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2.
Construction of receptors with binding sites of specific size, shape, and functional groups is important to both chemistry and biology. Covalent imprinting of a photocleavable template within surface–core doubly cross‐linked micelles yielded carboxylic acid‐containing hydrophobic pockets within the water‐soluble molecularly imprinted nanoparticles. The functionalized binding pockets were characterized by their binding of amine‐ and acid‐functionalized guests under different pH values. The nanoparticles, on average, contained one binding site per particle and displayed highly selective binding among structural analogues. The binding sites could be modified further by covalent chemistry to modulate their binding properties.  相似文献   
3.
In this study, two structural isomers α‐PBT and β‐PBT, which only differ in the phenyl substituent position on the quinoline chromophore, have been designed and successfully synthesized. The influences of substituent position on the film morphology and the storage performance of the devices were investigated. Both molecules employed in the memory devices exhibited same nonvolatile binary (write‐once‐read‐many‐times; WORM) characteristics, but the switch threshold voltage (Vth) of the β‐PBT‐based device was clearly lower than that of the α‐PBT‐based device. Simulation results demonstrate that the variation of the phenyl substituent position led to different intermolecular stacking styles and thus to varied grain sizes for each film morphology. This work illustrates that altering the phenyl substituent position on the molecular backbone could improve the quality of the film morphology and reduce power consumption, which is good for the rational design of future advanced organic memory devices (OMDs).  相似文献   
4.
The spin polarization of carbon nanomaterials is crucial to design spintronic devices. In this paper, the first-principles is used to study the electronic properties of two defect asymmetric structures, Cap-(9, 0)-Def [6, 6] and Cap-(9, 0)-Def [5, 6]. We found that the ground state of Cap-(9, 0)-Def [6, 6] is sextet and the ground state of Cap-(9, 0)-Def [5, 6] is quartet, and the former has a lower energy. In addition, compared with Cap-(9, 0) CNTs, the C adatom on C30 causes spin polarization phenomenon and Cap-(9, 0)-Def [6, 6] has more spin electrons than Cap-(9, 0)-Def [5, 6] structure. Moreover, different adsorb defects reveal different electron accumulation. This finding shows that spin polarization of the asymmetric structure can be adjusted by introducing adatom defects.  相似文献   
5.
A two-phase model based upon principles of continuum mixture theory is numerically solved to predict the evolution of detonation in a granulated reactive material. Shock to detonation transition (SDT) is considered whereby combustion is initiated due to compression of the material by a moving piston. In particular, this study demonstrates the existence of a SDT event which gives rise to a steady two-phase Chapman-Jouguet (CJ) detonation structure consisting of a single lead shock in the gas and an unshocked solid; this structure has previously been independently predicted by a steady-state theory. The unsteady model equations, which constitute a non-strictly hyperbolic system, are numerically solved using a modern high-resolution method. The numerical method is based on Godunov's method, and utilizes an approximate solution for the two-phase Riemann problem. Comparisons are made between numerical predictions and known theoretical results for 1) an inert two-phase shock tube problem, 2) an inert compaction wave structure, and 3) a reactive two-phase detonation structure; in all cases, good agreement exists. Received 4 August 1995 / Accepted 17 February 1996  相似文献   
6.
This paper presents a method for the analytical prediction of sliding motions along discontinuous boundaries in non-smooth dynamical systems. The methodology is demonstrated through investigation of a periodically forced linear oscillator with dry friction. The switching conditions for sliding motions in non-smooth dynamical systems are given. The generic mappings for the friction-induced oscillator are introduced. From the generic mappings, the corresponding criteria for the sliding motions are presented through the force product conditions. The analytical prediction of the onset and vanishing of the sliding motions is illustrated. Finally, numerical simulations of sliding motions are carried out to verify the analytical prediction. This analytical prediction provides an accurate prediction of sliding motions in non-smooth dynamical systems. The switching conditions developed in this paper are expressed by the total force of the oscillator, and the nonlinearity and linearity of the spring and viscous damping forces in the oscillator cannot change such switching conditions. Therefore, the achieved force criteria can be applied to the other dynamical systems with nonlinear friction forces processing a C 0-discontinuity.  相似文献   
7.
An extension to an algorithm due to Simpson has been developed for the analysis of a second-order two-degree-of-freedom autonomous system. The form of equations considered arises from the study of mechanical systems with a single concentrated non-linearity and the method assumes a solution made up of harmonic terms whose amplitudes vary slowly in time. For a system possessing a stable equilibrium point and an unstable limit cycle arising from a subcritical Hopf bifurcation, the method has been applied to the problem of predicting the basin of attraction of the equilibrium point. The method reduces the problem from a search in four-dimensional phase space to a search for a boundary in a plane defined by amplitudes a1 and a2 in the assumed form of the solution. The method was applied to four weakly non-linear systems in which the non-linearity was due to either a linear spring with a small amount of cubic hardening or a linear spring with freeplay. Agreement was shown to be good in the cases considered. However, it would be expected that the method would not give such accurate results if the non-linear effect was more significant. This was illustrated for the case of the cubic hardening non-linearity.  相似文献   
8.
This paper presents a unified framework from which emerge the Lagrange equations, the Gibbs-Appell Equations and the Generalized Inverse Equations for describing the motion of constrained mechanical systems. The unified approach extends the applicability of the first two approaches to systems where the constraints are non-linear functions of the generalized velocities and are not necessarily independent. Furthermore, the approach leads to the Explicit Gibbs-Appell Equations.  相似文献   
9.
We consider an optimal control problem of fluids flow. The fluid motion is governed by the incompressible time-dependent Navier-Stokes equations. A new optimal control formulation for the reduction and possibly extinction of vortices is proposed. A cost functional based on a local dynamical systems characterization of vortices is investigated. The resulting functional is a non-convex function of the velocity gradient tensor. The optimality system describing first order necessary optimality conditions is derived. The gradient and the second derivative of the cost functional with respect to the distributed control are established.  相似文献   
10.
The normal forms for time-periodic nonlinear variational equations witharbitrary linear Jordan form undergoing bifurcations of highco-dimension are found. First, the equations are transformed via theLyapunov–Floquet (L–F) transformation into an equivalent form in whichthe linear matrix is constant with degenerate nonsemisimple lineareigenvalues while the nonlinear monomials have periodic coefficients. Byconsidering the resulting coupling of the bases of the near identitytransformation, the solvability condition for an arbitrary Jordan matrixis then derived. It is shown that time-independent and/or time-dependentnonlinear resonance terms remain in the normal form for various Jordanmatrices. Specifically, the normal forms for quadratic and cubicnonlinearities with the following linear Jordan forms are explicitlyderived: double zero eigenvalues (co-dimension two bifurcation), triplezero eigenvalues (co-dimension three bifurcation), and two repeatedpairs of purely imaginary eigenvalues (co-dimension two bifurcation). Acommutative system with cubic nonlinearities and a double inverted pendulum with a periodicfollower force are used as illustrative examples.  相似文献   
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