Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, ...

Although solid Au is usually most stable as a face-centered cubic (fcc) structure, pure hexagonal close-packed (hcp) Au has been successfully fabricated recently. However, the phase stability and mechanical property of this new material are unclear, which may restrict its further applications. Here we present the evidence that hcp → fcc phase transformation can proceed easily in Au by first-pri...

During the fast switching in Ge2Sb2Te5 phase change memory devices, both the amorphous and fcc crystalline phases remain metastable beyond the fcc and hexagonal transition temperatures respectively. In this work, the metastable electrical properties together with crystallization times and resistance drift behaviour of GST are studied using a high-speed, device-level characterization technique i...

We describe a parameterized family of genetic algorithms for efficient front calculations under uncertainty. Parameters for the algorithms all have clear statistical meaning and serve to reduce the overall computational effort and to ensure solution quality and diversity in the solution set. FCC Report 747-071028-289 v vi FCC Report 747-071028-289

We investigate film morphologies of heteroepitaxial face-centered cubic (fcc) thin metal adlayers gro.wn on fcc( 1 1 1) metal substrates using a statistical-mechanical mean-field theory. In order to develop a general understanding of how various intrinsic properties of the film and substrate dictate the thermodynamicallypreferred film structures, fourteen fcc( 11 l)/fcc( 1 11) interfaces with l...

We investigated if certain phases of performance monitoring show differential sensitivity to external feedback and thus rely on distinct mechanisms. The phases of interest were: the error phase (FE), the phase of the correct response after errors (FEC), and the phase of correct responses following corrects (FCC). We tested accuracy and reaction time (RT) on 12 conditions of a continuous-choice-...

BACKGROUND Family-centered care (FCC) involves holistic care and requires cooperation with the family in planning, intervention, and the evolution of the care that is being provided. Many previous studies have provided results that indicate the importance of the family's involvement in pediatric care, but there is still resistance in doing so within the organizational culture of the hospitals i...

Plane-wave pseudopotential Density Functional Theory (OFT) periodic slab calculations were performed usingthe giteralized gradient approximation (GHA) to investigate the adsorption of nitric oxide(NO) on the (I II)surface of Cu. Copper rface was stimulated using th P 'odic Slab Method consisting of Five atomic Layers.Four different adsorption saes (Atop. Bridge, RCP Hollow, and FCC Hollow) were...

By extending the nonequilibrium potential refinement algorithm and lattice switch method to the semigrand ensemble, the semigrand potentials of the fcc and hcp structures of polydisperse hard-sphere crystals are calculated with the bias sampling scheme. The result shows that the fcc structure is more stable than the hcp structure for polydisperse hard-sphere crystals below the terminal polydisp...