Materials Literature
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1. INTRODUCTION: WEIGHT UNBIASED MONTE CARLO ESTIMATES Integral equations, linear functionals Terminating Markov chains Standard weight estimates in the Monte Carlo method, biasedness Variances of the standard estimates The main approaches to variance reduction The use of recurrent representations Randomization Vector…
Consiglio Nazionale delle Ricerche - Biblioteca Centrale - P.le Aldo Moro, 7, Rome / CNR - Consiglio Nazionale delle Richerche
The structure of micelles of an asymmetric polystyrene−polyisoprene (PS−PI) diblock copolymer has been studied in di- n -butyl phthalate (DBP), which is a slightly selective solvent for PS. The polymer has a molecular weight of 11 500 for the fully deuterated d -PS block and 48 500 for the PI block. Contrast variation…
Artificial photosynthetic reaction centers have been constructed on a protein surface by cofactor reconstitution, which mimic the function of photosynthetic organisms to convert light energy to chemical potential in the form of long-lived charge-separated states. They feature a ruthenium tris(2,2‘-bipyridine) moiety a…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTChiral Hyperbranched Dendron AnaloguesAlexander Sunder, Rolf Mülhaupt, Rainer Haag, and Holger FreyView Author Information Freiburger Materialforschungszentrum FMF und Institut für Makromolekulare Chemie der Albert-Ludwigs-Universit…
Poly(methyl methacrylate)- b -poly( n -butyl acrylate)- b -poly(methyl methacrylate) triblock copolymers have been prepared by ligated anionic polymerization (LAP; 8K-50K-8K) and atom transfer radical polymerization (ATRP; 9K-51K-9K). Size exclusion chromatography, nuclear magnetic resonance, and differential scanning…
Degenerate four-wave mixing measurements, using 45 ps pulses at 1064 nm, have been used to determine the magnitude of the third-order optical susceptibility tensor for thin films of a conjugated porphyrin polymer. The time dependence of the signals indicates that the dominant response is fast relative to the duration…
The growth and interaction of Ag with the TiO 2 (110) (1 × 1) and (1 × 2) surfaces were studied by X-ray photoemission spectroscopy (XPS), low-energy ion scattering (LEIS), low-energy electron diffraction (LEED), and scanning tunneling microscopy (STM). At 300 K, both LEIS and STM data indicate that Ag grows three-dim…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTDirect Observation of the "Pac-Man" Effect from Dibenzofuran-Bridged Cofacial BisporphyrinsYongqi Deng, Christopher J. Chang, and Daniel G. NoceraView Author Information Department of Chemistry, 6-335 Massachusetts Institute of Technology 77 Massachusetts Avenue Cambri…
This second paper in this series regarding the relationship between structure and viscoelastic properties of multiblock polyurethane elastomers presents the results of varying segmental incompatibility at fixed segment length and composition. Three series of amorphous polyurethanes with pendant trimethylammonium group…
Energy barriers for different moves of a single Rh adatom in the vicinity of steps on Rh(111) surface are studied with molecular statics. Interatomic interactions are modeled by the semi-empirical many-body Rosato-Guillope-Legrand potential. We calculate systematically barriers for the descent at straight steps, steps…
The structural basis for the aggregation-induced optical properties of colloidal gold nanosphere aggregates is examined by means of electrodynamics calculations. Recently developed methods for calculating the electrodynamic response of aggregates composed of large numbers of small metal nanospheres in a dielectric med…
This Account reviews our laboratory's research in biomaterials. In one area, drug delivery, we discuss the development of materials that are capable of releasing macromolecules such as proteins and peptides, intelligent delivery systems based on magnetism or microchip technology, new degradable materials such as polya…
Dynamics of poly(ethylene oxide)−polystyrene (PEO−PS) brushes with shorter anchoring PEO blocks adsorbed on a flat surface are considered theoretically. Three relaxation modes are identified: a fast cooperative (hydrodynamic) mode, a slower drag mode, and the slowest anchor-sliding mode. It is shown that the anchor mo…
Efficient numerical methods for simulating cloth deformations have been identified as the key to the development of successful Computer-Aided Design systems for clothing products. This paper presents the formulation of a new finite-volume method for the simulation of complex deformations of initially flat woven fabric…
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Manipulation of the defect chemistry in ZnS:Mn and SrS:Cu bulk and thin-film phosphors has resulted in specific and controllable emission colors across the entire visible spectrum. Saturated red emission is observed at exceptionally low threshold voltages in ac thin-film electroluminescent devices, while unsurpassed l…
Evaluation of polymer end-capping reactions with the aid of electrospray ionisation tandem mass spectrometry techniques (ESI-MS(n)) allows characterisation of novel poly[(R, S)-3-hydroxybutanoic acid]-(a-PHB) telechelics, containing primary hydroxyl groups at both polymer chain ends. The chemical structures of individ…
The arrangements of residual water and alkali-metal cations in zeolites Y and X have been determined by Rietveld refinement in combination with Fourier analysis of X-ray powder patterns. The sodium forms NaY and NaX as well as partially cation exchanged forms MNaY and MNaX (M = K, Rb, Cs) were studied. It was shown th…
The thermally-induced phase separation mechanism was investigated for the system isotactic polypropylene and diphenyl ether. Droplet growth was monitored by using a thermo-optical microscope. The degree of supercooling for liquid-liquid phase separation affected the size and growth rate of the droplets. Increasing the…