Construction of CASCI-type wave functions for very large active spaces.
Boguslawski, Katharina; Marti, Konrad H; Reiher, Markus
2011-06-14
We present a procedure to construct a configuration-interaction expansion containing arbitrary excitations from an underlying full-configuration-interaction-type wave function defined for a very large active space. Our procedure is based on the density-matrix renormalization group (DMRG) algorithm that provides the necessary information in terms of the eigenstates of the reduced density matrices to calculate the coefficient of any basis state in the many-particle Hilbert space. Since the dimension of the Hilbert space scales binomially with the size of the active space, a sophisticated Monte Carlo sampling routine is employed. This sampling algorithm can also construct such configuration-interaction-type wave functions from any other type of tensor network states. The configuration-interaction information obtained serves several purposes. It yields a qualitatively correct description of the molecule's electronic structure, it allows us to analyze DMRG wave functions converged for the same molecular system but with different parameter sets (e.g., different numbers of active-system (block) states), and it can be considered a balanced reference for the application of a subsequent standard multi-reference configuration-interaction method.
NASA Astrophysics Data System (ADS)
Fales, B. Scott; Shu, Yinan; Levine, Benjamin G.; Hohenstein, Edward G.
2017-09-01
A new complete active space configuration interaction (CASCI) method was recently introduced that uses state-averaged natural orbitals from the configuration interaction singles method (configuration interaction singles natural orbital CASCI, CISNO-CASCI). This method has been shown to perform as well or better than state-averaged complete active space self-consistent field for a variety of systems. However, further development and testing of this method have been limited by the lack of available analytic first derivatives of the CISNO-CASCI energy as well as the derivative coupling between electronic states. In the present work, we present a Lagrangian-based formulation of these derivatives as well as a highly efficient implementation of the resulting equations accelerated with graphical processing units. We demonstrate that the CISNO-CASCI method is practical for dynamical simulations of photochemical processes in molecular systems containing hundreds of atoms.
Fales, B Scott; Shu, Yinan; Levine, Benjamin G; Hohenstein, Edward G
2017-09-07
A new complete active space configuration interaction (CASCI) method was recently introduced that uses state-averaged natural orbitals from the configuration interaction singles method (configuration interaction singles natural orbital CASCI, CISNO-CASCI). This method has been shown to perform as well or better than state-averaged complete active space self-consistent field for a variety of systems. However, further development and testing of this method have been limited by the lack of available analytic first derivatives of the CISNO-CASCI energy as well as the derivative coupling between electronic states. In the present work, we present a Lagrangian-based formulation of these derivatives as well as a highly efficient implementation of the resulting equations accelerated with graphical processing units. We demonstrate that the CISNO-CASCI method is practical for dynamical simulations of photochemical processes in molecular systems containing hundreds of atoms.
Local random configuration-tree theory for string repetition and facilitated dynamics of glass
NASA Astrophysics Data System (ADS)
Lam, Chi-Hang
2018-02-01
We derive a microscopic theory of glassy dynamics based on the transport of voids by micro-string motions, each of which involves particles arranged in a line hopping simultaneously displacing one another. Disorder is modeled by a random energy landscape quenched in the configuration space of distinguishable particles, but transient in the physical space as expected for glassy fluids. We study the evolution of local regions with m coupled voids. At a low temperature, energetically accessible local particle configurations can be organized into a random tree with nodes and edges denoting configurations and micro-string propagations respectively. Such trees defined in the configuration space naturally describe systems defined in two- or three-dimensional physical space. A micro-string propagation initiated by a void can facilitate similar motions by other voids via perturbing the random energy landscape, realizing path interactions between voids or equivalently string interactions. We obtain explicit expressions of the particle diffusion coefficient and a particle return probability. Under our approximation, as temperature decreases, random trees of energetically accessible configurations exhibit a sequence of percolation transitions in the configuration space, with local regions containing fewer coupled voids entering the non-percolating immobile phase first. Dynamics is dominated by coupled voids of an optimal group size, which increases as temperature decreases. Comparison with a distinguishable-particle lattice model (DPLM) of glass shows very good quantitative agreements using only two adjustable parameters related to typical energy fluctuations and the interaction range of the micro-strings.
