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CreatorTitleDescriptionSubjectDate
1 Liu, FengMechanism for nanotube formation from self-bending nanofilms driven by atomic-scale surface-stress imbalanceWe demonstrate, by theoretical analysis and molecular dynamics simulation, a mechanism for fabricating nanotubes by self-bending of nanofilms under intrinsic surface-stress imbalance due to surface reconstruction. A freestanding Si nanofilm may spontaneously bend itself into a nanotube without exter...Nanotube formation; Self-bending nanofilms; Surface-stress imbalance2007-04
2 Liu, FengComputational R&D for industrial applicationsRecent advances in high-speed supercomputer and computational algorithms have brought us into a new era of computational materials science. These advances make it possible to investigate many existing materials systems that were previously considered intractable and also predict and design novel mat...Computational materials science2005
3 Liu, FengModified Timoshenko formula for bending of ultrathin strained bilayer filmsMechanical bending of nanoscale thin films can be quite different from that of macroscopic thick films. However, current understanding of mechanical bending of nanoscale thin strained bilayer films is often limited within the Timoshenko model [Timoshenko, J. Opt. Soc. Am. 11, 233 (1925)], which was ...Timoshenko formula; Bending theory; Ultrathin films; Strained nanoscale thin films; Nanofilms2008
4 Tiwari, AshutoshNanostructured DLC-Ag composites for biomedical applicationsWe have synthesized novel diamondlike carbon coatings with silver nanoparticles embedded into the DLC film. The size of silver nanoparticles that are confined into layered structures has been varied from 5 nm to 50 nm using an ingenious pulsed laser deposition technique. The size of nanoparticles wa...Diamondlike carbon coatings; Nanocrystals2003
5 Bedrov, Dmitro; Smith, Grant D.Exploration of conformational phase space in polymer melts: a comparison of parallel tempering and conventional molecular dynamics simulationsParallel tempering molecular dynamics simulations have been performed for 1,4-polybutadiene polymer melts in the 323 K-473 K temperature domain at atmospheric pressure. The parallel tempering approach provides a vast improvement in the equilibration and sampling of conformational phase space for ...Polymer melts; 1,4-polybutadiene; Conformational phase space; Parallel tempering2001
6 Ostafin, AgnesCombined deletion of mouse dematin-headpiece and ß-adducin exerts a novel effect on the spectrin-actin junctions leading to erythrocyte fragility and hemolytic AnemiaDematin and adducin are actin-binding proteins of the erythrocyte "junctional complex." Individually, they exert modest effects on erythrocyte shape and membrane stability, and their homologues are expressed widely in non-erythroid cells. Here we report generation and characterization of double knoc...2007
7 Liu, FengA three-layer-mesh bridging domain for coupled atomistic-continuum simulations at finite temperature: formulation and testingAlthough concurrent multiscale methods have been well developed for zero-temperature simulations, improvements are needed to meet challenges pertaining to finite-temperature simulations. Bridging domain method (BDM) is one of the most efficient and widely-used multiscale atomistic-continuum techniqu...2014-01-01
8 Ostafin, AgnesMonitoring the synthesis and composition analysis of microsilica encapsulated acetylacetonatocarbonyl triphenylphosphinerhodium catalyst by inductively coupled plasma (ICP) techniquesAbstract-A novel technique to monitor the synthesis process of encapsulated acetylacetonatocarbonyl triphenylphosphinerhodium within a microsilica nanoshell has been studied using inductively coupled plasma (ICP) techniques. Nanospheres sized around 50-100 nm were obtained and ICP was used to quanti...2006
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