We have demonstrated a solution to this problem that harnesses the computational power of today’s large massively parallel computers by combining a CA-4948 classical Wang-Landau Monte-Carlo calculation [F. Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001)] with our first principles multiple scattering electronic structure code [Y. Wang et al., Phys. Rev. Lett. 75, 2867 (1995)] that allows the energy calculation of constrained magnetic states [M. Eisenbach et al.,
Proceedings of the Conference on High Performance Computing, Networking, Storage and Analysis (ACM, New York, 2009)]. We present our calculations of finite temperature properties of Fe and Fe3C using this approach and we find the Curie temperatures to be 980 and 425K, respectively. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3562218]“
“An emulsion polymerization method was employed to prepare pulverized expandable graphite (pEG)-poly(methyl methacrylate-acrylic acid) copolymer [(PMA)] composite particles, and then the pEG-P(MA) particles were used for a flame retardant of the rigid polyurethane foam (RPUF). Fourier transform infrared (FTIR) spectroscopy data demonstrated
the Epigenetics inhibitor existence of P(MA) in the pEG-P(MA) particles, and the result of the thermogravimetric analysis (TGA) indicated that the content of P(MA) was 24.3 wt %. Morphological observation showed that the pEG particles were encapsulated by a layer of polymer coating to form typical core-shell composite particles. Due to the possible reaction between -COOH of pEG-P(MA) and R-CNO of isocyanate, the compatibility between the selleckchem composite particles
and the RPUF matrix was highly enhanced. In contrast to the pEG, the limiting oxygen index (LOI), the horizontal and vertical burning tests showed the pEG-P(MA) composite particles could improve the flame retardancy effectively. The improved flame retardancy of the RPUF matrix was attributed to the increased expansion volume ratio of pEG-P(MA) particles as exposed to fire. The dynamical mechanical analysis (DMA) showed that the incorporation of the core-shell particles could improve the storage modulus and tan delta of the RPUF composites. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 932-941, 2011″
“The regulation of gene expression is an important determinant of organismal phenotype and evolution. However, the widespread recognition of this fact occurred long after the synthesis of evolution and genetics. Here, we give a brief sketch of thoughts regarding gene regulation in the history of evolution and genetics.