The photovoltaic properties of an Al In As/InP heterojunctions grown by LPE method

Work is presented on heterojunction solar cells which were studied under the NASA/Arizona State University intern program. The heterojunction solar cells were fabricated by the liquid phase epitaxy method. The basic conversion efficiency was measured at 5 percent. It was determined that a thicker epilayer is needed, and that the density of recombination center should be reduced to give a smaller saturation current and hence a larger open-circuit voltage

Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen.

ForceGen is a template-free, non-stochastic approach for 2D to 3D structure generation and conformational elaboration for small molecules, including both non-macrocycles and macrocycles. For conformational search of non-macrocycles, ForceGen is both faster and more accurate than the best of all tested methods on a very large, independently curated benchmark of 2859 PDB ligands. In this study, the primary results are on macrocycles, including results for 431 unique examples from four separate benchmarks. These include complex peptide and peptide-like cases that can form networks of internal hydrogen bonds. By making use of new physical movements ("flips" of near-linear sub-cycles and explicit formation of hydrogen bonds), ForceGen exhibited statistically significantly better performance for overall RMS deviation from experimental coordinates than all other approaches. The algorithmic approach offers natural parallelization across multiple computing-cores. On a modest multi-core workstation, for all but the most complex macrocycles, median wall-clock times were generally under a minute in fast search mode and under 2 min using thorough search. On the most complex cases (roughly cyclic decapeptides and larger) explicit exploration of likely hydrogen bonding networks yielded marked improvements, but with calculation times increasing to several minutes and in some cases to roughly an hour for fast search. In complex cases, utilization of NMR data to constrain conformational search produces accurate conformational ensembles representative of solution state macrocycle behavior. On macrocycles of typical complexity (up to 21 rotatable macrocyclic and exocyclic bonds), design-focused macrocycle optimization can be practically supported by computational chemistry at interactive time-scales, with conformational ensemble accuracy equaling what is seen with non-macrocyclic ligands. For more complex macrocycles, inclusion of sparse biophysical data is a helpful adjunct to computation

Numerical Models of Binary Neutron Star System Mergers. I.: Numerical Methods and Equilibrium Data for Newtonian Models

The numerical modeling of binary neutron star mergers has become a subject of much interest in recent years. While a full and accurate model of this phenomenon would require the evolution of the equations of relativistic hydrodynamics along with the Einstein field equations, a qualitative study of the early stages on inspiral can be accomplished by either Newtonian or post-Newtonian models, which are more tractable. In this paper we offer a comparison of results from both rotating and non-rotating (inertial) frame Newtonian calculations. We find that the rotating frame calculations offer significantly improved accuracy as compared with the inertial frame models. Furthermore, we show that inertial frame models exhibit significant and erroneous angular momentum loss during the simulations that leads to an unphysical inspiral of the two neutron stars. We also examine the dependence of the models on initial conditions by considering initial configurations that consist of spherical neutron stars as well as stars that are in equilibrium and which are tidally distorted. We compare our models those of Rasio & Shapiro (1992,1994a) and New & Tohline (1997). Finally, we investigate the use of the isolated star approximation for the construction of initial data.Comment: 32 pages, 19 gif figures, manuscript with postscript figures available at http://www.astro.sunysb.edu/dswesty/docs/nspap1.p

Effects Of Sample Orientation On The Corrosion Of Zinc In Ammonium Sulfate And Sodium Hydroxide Solutions

The corrosion and electrochemical properties of three zinc single crystal surfaces with different orientations have been investigated. In near-neutral 1 M (NH4)2SO4, the corrosion rates on all three surfaces were found to be similar. However, the SEM morphologies of the corresponding corroded surfaces were markedly different from each other, but consistent with preferential attack of {1120} surfaces. In alkaline 0.5 N NaOH solution, the three sample orientations showed significantly different reactivities, with the (1120) surface exhibiting the highest reactivity and corrosion rate. Here, passivation ultimately occurred and the difference in the corrosion performance of the three surfaces, even for small overvoltages, is attributed to the presence of oxide or hydrated oxide films. © 1991