Multicolor up-conversion emissions of Tm3+/Er3+/Yb3+ tri-doped YF3 phosphors (2008)
Cao, Chunyan, Qin, Weiping, Zhang, Jisen, Zhang, Jishuang, Wang, Yan, Jin, Ye, ...
Tm3+/Er3+/Yb3+ tri-doped yttrium fluoride (YF3) phosphors were prepared by a facile hydrothermal method. X-ray topographic analysis found that the phosphors were crystallized products. Their sizes...
Synthesis and photophysical properties of core-shell Eu(DBM)(3)phen/TiO2 nanohybrids (2008)
Qin, Weiping, Zhao, Dan, Zhang, Jisen, Zhang, Jishuang, Wang, Yan, Cao, Chunyan, ...
The core-shell titania (TiO2) hybrid spheres embedded with tris(dibenzoylmethanato)phenanthroline [Eu-(DBM)(3)phen] complex clusters were fabricated by a modified Stober method. Under ultraviolet...
Kinks in a/2<111> Screw Dislocation in Ta (2008)
Guofeng Wang, Ro Strachan, Tahir Cagin, Guofeng Wang, Ro Strachan, ...
We study the structure and formation energy of kinks in 1/2a<111> screw dislocations in metallic Tantalum using molecular dynamics with a first principles based many-body interatomic potential....
Caltech Asci Technical Report 113 (2008)
Guofeng Wang, Ro Strachan, Tahir Cagin, Guofeng Wang, ...
We study the structure and formation energy of the kinks in 1/2a screw dislocation in metallic Ta via the low temperature (0.001K) molecular dynamics with a first principle based, Embedded-Atom-Model...
Caltech Asci Technical Report 121 (2008)
Guofeng Wang, Ro Strachan, Tahir Cagin, Guofeng Wang, ...
Using a Quantum Mechanics (QM) based, many body force field for tantalum with Molecular Dynamics (MD), we calculate the core structure, core energy, Peierls energy barrier and stress for a screw...
Tahir Cagin, Guofeng Wang, Ryan Martin, Georgios Zamanakos, Daniel T. Mainz
Dendrimers and hyperbranched polymers represent a novel class of structurally controlled macromolecules derived from a branches-upon-branches structural motif. The synthetic procedures developed for...
Recent Advances in Simulation of Dendritic Polymers (2007)
Tahir Cagin, Paul J. Miklis, Guofeng Wang, Georgios Zamanakos, Ryan Martin, Hao Li, ...
Dendrimers and hyperbranched polymers represent a revolution in methodology for directed synthesis of monodisperse polymers with enormous possibility of novel architectures. They demonstrate ability...
Wang, Guofeng, Van Hove, Michel A., Ross, Phil N., Baskes, Michael I.
This review addresses the issue of surface segregation in bimetallic alloy nanoparticles, which are relevant to heterogeneous catalysis, in particular for electro-catalysts of fuel cells. We describe...
Wang, Guofeng, Van Hove, M.A., Ross, P.N., Baskes, M.I.
The surface structures of cubo-octahedral Pt-Mo nanoparticles have been investigated using the Monte Carlo method and modified embedded atom method potentials that we developed for Pt-Mo alloys. The...
Monte Carlo Simulations of Segregation in Pt-Ni Catalyst Nanoparticles (2004)
Wang, Guofeng, Van Hove, Michel A., Ross, Philip N., Baskes, M.I.
We have investigated the segregation of Pt atoms in the surfaces of Pt-Ni nanoparticles, using Modified Embedded Atom Model potentials and the Monte Carlo method. The nanoparticles are assumed to...
Monte carlo simulations of segregation in Pt-Re catalyst nanoparticles (2004)
Wang, Guofeng, Van Hove, M.A., Ross, P.N., Baskes, M.I.
We have investigated the segregation of Pt atoms to the surfaces of Pt-Re nanoparticles using the Monte Carlo method and Modified Embedded Atom Method potentials that we have developed for Pt-Re...
Wang, Guofeng, Van Hove, M.A., Ross, P.N., Baskes, M.I.
We have developed interatomic potentials for Pt-Ni and Pt-Re alloys within the modified embedded atom method (MEAM). Furthermore, we applied these potentials to study the equilibrium structures of...
INSTITUTE OF PHYSICS PUBLISHING MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2004)
We introduce a novel approach to calculating the Peierls energy barrier (and Peierls stress) based on the analysis of the dislocation migration dynamics, which we apply to 1/ 2a#111# screw...
Atomistic simulations of kinks in 1/2a screw dislocations in bcc tantalum (2003)
Wang, Guofeng, Strachan, Alejandro, Çağin, Tahir
Two types of equilibrium core structures (denoted symmetric and asymmetric) for 1/2a screw dislocations in bcc metals have been found in atomistic simulations. In asymmetric (or polarized) cores, the...
Wang, Guofeng, Strachan, Alejandro, Çağin, Tahir
We use a family of embedded atom model potentials all based on accurate quantum-mechanical calculations to study the relation between Peierls stress and core properties of the 1/2a‹111› screw...
Molecular dynamics simulations of 1/2a¡111¿ screw dislocation (2001)
Guofeng Wang, Ro Strachan, Tahir Cagin
Using a new, first principles based, embedded-atom-method (EAM) potential for tantalum (Ta), we have carried out molecular dynamics (MD) simulations to investigate the core structure, core energy and...
Tahir Cagin, Guofeng Wang, Ryan Martin, Georgios Zamanakos, Nagarajan Vaidehi, T. Mainz, ...
Multiscale modeling and simulation methods with applications
Molecular modelling of dendrimers for nanoscale applications (2000)
Çağin, Tahir, Wang, Guofeng, Martin, Ryan, Breen, Nicholas
Dendrimers are well defined, highly branched macromolecules that radiate from a central core and are synthesized through a stepwise, repetitive reaction sequence that guarantees complete shells for...
Molecular Modelling of Dendrimers for Nanoscale Applications (2000)
Tahir Çagin, Tahir Ça ˘gın, Guofeng Wang, Ryan Martin, Nicholas Breen, ...
. Dendrimers are well defined, highly branched macromolecules that radiate from a central core and are synthesized through a stepwise, repetitive reaction sequence that guarantees complete shells for...