The design of an efficient elevator operating system

A method is developed for finding an efficient operating policy for an office building elevator system. The method was applied to a particular eleven story building in which there were four elevator shafts. A queuing model was formulated in which the characteristics of passenger arrivals and destinations were time variable. The objective involved the minimization of the weighted sum of ratios of actual to minimum possible travel time between all pairs of floors. Simulation was used to analyze several logical routing policies for each of two methods in which demand information was used to alter the elevator route. The best policy was found to be almost twice as efficient as most of the other policies which were studied and over 25 times more efficient than another seemingly logical operating policy.     

Understanding the role of oxidative etching in the polyol synthesis of Pd nanoparticles with uniform shape and size

Uniform cubooctahedral nanoparticles of Pd were synthesized using a modified polyol process. Like the silver system, the Pd nanoparticles underwent dissolution due to oxidative etching by Cl-/O2. In the early stage of etching, the twinned particles in a sample were selectively removed to leave behind uniform, single-crystal cubooctahedra. If the etching was allowed to continue, the single-crystal cubooctahedra were also attacked and partially dissolved. Understanding the role of oxidative etching is critical to the achievement of both uniform shape and size.     

3D differential game guidance

Three-dimensional guidance in the neighborhood of collision course, based on a terminal differential game, renders ellipsoidal control sets. As a result, a saddle-point contains singularities. This paper (a) generalizes previous results on linear dynamics with terminal cost and ellipsoidal control sets and (b) applies the results to the above guidance problem to include general missile and target transfer functions. We further demonstrate the construction of the isocost surfaces (tubes).     

Aromatic poly(ester carbonate)/poly-(ethylene terephthalate) alloys

When mixtures of poly(ester carbonate) (PEC) and poly(ethylene terephthalate) (PET) containing up to two-thirds of the latter are melt extruded, they produce a single-phase amorphous “alloy.” This alloy is characterized by a sharp, single, composition-dependent glass transition temperature, T_g. When annealed below T_g, the alloy remains unaltered, but when annealed above its T_g, the alloy separates into minute pure-PET crystallites and an amorphous PEC/PET phase. The thermal and dynamic mechanical behavior, crystallization kinetics, and SAXS patterns all strongly suggest the PEC-rich alloys to be solid solutions in which the PET molecules are dispersed individually or in small aggregates containing only a few PET molecules each. Calculations of the interaction parameter and assumed interfacial layer thickness tend to support this suggestion. Use of appropriate solvents allows one to selectively dissolve the PEC and recover from the alloys both PET and PEC in the original purity and molecular weights. Diffusion constants of PET molecules through the amorphous alloys were obtained from studies of PET crystallization above T_g of the alloys. The magnitude of the constants are in the range of expectation. The mechanical properties of the amorphous alloys in the glassy state do not deviate greatly from simple additivity of the respective properties of the parent polymers. However, the melt viscosity of the PEC-rich alloys and their plateau modulus above T show drastic decreases from straight additivity. A qualitative, but not quantitative, explanation of these observations is offered.     

A unified description of sum frequency generation,parametric down conversion and two-photon fluorescence

A superoperator non-equilibrium Green's function formalism is presented for computing nonlinear optical processes involving any combination of classical and quantum optical modes. Closed correlation-function expressions based on superoperator time-ordering are derived for the combined effects of causal response and non-causal spontaneous fluctuations. Coherent three wave mixing (sum frequency generation and parametric down conversion) involving one and two quantum optical modes, respectively, are compared with their incoherent counterparts: two-photon-induced fluorescence and two-photon-emitted fluorescence.     

Two-dimensional correlation spectroscopy of two-exciton resonances in semiconductor quantum wells

We propose a three-pulse coherent ultrafast optical technique that is particularly sensitive to two-exciton correlations. Two Liouville-space pathways for the density matrix contribute to this signal which reveals double quantum coherences when displayed as a two-dimensional correlation plot. Two-exciton couplings spread the cross peaks along both axes, creating a characteristic highly resolved pattern. This level of detail is not available from conventional one-dimensional four-wave mixing or other two-dimensional correlation spectroscopy signals such as the photo echo, in which two-exciton couplings show up along a single axis and are highly congested.     

A low molecular weight hydrogel which exhibits electroosmotic flow and its use as a bioreactor and for electrochromatography of neutral species

A low molecular weight hydrogel which exhibits electroosmotic flow is described, and its use for separation and biocatalytic applications that require passage of a solvent stream through the gel is demonstrated.     

Probing electron correlations in molecules by two-dimensional coherent optical spectroscopy

The nonlinear optical signal generated in phenol by three femtosecond pulses with wavevectors k1, k2, and k3 in the phase-matching direction k1 + k2 - k3 is simulated. This two-dimensional coherent spectroscopy (2DCS) signal has a rich pattern containing information on double-excitation states. The signal vanishes for uncorrelated electrons due to interference among quantum pathways and, thus, provides direct signatures of correlated many-electron wavefunctions. This is illustrated by the very different 2DCS signals predicted by two levels of electronic structure calculations: state-averaged complete active space self-consistent field (SA-CASSCF) and multistate multiconfigurational second-order perturbation theory (MS-CASPT2).     

Vibrational-exciton couplings for the amide I, II, III, and A modes of peptides

The couplings between all amide fundamentals and their overtones and combination vibrational states are calculated. Combined with the level energies reported previously (Hayashi, T.; Zhuang, W.; Mukamel, S. J. Phys. Chem. A 2005, 109, 9747), we obtain a complete effective vibrational Hamiltonian for the entire amide system. Couplings between neighboring peptide units are obtained using the anharmonic vibrational Hamiltonian of glycine dipeptide (GLDP) at the BPW91/6-31G(d,p) level. Electrostatic couplings between non-neighboring units are calculated by the fourth rank transition multipole coupling (TMC) expansion, including 1/R3 (dipole-dipole), 1/R4 (quadrupole-dipole), and 1/R5 (quadrupole-quadrupole and octapole-dipole) interactions. Exciton delocalization length and its variation with frequency in the various amide bands are calculated. The simulated infrared amide I and II absorptions and CD spectra of 24 residue alpha-helical motifs (SPE3) are in good agreement with experiment.     

Weak exciton scattering in molecular nanotubes revealed by double-quantum two-dimensional electronic spectroscopy

The two-exciton manifold of a double-wall cylindrical molecular aggregate is studied using a coherent third order optical technique. Experiments reveal the anharmonic character of the exciton bands. Atomistic simulations of the exciton-exciton scattering show that the excitons can be treated as weakly coupled hard-core bosons. The weak coupling stems from the extended exciton delocalization made possible by the nanotube geometry.