NASA Astrophysics Data System (ADS)
Tubman, Norm; Whaley, Birgitta
The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.
NASA Astrophysics Data System (ADS)
Lim, Jaechang; Choi, Sunghwan; Kim, Jaewook; Kim, Woo Youn
2016-12-01
To assess the performance of multi-configuration methods using exact exchange Kohn-Sham (KS) orbitals, we implemented configuration interaction singles and doubles (CISD) in a real-space numerical grid code. We obtained KS orbitals with the exchange-only optimized effective potential under the Krieger-Li-Iafrate (KLI) approximation. Thanks to the distinctive features of KLI orbitals against Hartree-Fock (HF), such as bound virtual orbitals with compact shapes and orbital energy gaps similar to excitation energies; KLI-CISD for small molecules shows much faster convergence as a function of simulation box size and active space (i.e., the number of virtual orbitals) than HF-CISD. The former also gives more accurate excitation energies with a few dominant configurations than the latter, even with many more configurations. The systematic control of basis set errors is straightforward in grid bases. Therefore, grid-based multi-configuration methods using exact exchange KS orbitals provide a promising new way to make accurate electronic structure calculations.
NASA Astrophysics Data System (ADS)
Garnier, Romain; Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier
2016-05-01
A new variational algorithm called adaptive vibrational configuration interaction (A-VCI) intended for the resolution of the vibrational Schrödinger equation was developed. The main advantage of this approach is to efficiently reduce the dimension of the active space generated into the configuration interaction (CI) process. Here, we assume that the Hamiltonian writes as a sum of products of operators. This adaptive algorithm was developed with the use of three correlated conditions, i.e., a suitable starting space, a criterion for convergence, and a procedure to expand the approximate space. The velocity of the algorithm was increased with the use of a posteriori error estimator (residue) to select the most relevant direction to increase the space. Two examples have been selected for benchmark. In the case of H2CO, we mainly study the performance of A-VCI algorithm: comparison with the variation-perturbation method, choice of the initial space, and residual contributions. For CH3CN, we compare the A-VCI results with a computed reference spectrum using the same potential energy surface and for an active space reduced by about 90%.
Garnier, Romain; Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier
2016-05-28
A new variational algorithm called adaptive vibrational configuration interaction (A-VCI) intended for the resolution of the vibrational Schrödinger equation was developed. The main advantage of this approach is to efficiently reduce the dimension of the active space generated into the configuration interaction (CI) process. Here, we assume that the Hamiltonian writes as a sum of products of operators. This adaptive algorithm was developed with the use of three correlated conditions, i.e., a suitable starting space, a criterion for convergence, and a procedure to expand the approximate space. The velocity of the algorithm was increased with the use of a posteriori error estimator (residue) to select the most relevant direction to increase the space. Two examples have been selected for benchmark. In the case of H2CO, we mainly study the performance of A-VCI algorithm: comparison with the variation-perturbation method, choice of the initial space, and residual contributions. For CH3CN, we compare the A-VCI results with a computed reference spectrum using the same potential energy surface and for an active space reduced by about 90%.
BPHZ renormalization in configuration space for the A4-model
NASA Astrophysics Data System (ADS)
Pottel, Steffen
2018-02-01
Recent developments for BPHZ renormalization performed in configuration space are reviewed and applied to the model of a scalar quantum field with quartic self-interaction. An extension of the results regarding the short-distance expansion and the Zimmermann identity is shown for a normal product, which is quadratic in the field operator. The realization of the equation of motion is computed for the interacting field and the relation to parametric differential equations is indicated.
Environmental control/life support system for Space Station
NASA Technical Reports Server (NTRS)
Miller, C. W.; Heppner, D. B.; Schubert, F. H.; Dahlhausen, M. J.
1986-01-01
The functional, operational, and design load requirements for the Environmental Control/Life Support System (ECLSS) are described. The ECLSS is divided into two groups: (1) an atmosphere management group and (2) a water and waste management group. The interaction between the ECLSS and the Space Station Habitability System is examined. The cruciform baseline station design, the delta and big T module configuration, and the reference Space Station configuration are evaluated in terms of ECLSS requirements. The distribution of ECLSS equipment in a reference Space Station configuration is studied as a function of initial operating conditions and growth orbit capabilities. The benefits of water electrolysis as a Space Station utility are considered.
Computer-aided controllability assessment of generic manned Space Station concepts
NASA Technical Reports Server (NTRS)
Ferebee, M. J.; Deryder, L. J.; Heck, M. L.
1984-01-01
NASA's Concept Development Group assessment methodology for the on-orbit rigid body controllability characteristics of each generic configuration proposed for the manned space station is presented; the preliminary results obtained represent the first step in the analysis of these eight configurations. Analytical computer models of each configuration were developed by means of the Interactive Design Evaluation of Advanced Spacecraft CAD system, which created three-dimensional geometry models of each configuration to establish dimensional requirements for module connectivity, payload accommodation, and Space Shuttle berthing; mass, center-of-gravity, inertia, and aerodynamic drag areas were then derived. Attention was also given to the preferred flight attitude of each station concept.
Ferdous, Farhana; Moore, Keith Diaz
2015-03-01
This article focuses on the important, facilitating role architectural design plays in social interaction within long-term care facilities (LTCFs) serving people with dementia. Here, we apply space syntax, a set of theories and techniques for the analysis of spatial configurations, as an objective measure of environmental characteristics. Almost 150 rounds of behavioral observations were collected in the social spaces of 3 LTCFs. Using the visibility and proximity metrics of space syntax, the locations of occurrence of various social activities in relation to the furniture and spatial layout on architectural floor plans have been identified. The results did not confirm the space syntax hypothesis that spaces with greater visibility and proximity promote more social interaction. Further analysis revealed that when in settings with better visibility and accessibility, the residents were more likely to engage in low levels of interaction. High-level social interactions actually were more likely to occur in settings providing greater privacy (eg, less visibility and accessibility). The findings suggest an important nuance that architectural configuration factors impact not only the likelihood but also the type of conversations likely to occur in certain locations. This would have implications for both design and staff training on how best to utilize social spaces for therapeutic effect, particularly within the context of person-centered care. © The Author(s) 2014.
Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.
Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura
2016-07-12
A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.
NASA Technical Reports Server (NTRS)
Singh, Sudeep K.; Lindenmoyer, Alan J.
1989-01-01
Results are presented from a preliminary control/structure interaction study of the Space Station, the Assembly Work Platform, and the STS orbiter dynamics coupled with the orbiter and station control systems. The first three Space Station assembly flight configurations and their finite element representations are illustrated. These configurations are compared in terms of control authority in each axis and propellant usage. The control systems design parameters during assembly are computed. Although the rigid body response was acceptable with the orbiter Primary Reaction Control System, the flexible body response showed large structural deflections and loads. It was found that severe control/structure interaction occurred if the stiffness of the Assembly Work Platform was equal to that of the station truss. Also, the response of the orbiter Vernier Reaction Control System to small changes in inertia properties is examined.
DNA condensation and size effects of DNA condensation agent
NASA Astrophysics Data System (ADS)
Liu, Yan-Hui; Jiang, Chong-Ming; Guo, Xin-Miao; Tang, Yan-Lin; Hu, Lin
2013-08-01
Based on the model of the strong correlation of counterions condensed on DNA molecule, by tailoring interaction potential, interduplex spacing and correlation spacing between condensed counterions on DNA molecule and interduplex spacing fluctuation strength, toroidal configuration, rod-like configuration and two-hole configurations are possible. The size effects of counterion structure on the toroidal structure can be detected by this model. The autocorrelation function of the tangent vectors is found as an effective way to detect the structure of toroidal conformations and the generic pathway of the process of DNA condensation. The generic pathway of all of the configurations involves an initial nucleation loop, and the next part of the DNA chain is folded on the top of the initial nucleation loop with different manners, in agreement with the recent experimental results.
Semi-stochastic full configuration interaction quantum Monte Carlo
NASA Astrophysics Data System (ADS)
Holmes, Adam; Petruzielo, Frank; Khadilkar, Mihir; Changlani, Hitesh; Nightingale, M. P.; Umrigar, C. J.
2012-02-01
In the recently proposed full configuration interaction quantum Monte Carlo (FCIQMC) [1,2], the ground state is projected out stochastically, using a population of walkers each of which represents a basis state in the Hilbert space spanned by Slater determinants. The infamous fermion sign problem manifests itself in the fact that walkers of either sign can be spawned on a given determinant. We propose an improvement on this method in the form of a hybrid stochastic/deterministic technique, which we expect will improve the efficiency of the algorithm by ameliorating the sign problem. We test the method on atoms and molecules, e.g., carbon, carbon dimer, N2 molecule, and stretched N2. [4pt] [1] Fermion Monte Carlo without fixed nodes: a Game of Life, death and annihilation in Slater Determinant space. George Booth, Alex Thom, Ali Alavi. J Chem Phys 131, 050106, (2009).[0pt] [2] Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo. Deidre Cleland, George Booth, and Ali Alavi. J Chem Phys 132, 041103 (2010).
Phases of a stack of membranes in a large number of dimensions of configuration space
NASA Astrophysics Data System (ADS)
Borelli, M. E.; Kleinert, H.
2001-05-01
The phase diagram of a stack of tensionless membranes with nonlinear curvature energy and vertical harmonic interaction is calculated exactly in a large number of dimensions of configuration space. At low temperatures, the system forms a lamellar phase with spontaneously broken translational symmetry in the vertical direction. At a critical temperature, the stack disorders vertically in a meltinglike transition. The critical temperature is determined as a function of the interlayer separation l.
Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Vogiatzis, Konstantinos D.; Ma, Dongxia; Olsen, Jeppe
A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized active space approach is used to partition large configuration interaction (CI) vectors and generate a sufficient number of batches that can be distributed to the available cores. Massively parallel CI calculations with large active spaces can be performed. The new parallel MCSCF implementation is tested for the chromium trimer and for an active space of 20 electrons in 20 orbitals, which can now routinely be performed. Unprecedented CI calculations with an active space of 22 electrons in 22 orbitals formore » the pentacene systems were performed and a single CI iteration calculation with an active space of 24 electrons in 24 orbitals for the chromium tetramer was possible. In conclusion, the chromium tetramer corresponds to a CI expansion of one trillion Slater determinants (914 058 513 424) and is the largest conventional CI calculation attempted up to date.« less
Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations
Vogiatzis, Konstantinos D.; Ma, Dongxia; Olsen, Jeppe; ...
2017-11-14
A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized active space approach is used to partition large configuration interaction (CI) vectors and generate a sufficient number of batches that can be distributed to the available cores. Massively parallel CI calculations with large active spaces can be performed. The new parallel MCSCF implementation is tested for the chromium trimer and for an active space of 20 electrons in 20 orbitals, which can now routinely be performed. Unprecedented CI calculations with an active space of 22 electrons in 22 orbitals formore » the pentacene systems were performed and a single CI iteration calculation with an active space of 24 electrons in 24 orbitals for the chromium tetramer was possible. In conclusion, the chromium tetramer corresponds to a CI expansion of one trillion Slater determinants (914 058 513 424) and is the largest conventional CI calculation attempted up to date.« less
Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations
NASA Astrophysics Data System (ADS)
Vogiatzis, Konstantinos D.; Ma, Dongxia; Olsen, Jeppe; Gagliardi, Laura; de Jong, Wibe A.
2017-11-01
A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized active space approach is used to partition large configuration interaction (CI) vectors and generate a sufficient number of batches that can be distributed to the available cores. Massively parallel CI calculations with large active spaces can be performed. The new parallel MCSCF implementation is tested for the chromium trimer and for an active space of 20 electrons in 20 orbitals, which can now routinely be performed. Unprecedented CI calculations with an active space of 22 electrons in 22 orbitals for the pentacene systems were performed and a single CI iteration calculation with an active space of 24 electrons in 24 orbitals for the chromium tetramer was possible. The chromium tetramer corresponds to a CI expansion of one trillion Slater determinants (914 058 513 424) and is the largest conventional CI calculation attempted up to date.
NASA Technical Reports Server (NTRS)
Kennedy, J. R.; Fitzpatrick, W. S.
1971-01-01
The computer executive functional system design concepts derived from study of the Space Station/Base are presented. Information Management System hardware configuration as directly influencing the executive design is reviewed. The hardware configuration and generic executive design requirements are considered in detail in a previous report (System Configuration and Executive Requirements Specifications for Reusable Shuttle and Space Station/Base, 9/25/70). This report defines basic system primitives and delineates processes and process control. Supervisor states are considered for describing basic multiprogramming and multiprocessing systems. A high-level computer executive including control of scheduling, allocation of resources, system interactions, and real-time supervisory functions is defined. The description is oriented to provide a baseline for a functional simulation of the computer executive system.
The Influence of Hierarchy and Layout Geometry in the Design of Learning Spaces
ERIC Educational Resources Information Center
Smith, Charlie
2017-01-01
For a number of years, higher education has moved away from didactic teaching toward collaborative and self-directed learning. This paper discusses how the configuration and spatial geometry of learning spaces influences engagement and interaction, with a particular focus on hierarchies between people within the space. Layouts, presented as…
NASA Astrophysics Data System (ADS)
Petersson, George A.; Malick, David K.; Frisch, Michael J.; Braunstein, Matthew
2006-07-01
Examination of the convergence of full valence complete active space self-consistent-field configuration interaction including all single and double excitation (CASSCF-CISD) energies with expansion of the one-electron basis set reveals a pattern very similar to the convergence of single determinant energies. Calculations on the lowest four singlet states and the lowest four triplet states of N2 with the sequence of n-tuple-ζ augmented polarized (nZaP) basis sets (n =2, 3, 4, 5, and 6) are used to establish the complete basis set limits. Full configuration-interaction (CI) and core electron contributions must be included for very accurate potential energy surfaces. However, a simple extrapolation scheme that has no adjustable parameters and requires nothing more demanding than CAS(10e -,8orb)-CISD/3ZaP calculations gives the Re, ωe, ωeXe, Te, and De for these eight states with rms errors of 0.0006Å, 4.43cm-1, 0.35cm-1, 0.063eV, and 0.018eV, respectively.
NASA Technical Reports Server (NTRS)
Stevens, N. J.
1974-01-01
The Space Plasma, High Voltage Interaction Experiment (SPHINX) is the name given to an auxiliary payload satellite scheduled to be launched in January 1974. The principal experiments carried on this satellite are specifically designed to obtain the engineering data on the interaction of high voltage systems with the space plasma. The classes of experiments are solar array segments, insulators, insulators with pin holes and conductors. The satellite is also carrying experiments to obtain flight data on three new solar array configurations: the edge illuminated-multijunction cells, the teflon encased cells, and the violet cells.
The study of molecular spectroscopy by ab initio methods
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.
1991-01-01
This review illustrates the potential of theory for solving spectroscopic problems. The accuracy of approximate techniques for including electron correlation have been calibrated by comparison with full configuration-interaction calculations. Examples of the application of ab initio calculations to vibrational, rotational, and electronic spectroscopy are given. It is shown that the state-averaged, complete active space self-consistent field, multireference configuration-interaction procedure provides a good approach for treating several electronic states accurately in a common molecular orbital basis.
NASA Astrophysics Data System (ADS)
Maghsoodi, Elham; Kamani, Davoud
2017-05-01
We shall obtain the interaction of the Dp1- and Dp2-branes in the toroidal-orbifold space-time Tn × ℝ1,d-n-5 × ℂ2/ℤ 2. The configuration of the branes is nonintersecting, perpendicular, moving-rotating, wrapped-fractional with background fields. For this, we calculate the bosonic boundary state corresponding to a dynamical fractional-wrapped Dp-brane in the presence of the Kalb-Ramond field, a U1 gauge potential and an open string tachyon field. The long-range behavior of the interaction amplitude will be extracted.
Configuration interaction calculations for the region of 76Ge
NASA Astrophysics Data System (ADS)
Brown, Alex
2017-09-01
I will present a short history of the configuration interaction Hamiltonians that have been developed for the (0f5 / 2 , 1p3 / 2 , 1p1 / 2 , 0g9 / 2) (jj 44) model space. This model space is appropriate for the region of nuclei bounded by the nickel isotopes for Z = 28 and the isotones with N = 50 . I will discuss results for the double-beta decay of 76Ge that lies in the jj 44 region. I will show results for the structure of nuclei around 76Ge for some selected data from gamma decay, Gamow-Teller beta decay, charge-exchange reactions, one-nucleon transfer reactions, and two-nucleon transfer reactions. This work was supported by NSF Grant PHY-1404442.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hollas, Daniel; Sistik, Lukas; Hohenstein, Edward G.
Here, we show that the floating occupation molecular orbital complete active space configuration interaction (FOMO-CASCI) method is a promising alternative to the widely used complete active space self-consistent field (CASSCF) method in direct nonadiabatic dynamics simulations. We have simulated photodynamics of three archetypal molecules in photodynamics: ethylene, methaniminium cation, and malonaldehyde. We compared the time evolution of electronic populations and reaction mechanisms as revealed by the FOMO-CASCI and CASSCF approaches. Generally, the two approaches provide similar results. Some dynamical differences are observed, but these can be traced back to energetically minor differences in the potential energy surfaces. We suggest thatmore » the FOMO-CASCI method represents, due to its efficiency and stability, a promising approach for direct ab initio dynamics in the excited state.« less
High order discretization techniques for real-space ab initio simulations
NASA Astrophysics Data System (ADS)
Anderson, Christopher R.
2018-03-01
In this paper, we present discretization techniques to address numerical problems that arise when constructing ab initio approximations that use real-space computational grids. We present techniques to accommodate the singular nature of idealized nuclear and idealized electronic potentials, and we demonstrate the utility of using high order accurate grid based approximations to Poisson's equation in unbounded domains. To demonstrate the accuracy of these techniques, we present results for a Full Configuration Interaction computation of the dissociation of H2 using a computed, configuration dependent, orbital basis set.
Li Manni, Giovanni; Smart, Simon D; Alavi, Ali
2016-03-08
A novel stochastic Complete Active Space Self-Consistent Field (CASSCF) method has been developed and implemented in the Molcas software package. A two-step procedure is used, in which the CAS configuration interaction secular equations are solved stochastically with the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) approach, while orbital rotations are performed using an approximated form of the Super-CI method. This new method does not suffer from the strong combinatorial limitations of standard MCSCF implementations using direct schemes and can handle active spaces well in excess of those accessible to traditional CASSCF approaches. The density matrix formulation of the Super-CI method makes this step independent of the size of the CI expansion, depending exclusively on one- and two-body density matrices with indices restricted to the relatively small number of active orbitals. No sigma vectors need to be stored in memory for the FCIQMC eigensolver--a substantial gain in comparison to implementations using the Davidson method, which require three or more vectors of the size of the CI expansion. Further, no orbital Hessian is computed, circumventing limitations on basis set expansions. Like the parent FCIQMC method, the present technique is scalable on massively parallel architectures. We present in this report the method and its application to the free-base porphyrin, Mg(II) porphyrin, and Fe(II) porphyrin. In the present study, active spaces up to 32 electrons and 29 orbitals in orbital expansions containing up to 916 contracted functions are treated with modest computational resources. Results are quite promising even without accounting for the correlation outside the active space. The systems here presented clearly demonstrate that large CASSCF calculations are possible via FCIQMC-CASSCF without limitations on basis set size.
NASA Technical Reports Server (NTRS)
Thornton, D. E.
1975-01-01
Tests were conducted in the NASA Langley Research Center 31-inch Continuous Flow Hypersonic Wind Tunnel to determine RCS jet interaction effects on hypersonic aerodynamic characteristics and to investigate RT (gas constant times temperature) scaling effects on the RCS similitude. The model was an 0.010-scale replica of the Space Shuttle Orbiter Configuration 3. Hypersonic aerodynamic data were obtained from tests at Mach 10.3 and dynamic pressures of 200, 150, 125, and 100 psf. The RCS modes of pitch, yaw, and roll at free flight dynamic pressure simulation of 20 psf were investigated.
NASA Astrophysics Data System (ADS)
Shahzad, Munir; Sengupta, Pinaki
2017-08-01
We study the Shastry-Sutherland Kondo lattice model with additional Dzyaloshinskii-Moriya (DM) interactions, exploring the possible magnetic phases in its multi-dimensional parameter space. Treating the local moments as classical spins and using a variational ansatz, we identify the parameter ranges over which various common magnetic orderings are potentially stabilized. Our results reveal that the competing interactions result in a heightened susceptibility towards a wide range of spin configurations including longitudinal ferromagnetic and antiferromagnetic order, coplanar flux configurations and most interestingly, multiple non-coplanar configurations including a novel canted-flux state as the different Hamiltonian parameters like electron density, interaction strengths and degree of frustration are varied. The non-coplanar and non-collinear magnetic ordering of localized spins behave like emergent electromagnetic fields and drive unusual transport and electronic phenomena.
NASA Technical Reports Server (NTRS)
Kanipe, D. B.
1976-01-01
A wind tunnel test was conducted in the Langley Research Center 31-inch Continuous Flow Hypersonic Wind Tunnel from May 6, 1975 through June 3, 1975. The primary objectives of this test were the following: (1) to study the ability of the wind tunnel to repeat, on a run-to-run basis, data taken for identical configurations to determine if errors in repeatability could have a significant effect on jet interaction data, (2) to determine the effect of aerodynamic heating of the scale model on jet interaction, (3) to investigate the effects of elevon and body flap deflections on jet interaction, (4) to determine if the effects from jets fired separately along different axes can be added to equal the effects of the jets fired simultaneously (super position effects), (5) to study multiple jet effects, and (6) to investigate area ratio effects, i.e., the effect on jet interaction measurements of using wind tunnel nozzles with different area ratios in the same location. The model used in the test was a .010-scale model of the Space Shuttle Orbiter Configuration 3. The test was conducted at Mach 10.3 and a dynamic pressure of 150 psf. RCS chamber pressure was varied to simulate free flight dynamic pressures of 5, 7.5, 10, and 20 psf.
NASA Astrophysics Data System (ADS)
Konieczka, M.; Kortelainen, M.; Satuła, W.
2018-03-01
Background: The atomic nucleus is a unique laboratory in which to study fundamental aspects of the electroweak interaction. This includes a question concerning in medium renormalization of the axial-vector current, which still lacks satisfactory explanation. Study of spin-isospin or Gamow-Teller (GT) response may provide valuable information on both the quenching of the axial-vector coupling constant as well as on nuclear structure and nuclear astrophysics. