Structures and materials technology issues for reusable launch vehicles

Projected space missions for both civil and defense needs require significant improvements in structures and materials technology for reusable launch vehicles: reductions in structural weight compared to the Space Shuttle Orbiter of up to 25% or more, a possible factor of 5 or more increase in mission life, increases in maximum use temperature of the external surface, reusable containment of cryogenic hydrogen and oxygen, significant reductions in operational costs, and possibly less lead time between technology readiness and initial operational capability. In addition, there is increasing interest in hypersonic airbreathing propulsion for launch and transmospheric vehicles, and such systems require regeneratively cooled structure. The technology issues are addressed, giving brief assessments of the state-of-the-art and proposed activities to meet the technology requirements in a timely manner

Polarization forces in water deduced from single molecule data

Intermolecular polarization interactions in water are determined using a minimal atomic multipole model constructed with distributed polarizabilities. Hydrogen bonding and other properties of water-water interactions are reproduced to fine detail by only three multipoles $\mu_H$, $\mu_O$, and $\theta_O$ and two polarizabilities $\alpha_O$ and $\alpha_H$, which characterize a single water molecule and are deduced from single molecule data.Comment: 4 revtex pages, 3 embedded color PS figure

The local electronic structure of alpha-Li3N

New theoretical and experimental investigation of the occupied and unoccupied local electronic density of states (DOS) are reported for alpha-Li3N. Band structure and density functional theory calculations confirm the absence of covalent bonding character. However, real-space full-multiple-scattering (RSFMS) calculations of the occupied local DOS finds less extreme nominal valences than have previously been proposed. Nonresonant inelastic x-ray scattering (NRIXS), RSFMS calculations, and calculations based on the Bethe-Salpeter equation are used to characterize the unoccupied electronic final states local to both the Li and N sites. There is good agreement between experiment and theory. Throughout the Li 1s near-edge region, both experiment and theory find strong similarities in the s- and p-type components of the unoccupied local final density of states projected onto an orbital angular momentum basis (l-DOS). An unexpected, significant correspondence exists between the near-edge spectra for the Li 1s and N 1s initial states. We argue that both spectra are sampling essentially the same final density of states due to the combination of long core-hole lifetimes, long photoelectron lifetimes, and the fact that orbital angular momentum is the same for all relevant initial states. Such considerations may be generically applicable for low atomic number compounds.Comment: 34 pages, 7 figures, 1 tabl

Magnetic Structure in Fe/Sm-Co Exchange Spring Bilayers with Intermixed Interfaces

The depth profile of the intrinsic magnetic properties in an Fe/Sm-Co bilayer fabricated under nearly optimal spring-magnet conditions was determined by complementary studies of polarized neutron reflectometry and micromagnetic simulations. We found that at the Fe/Sm-Co interface the magnetic properties change gradually at the length scale of 8 nm. In this intermixed interfacial region, the saturation magnetization and magnetic anisotropy are lower and the exchange stiffness is higher than values estimated from the model based on a mixture of Fe and Sm-Co phases. Therefore, the intermixed interface yields superior exchange coupling between the Fe and Sm-Co layers, but at the cost of average magnetization.Comment: 16 pages, 6 figures and 1 tabl

Time-resolved density correlations as probe of squeezing in toroidal Bose-Einstein condensates

I study the evolution of mean field and linear quantum fluctuations in a toroidal Bose-Einstein condensate, whose interaction strength is quenched from a finite (repulsive) value to zero. The azimuthal equal-time density-density correlation function is calculated and shows temporal oscillations with twice the (final) excitation frequencies after the transition. These oscillations are a direct consequence of positive and negative frequency mixing during non-adiabatic evolution. I will argue that a time-resolved measurement of the equal-time density correlator might be used to calculate the moduli of the Bogoliubov coefficients and thus the amount of squeezing imposed on a mode, i.e., the number of atoms excited out of the condensate.Comment: 18 pages, IOP styl

