Short-range ordering in face-centered-cubic Ni3Al

Films of fcc Ni3Al with suppressed short-range order (SRO) were prepared by physical vapor deposition of Ni3Al onto room-temperature substrates. Extended electron energy-loss fine-structure spectra were obtained from both Al K and Ni L23 edges. After the samples were annealed for various times at 150 °C, a moderate growth of SRO was observed in the first-nearest-neighbor environments of both the Al and Ni atoms. As prepared, these fcc Ni3Al materials, and presumably others having similar heat evolutions as measured by differential scanning calorimetry, have a high degree of chemical disorder

Highly Reversible Lithium Storage in Nanostructured Silicon

Anode materials of nanostructured silicon have been prepared by physical vapor deposition and characterized using electrochemical methods. The electrodes were prepared in thin-film form as nanocrystalline particles (12 nm mean diameter) and as continuous amorphous thin films (100 nm thick). The nanocrystalline silicon exhibited specific capacities of around 1100 mAh/g with a 50% capacity retention after 50 cycles. The amorphous thin-film electrodes exhibited initial capacities of 3500 mAh/g with a stable capacity of 2000 mAh/g over 50 cycles. We suggest that the nanoscale dimensions of the silicon circumvents conventional mechanisms of mechanical deterioration, permitting good cycle life

Transition metal d-band occupancy in skutterudites studied by electron energy-loss spectroscopy

The transition-metal 3d occupancy of a series of thermoelectric skutterudites is investigated using electron energy-loss spectroscopy. We find that bonding causes an emptying of the 3d states in the binary skutterudites CoP3, CoAs3, CoSb3, and NiP3, while compared to the pure Fe the 3d occupancy in LaFe4P12 is significantly increased, consistent with the idea that each interstitial La atom (rattler) donates three electrons to compensate for missing valence electron of Fe as compared to Co. These experimental results are in agreement with previous models suggesting a predominantly covalent bonding between transition metal and pnictogen atoms in skutterudites, and provide evidence of charge transfer from La to the Fe-P complex in LaFe4P12

Hydrogen adsorption and phase transitions in fullerite

Hydrogen desorption and adsorption properties of the fullerene materials C60, C70, and fullerite (a mixture of C60 and C70) were measured volumetrically using a Sievert's apparatus. Over several cycles of isotherm measurements at 77 K, the hydrogen storage capacities of one of the fullerite samples increased from an initial value of 0.4 wt % for the first cycle to a capacity of 4.4 wt % for the fourth cycle. Correspondingly, the surface area of this sample increased from 0.9 to 11 m^2/g, and there were changes in its x-ray powder diffraction pattern. In comparison, two other fullerite samples, prepared by a different procedure showed no such behavior. Pure C60 and pure C70 were also cycled and exhibited small and constant capacities of 0.7 and 0.33 wt %, respectively, as a function of number of cycles. The enhanced storage capacity of fullerite material is tentatively attributed to the presence of C60 oxide

Nanocrystalline and Thin Film Germanium Electrodes with High Lithium Capacity and High Rate Capabilities

Germanium nanocrystals (12 nm mean diam) and amorphous thin films (60-250 nm thick) were prepared as anodes for lithium secondary cells. Amorphous thin film electrodes prepared on planar nickel substrates showed stable capacities of 1700 mAh/g over 60 cycles. Germanium nanocrystals showed reversible gravimetric capacities of up to 1400 mAh/g with 60% capacity retention after 50 cycles. Both electrodes were found to be crystalline in the fully lithiated state. The enhanced capacity, rate capability (1000C), and cycle life of nanophase germanium over bulk crystalline germanium is attributed to the high surface area and short diffusion lengths of the active material and the absence of defects in nanophase materials

Pore size distribution and supercritical hydrogen adsorption in activated carbon fibers

Pore size distributions (PSD) and supercritical H_2 isotherms have been measured for two activated carbon fiber (ACF) samples. The surface area and the PSD both depend on the degree of activation to which the ACF has been exposed. The low-surface-area ACF has a narrow PSD centered at 0.5 nm, while the high-surface-area ACF has a broad distribution of pore widths between 0.5 and 2 nm. The H_2 adsorption enthalpy in the zero-coverage limit depends on the relative abundance of the smallest pores relative to the larger pores. Measurements of the H_2 isosteric adsorption enthalpy indicate the presence of energy heterogeneity in both ACF samples. Additional measurements on a microporous, coconut-derived activated carbon are presented for reference

Element-centric clustering comparison unifies overlaps and hierarchy

Clustering is one of the most universal approaches for understanding complex data. A pivotal aspect of clustering analysis is quantitatively comparing clusterings; clustering comparison is the basis for many tasks such as clustering evaluation, consensus clustering, and tracking the temporal evolution of clusters. In particular, the extrinsic evaluation of clustering methods requires comparing the uncovered clusterings to planted clusterings or known metadata. Yet, as we demonstrate, existing clustering comparison measures have critical biases which undermine their usefulness, and no measure accommodates both overlapping and hierarchical clusterings. Here we unify the comparison of disjoint, overlapping, and hierarchically structured clusterings by proposing a new element-centric framework: elements are compared based on the relationships induced by the cluster structure, as opposed to the traditional cluster-centric philosophy. We demonstrate that, in contrast to standard clustering similarity measures, our framework does not suffer from critical biases and naturally provides unique insights into how the clusterings differ. We illustrate the strengths of our framework by revealing new insights into the organization of clusters in two applications: the improved classification of schizophrenia based on the overlapping and hierarchical community structure of fMRI brain networks, and the disentanglement of various social homophily factors in Facebook social networks. The universality of clustering suggests far-reaching impact of our framework throughout all areas of science