Molecular scale structure formation by folding

A conception of a structure formation suitable for nano-technology is proposed, which is programmable and suitable for mass production-like lithography. This conception utilizes the controlled folding of chains like the scan-lines of television. Its possibility and property were studied theoretically using the modeled chains consist of beads. By adopting the interaction among the beads which can distinguish the kind of the partner by its polarity and is chiral to break the chiral symmetry of the folded state, the special chains which have the unique ground states could be designed. In these ground states, the chains are folded like the scan-lines of television. The thermodynamic properties of the suggested chains were studied by the Monte Carlo simulations and the suggested chains showed the phase-transition-like behavior which is distinct compared to both the random chains and the chain that has only the non-specific attraction. The size dependence and the effects of adding the non-specific attraction and modifying the border of the folded conformation were also studied.     

Potential-dependent structure of the interfacial water on the gold electrode

Doubly tunable sum frequency generation (SFG) spectra demonstrate that the water molecules at gold/electrolyte interface change their orientation with applied potential. At negative potentials, water molecules in the double layer align with their oxygen atom pointing to the solution. As potential became positive to be close to the potential of zero charge (PZC), the SFG signal decreased, suggesting the OH groups of the water molecule are either in random orientation or parallel to the electrode. As potential became more positive than the PZC, the SFG signal increased again with the oxygen-up orientation as same as in the negative potential region, indicating that water molecules interact with the adsorbed sulfate anions. The peak position of the SFG spectra indicates a relatively disordered state of water molecules at the gold electrode surface, in contrast to the previously observed ice-like structure of water at electrolyte/oxide interfaces.     

Surface Nitridation of Molybdenum by Laser-promoted Reaction

l.IntroductionowingtotheirpromisingproPertiesandPOtentialapplications,transitionmetalni-trideshavedrawngreatattentionandthepreparationandinvestigationofthesecom-poundshavebeenasubjectbothofscientificandoftechnologicalinterest.Transitionmetalnitridescombineadvantagesofexce1lenthardness,highmeltingPOint,goodchemi-calstabilityandhigheIectricalconductivity[11,henceoverlaySofthesecompoundshavefoundwideappIicationsinvariousfie1ds.Molybdenumnitrides,inparticular,havealsoemergedasverypromisingcandi…     

Contingent epiderivatives and set-valued optimization

In this paper we introduce the concept of the contingent epiderivative for a set-valued map which modifies a notion introduced by Aubin [2] as upper contingent derivative. It is shown that this kind of a derivative has important properties and is one possible generalization of directional derivatives in the single-valued convex case. For optimization problems with a set-valued objective function optimality conditions based on the concept of the contingent epiderivative are proved which are necessary and sufficient under suitable assumptions.     

左截断右删失下核密度估计的L1距离的界

本文在左截断右删失数据下获得了概论密度的核估计的L1距离的一个上界．     

THE STEP-TRANSITION OPERATORS FOR MULTI-STEP METHODS OF ODE'S

1.'IntroductionThedisad~ageofsymplecticmethodsinusingtheinformationfrompasttimestepsleadstotheirneedingmorefunctionevaluationthannonsymplecticmethods.Thisdisadvantagecanbeovercomeifonecouldconstructsymplecticmulti-stepmethods.But'theaestProblemshouldbesolvedistogiveoutthedefinitionofsymplecticmultistepmethod.Ulltilnow,apopularideaisthatanm-stepmethodonMmaybewrittenasaone-stepmethodonMa.Inpaper12,71,theauthorshaveinvestigatedthecircumstanceunderWhichadifferenceschemecanpreservetheproductsympl…     

Phenomenological πN→ππN amplitude and the modelling of the Olsson–Turner and Chew–Low approaches

The phenomenological amplitude for the reaction πN→ππN fixed by fittings to the experimental data in the energy region 0.300 ≤P _Lab≤ 500 MeV/c is used for modelling the Chew–Low extrapolation and Olsson–Turner threshold approach. It is shown that the uncritical application of the former results in enermous theoretical errors, the extracted values being in fact random numbers. The results of the Olsson–Turner method are characterized by significant systematic errors coming from unknown details of the isobar physics. Received: 10 December 1997     

Statistical mechanics of warm and cold unfolding in proteins

We present a statistical mechanics treatment of the stability of globular proteins which takes explicitly into account the coupling between the protein and water degrees of freedom. This allows us to describe both the cold and the warm unfolding, thus qualitatively reproducing the known thermodynamics of proteins. Received: 19 March 1998 / Revised and Accepted: 25 May 1998