Structure determination in 55-atom Li–Na and Na–K nanoalloys

Producción CientíficaThe structure of 55-atom Li–Na and Na–K nanoalloys is determined through combined empirical potential (EP) and density functional theory (DFT) calculations. The potential energy surface generated by the EP model is extensively sampled by using the basin hopping technique, and a wide diversity of structural motifs is reoptimized at the DFT level. A composition comparison technique is applied at the DFT level in order to make a final refinement of the global minimum structures. For dilute concentrations of one of the alkali atoms, the structure of the pure metal cluster, namely, a perfect Mackay icosahedron, remains stable, with the minority component atoms entering the host cluster as substitutional impurities. At intermediate concentrations, the nanoalloys adopt instead a core-shell polyicosahedral (p-Ih) packing, where the element with smaller atomic size and larger cohesive energy segregates to the cluster core. The p-Ih structures show a marked prolate deformation, in agreement with the predictions of jelliumlike models. The electronic preference for a prolate cluster shape, which is frustrated in the 55-atom pure clusters due to the icosahedral geometrical shell closing, is therefore realized only in the 55-atom nanoalloys. An analysis of the electronic densities of states suggests that photoelectron spectroscopy would be a sufficiently sensitive technique to assess the structures of nanoalloys with fixed size and varying compositions

Stability of Mine Car Motion in Curves of Invariable and Variable Radii

We discuss our experiences adapting three recent algorithms for maximum common (connected) subgraph problems to exploit multi-core parallelism. These algorithms do not easily lend themselves to parallel search, as the search trees are extremely irregular, making balanced work distribution hard, and runtimes are very sensitive to value-ordering heuristic behaviour. Nonetheless, our results show that each algorithm can be parallelised successfully, with the threaded algorithms we create being clearly better than the sequential ones. We then look in more detail at the results, and discuss how speedups should be measured for this kind of algorithm. Because of the difficulty in quantifying an average speedup when so-called anomalous speedups (superlinear and sublinear) are common, we propose a new measure called aggregate speedup

Distributed Graph Clustering using Modularity and Map Equation

We study large-scale, distributed graph clustering. Given an undirected graph, our objective is to partition the nodes into disjoint sets called clusters. A cluster should contain many internal edges while being sparsely connected to other clusters. In the context of a social network, a cluster could be a group of friends. Modularity and map equation are established formalizations of this internally-dense-externally-sparse principle. We present two versions of a simple distributed algorithm to optimize both measures. They are based on Thrill, a distributed big data processing framework that implements an extended MapReduce model. The algorithms for the two measures, DSLM-Mod and DSLM-Map, differ only slightly. Adapting them for similar quality measures is straight-forward. We conduct an extensive experimental study on real-world graphs and on synthetic benchmark graphs with up to 68 billion edges. Our algorithms are fast while detecting clusterings similar to those detected by other sequential, parallel and distributed clustering algorithms. Compared to the distributed GossipMap algorithm, DSLM-Map needs less memory, is up to an order of magnitude faster and achieves better quality.Comment: 14 pages, 3 figures; v3: Camera ready for Euro-Par 2018, more details, more results; v2: extended experiments to include comparison with competing algorithms, shortened for submission to Euro-Par 201

Advanced Multilevel Node Separator Algorithms

A node separator of a graph is a subset S of the nodes such that removing S and its incident edges divides the graph into two disconnected components of about equal size. In this work, we introduce novel algorithms to find small node separators in large graphs. With focus on solution quality, we introduce novel flow-based local search algorithms which are integrated in a multilevel framework. In addition, we transfer techniques successfully used in the graph partitioning field. This includes the usage of edge ratings tailored to our problem to guide the graph coarsening algorithm as well as highly localized local search and iterated multilevel cycles to improve solution quality even further. Experiments indicate that flow-based local search algorithms on its own in a multilevel framework are already highly competitive in terms of separator quality. Adding additional local search algorithms further improves solution quality. Our strongest configuration almost always outperforms competing systems while on average computing 10% and 62% smaller separators than Metis and Scotch, respectively

Procurement history of the hybrid undulator for the U-5 Beam Line at the National Synchrotron Light Source

As part of a national multi-institutional Materials Research Group (MRG), Argonne National Laboratory had the responsibility, under a prime contract with the U.S. Department of Energy, of obtaining a Permanent Magnet Hybrid undulator to be used on the U5 Beam Line on the VUV Ring at the National Synchrotron Light Source (NSLS). The procurement involved determining the technical specifications of the device as well as developing an effective procedure for evaluation of the proposals. The conceptual design of the magnetic structure including all pertinent magnetic field properties was developed before the actual procurement process was initiated. In addition, complete calculations of the expected spectral properties of the undulator were performed which included the emittance properties of the VUV ring. The results from both analysis were essential in determining the expected performance of the device and the final choice of operating parameters