349 research outputs found
Recommended from our members
Liquid/vapor surface tension of metals: Embedded atom method with charge gradient corrections
Molecular dynamics (MD) simulations for three separately parameterized embedded atom methods (EAM) function sets are used to determine the liquid/vapor surface tension {gamma} for Al, Ni, Cu, Ag, and Au. The three EAM models differ in both the functional forms employed and the fitting procedure used. All the EAM potentials underestimate {gamma} but one of the models performs consistently better than the others. The authors show that including a correction to the local charge density associated with gradients in the density together with exploiting the invariance of the EAM bulk potential to appropriate transformations in the charge density can lead to improved values for {gamma}, as well as for solid free surface energies, within existing EAM function sets
Modeling metallic island coalescence stress via adhesive contact between surfaces
Tensile stress generation associated with island coalescence is almost
universally observed in thin films that grow via the Volmer-Weber mode. The
commonly accepted mechanism for the origin of this tensile stress is a process
driven by the reduction in surface energy at the expense of the strain energy
associated with the deformation of coalescing islands during grain boundary
formation. In the present work, we have performed molecular statics
calculations using an embedded atom interatomic potential to obtain a
functional form of the interfacial energy vs distance between two closely
spaced free surfaces. The sum of interfacial energy plus strain energy provides
a measure of the total system energy as a function of island separation.
Depending on the initial separation between islands, we find that in cases
where coalescence is thermodynamically favored, gap closure can occur either
spontaneously or be kinetically limited due to an energetic barrier. Atomistic
simulations of island coalescence using conjugate gradient energy minimization
calculations agree well with the predicted stress as a function of island size
from our model of spontaneous coalescence. Molecular dynamics simulations of
island coalescence demonstrate that only modest barriers to coalescence can be
overcome at room temperature. A comparison with thermally activated coalescence
results at room temperature reveals that existing coalescence models
significantly overestimate the magnitude of the stress resulting from island
coalescence.Comment: 20 pages, 8 figures, 2 tables, submitted to PR
Spreading Dynamics of Polymer Nanodroplets
The spreading of polymer droplets is studied using molecular dynamics
simulations. To study the dynamics of both the precursor foot and the bulk
droplet, large drops of ~200,000 monomers are simulated using a bead-spring
model for polymers of chain length 10, 20, and 40 monomers per chain. We
compare spreading on flat and atomistic surfaces, chain length effects, and
different applications of the Langevin and dissipative particle dynamics
thermostats. We find diffusive behavior for the precursor foot and good
agreement with the molecular kinetic model of droplet spreading using both flat
and atomistic surfaces. Despite the large system size and long simulation time
relative to previous simulations, we find no evidence of hydrodynamic behavior
in the spreading droplet.Comment: Physical Review E 11 pages 10 figure
Recommended from our members
Wheat varieties for the Columbia River Basin of Oregon
Published December 1932. Facts and recommendations in this publication may no longer be valid. Please look for up-to-date information in the OSU Extension Catalog: http://extension.oregonstate.edu/catalo
The global abundance of tree palms
Aim Palms are an iconic, diverse and often abundant component of tropical ecosystems that provide many ecosystem services. Being monocots, tree palms are evolutionarily, morphologically and physiologically distinct from other trees, and these differences have important consequences for ecosystem services (e.g., carbon sequestration and storage) and in terms of responses to climate change. We quantified global patterns of tree palm relative abundance to help improve understanding of tropical forests and reduce uncertainty about these ecosystems under climate change. Location Tropical and subtropical moist forests. Time period Current. Major taxa studied Palms (Arecaceae). Methods We assembled a pantropical dataset of 2,548 forest plots (covering 1,191 ha) and quantified tree palm (i.e., â„10 cm diameter at breast height) abundance relative to coâoccurring nonâpalm trees. We compared the relative abundance of tree palms across biogeographical realms and tested for associations with palaeoclimate stability, current climate, edaphic conditions and metrics of forest structure. Results On average, the relative abundance of tree palms was more than five times larger between Neotropical locations and other biogeographical realms. Tree palms were absent in most locations outside the Neotropics but present in >80% of Neotropical locations. The relative abundance of tree palms was more strongly associated with local conditions (e.g., higher mean annual precipitation, lower soil fertility, shallower water table and lower plot mean wood density) than metrics of longâterm climate stability. Lifeâform diversity also influenced the patterns; palm assemblages outside the Neotropics comprise many nonâtree (e.g., climbing) palms. Finally, we show that tree palms can influence estimates of aboveâground biomass, but the magnitude and direction of the effect require additional work. Conclusions Tree palms are not only quintessentially tropical, but they are also overwhelmingly Neotropical. Future work to understand the contributions of tree palms to biomass estimates and carbon cycling will be particularly crucial in Neotropical forests
- âŠ