Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

Grain size dependence of hardness in nanocrystalline silicon carbide

The response of nanocrystalline silicon carbide (nc-SiC) to nanoindentation is investigated using molecular dynamics (MD) simulation. It is found that the hardness of the nc-SiC decreases with decreasing grain size, showing an inverse Hall-Petch relationship. The behavior is primarily attributed to the reduced number of intact covalent bonds with grain refinement. Dislocation nucleation and growth in nc-SiC are strongly suppressed by the grain boundaries (GBs). In addition to the dislocation region in the grains, the indentation-induced amorphization of nanograins proceeds preferentially from the GBs, leading to grain shrinkage until the grains are fully amorphized. The results provide an improved understanding of the mechanical properties in nc-SiC and other nanostructured covalent materials.     

基于击键动力学和口令的双因素用户验证

提出基于击键动力学和口令的一种新的身份验证方法，该方法监视用户在输入口令时的用户击键特征的有关数据，通过采用监视键盘输入时一种新的三键持续时间的击键特征表示，用一种表示用户节奏的相对击键速度的距离衡量方式，在正常样本上建立用户模式，然后用新样本与用户模式的距离匹配情况来验证用户身份的合法性。实验表明该方法简单实用，识别效率高。     

A stochastic model for localized disturbances and its applications

A stochastic model for local disturbances, particularly for a temporal harmonic with random modulations in amplitude and/or phase, is proposed in this paper. Results for the second moment responses of a linear single-degree-of-freedom system to this type of stochastic loading demonstrate a significant change in response characteristics due to a small uncertainty. A local phenomenon may last much longer and resonance may be smeared to a broad range. Integrated with wavelet transform, the proposed approach may be used to model a random process with non-stationary frequency content. Especially, it can be effectively used for Monte Carlo simulation to generate large size of samples that have similar characteristics in time and frequency domains as a pre-selected mother sample has. The technique has a great potential for the case where uncertainty study is warranted but the available samples are limited.     

天然气吸附储存脱附过程的动态模拟

通过热动力学计算,认识了脱附过程当中储罐内温度剖面分布的典型特征:储罐轴心处的温度下降幅度最大。分析了脱附过程当中储罐壁的热交换、吸附剂的导热系数以及储罐内的初始压力对储罐内的温度剖面的影响。结论是加强储罐外壁的热交换、增大吸附剂的导热系数皆能改善吸附储罐内的温度剖面。     

Dynamics of liquid-filled spacecraft

A method is presented for simulating coupled liquid-solid dynamics. An important example of a coupled liquid-solid system is a satellite carrying fuel. The dynamics of the satellite and the onboard fuel influence each other, which may lead to satellite motion that is uncontrollable. For better understanding of the complex dynamics of coupled systems, a numerical model is developed. The model consists of two parts. The first part that solves the liquid motion is only briefly discussed here. The focus in this paper is on the way in which the dynamics of the liquid and the solid body are coupled. For this, the governing equations are presented in which terms appear that represent the force and torque on the solid body due to the sloshing liquid. The governing equations are rewritten such that the discrete approximation of these equations can be integrated in a stable manner for arbitrary liquid/solid mass ratios. Results are presented demonstrating the stability of the present model. A grid-refinement study and a time-step analysis are performed. Finally, the flat-spin motion of a satellite, partially filled with liquid, that flew in 1992 as part of the Wet Satellite Model experiment is studied. Results from the simulation are compared with the actual flight data.     

Dissolved organic carbon dynamics in the upper rhone: The influence of side-arms?

Dissolved organic carbon (DOC) dynamics were investigated over a two year period in the Upper Rhǒne River to examine the role of side-arms in providing DOC to the main channel in relation to discharge fluctuations, especially floods. Concentrations of DOC are shown to remain low in space and in time (average 1.5 mg ^?1) and to be more related to global hydrological events (precipitation) than to any local flushing for backwaters during floods. The results do not support the general assumption that side-arms are the providers of DOC to the main channel.     

A robust adaptive pole‐placement controller without strictly positive real condition

This paper considers the adaptive pole‐placement control problem for system (1) with unmodelled dynamics η_n dominated by a small constant ε multiplied by a quantity independent of ε but tending to infinity as the past input, output, and noise grow. Using bounded external excitation and randomly varying truncation techniques, we give a design method of adaptive pole‐placement controller. It is shown that the closed‐loop system is globally stable, the estimation error for the parameter contained in the modelled part is of order ε, and the closed‐loop system under the adaptive pole‐placement control law is suboptimal in the sense of $$\mathop{\lim\sup}\limits_{{n\to\infty }}{1\over n}\mathop{\sum}\limits_{i=0}^n{\left({A^{*}(z)y_{n}‐L(z)C(z)w_{n}‐B(z)R(z)y_{n}^{*}}\right)^{2}{\leq}O({\varepsilon}^{2})+\gamma^{2}\mathop{\sum}\limits_{j=1}^q{b_{j}^{2}}}$$\nopagenumbers\end while the SPR condition used usually in other papers is replaced by a stability condition. Copyright © 2001 John Wiley & Sons, Ltd.     

机动武器系统的含间隙动力学研究--下篇:系统仿真

本文把中篇建立的间隙铰模型引入多体系统动力学分析中,得到了一种处理含间隙多体系统动力学问题的一般方法.应用这种方法对机动武器的发射过程进行了原理性的仿真,验证了前面建立的碰撞模型和间隙模型,并分析了间隙对导弹运动状态的影响.导弹发射过程具有变拓扑的特点,本文方法提供了一种处理这类问题的思路.