapor contact lines （triple point） on the probe profiles. The study provides insights for further under- standing nanoscale adhesion forces and the way to choose probe shapes in manipulating micro-objects in AFM experiments.     

Buckling and stability analysis of a piezoelectric viscoelastic nanobeam subjected to van der Waals forces

A study on the buckling and dynamic stability of a piezoelectric viscoelastic nanobeam subjected to van der Waals forces is performed in this research. The static and dynamic governing equations of the nanobeam are established with Galerkin method and under Euler–Bernoulli hypothesis. The buckling, post-buckling and nonlinear dynamic stability character of the nanobeam is presented. The quasi-elastic method, Leibnitz’s rule, Runge–Kutta method and the incremental harmonic balanced method are employed for obtaining the buckling voltage, post-buckling characteristics and the boundaries of the principal instability region of the dynamic system. Effects of the electrostatic load, van der Waals force, creep quantity, inner damping, geometric nonlinearity and other factors on the post-buckling and the principal region of instability are investigated.     

Infrared diode laser spectroscopy of O2–N2O van der Waals complex in the v1 symmetric stretch region of N2O

The rovibrational spectrum of O2–N2O van der Waals complex is measured in the ν1 symmetric stretch region of N2 O monomer using a tunable diode laser spectrometer. The complex is generated by a slit-pulsed supersonic expansion with gas mixtures of O2, N2 O, and He. Both a- and b-type transitions are observed. The effective Hamiltonian for an open-shell complex consisting of a diatomic molecule in a ^3Σ electronic state and a closed-shell partner is used to analyze the observed spectrum. Molecular constants in the vibrationally excited state are determined accurately. The band-origin of the spectrum is determined to be 1284.7504（25） cm^-1, red-shifted from that of the N2 O monomer by ～ 0.1529 cm^-1.