Advanced Materials & Manufacturing – Page 653

Statistical Theory for Protein Combinatorial Libraries

Kono H., Zou J., Saven J.G., University of Pennsylvania, US

Combinatorial experiments provide new ways to probe the determinants of protein folding and to identify novel folding amino acid sequences. These types of experiments, however, are complicated by both enormous conformational complexity and by large [...]

Detecting Secondary Peptide Structures by Scaling a Genetic Algorithm

Michaud S.R., Zydallis J.B., Lamont G.B., Pachter R., Air Force Institute of Technology, US

The ability to accurately predict a polypeptide's molecular structure given its amino acid sequence is important to numerous scientific, medical, and engineering applications. Studies have been conducted in the application of Genetic Algorithms (GAs) to [...]

Bioinformatics/Mathematical Biology

Heterogeneous Thin Films of Martensitic Materials with Application to Large Strain Microactuators

Shu Y.C., California Institute of Technology, US

We propose a multiscale modeling to study the effective behavior of a heterogeneous thin film accounting in detail for the underlying microstructure, grain sizes and the film thickness. Motivated by the recent study of shape-memory [...]

Computing Isomeric Higher and Smaller Fullerenes: Materials Controlled by a Profound Enthalpy/Entropy Interplay

Zhao X., Slanina Z., Osawa E., Toyohashi University of Technology, JP

Early results from the eighties for small carbon clusters like C4 or C6 have suggested that the combined quantum-chemical and statistical-mechanical computations could show some interesting temperature effects also for isomeric fullerenes. This feature was [...]

Contribution of Hexagonal-like Structure to the Nonlinear Optics in SiC Nanocrystalites

Plucinski K.J., Kityk I.V., Kassiba A., Miltary University of Technology, PL

The influence of the degree of hexagonality on the photoinduced second harmonic generation (PISHG) in SiC large-sized nanocrystallites, with sizes ranging from 10 – 30 nm and incorporated into an oligoetheracrylate photopolymer matrix was investigated. [...]

Numerical Simulation of Periodical Distribution of Antisite Defects in Irradiated Semiconductors

Mykhaylovskyy V.V., Russell K.C., Sugakov V.I., Academy of Science of Ukraine, UA

A simulation of radiation-induced instability in binary semiconductors, such as GaAs, was fulfilled. The instability is connected with antisite defects accumulated. It was shown that the number of antisite defects in crystal under irradiation can [...]

Sector: Advanced Materials & Manufacturing

Statistical Theory for Protein Combinatorial Libraries

Detecting Secondary Peptide Structures by Scaling a Genetic Algorithm

Bioinformatics/Mathematical Biology

Heterogeneous Thin Films of Martensitic Materials with Application to Large Strain Microactuators

Computing Isomeric Higher and Smaller Fullerenes: Materials Controlled by a Profound Enthalpy/Entropy Interplay

Contribution of Hexagonal-like Structure to the Nonlinear Optics in SiC Nanocrystalites

Numerical Simulation of Periodical Distribution of Antisite Defects in Irradiated Semiconductors

Monte Carlo Simulation Study of Mechanical Properties of Au Nanowires

Simulations for Optimized Piezoresistors

Heterogeneous Thin Films of Martensitic Materials with Application to Large Strain Microactuators