X ray standing waves reveal lack of OH termination at hydroxylated ZnO 0001 surfaces

The vertical adsorption distances of the planar conjugated organic molecule 3,4,9,10 perylenetetracarboxylic diimide PTCDI on hydroxylated ZnO 0001 , determined with the x ray standing wave technique XSW , are at variance with adsorption geometries simulated with density functional theory for surface structure models that consider terminating OH, whereas good agreement is found for PTCDI in direct contact with the topmost Zn layer. The consequential assignment of OH to subsurface sites is supported by additional, independent XSW and energy scanned photoelectron diffraction data and calls for a reconsideration of the prevalent surface models with important implications for the understanding of ZnO 0001 surface

Hydrogen Transport and Rationalization of Porosity Formation during Welding of Titanium Alloys

The transport of hydrogen during fusion welding of the titanium alloy Ti-6Al4V is analyzed. A coupled thermodynamic/kinetic treatment is proposed for the mass transport within and around the weld pool. The modeling indicates that hydrogen accumulates in the weld pool as a consequence of the thermodynamic driving forces that arise; a region of hydrogen depletion exists in cooler, surrounding regions in the heat-affected zone and beyond. Coupling with a hydrogen diffusion-controlled bubble growth model is used to simulate bubble growth in the melt and, thus, to make predictions of the hydrogen concentration barrier needed for pore formation. The effects of surface tension of liquid metal and the radius of preexisting microbubble size on the barrier are discussed. The work provides insights into the mechanism of porosity formation in titanium alloys. © The Minerals, Metals and Materials Society and ASM International 2011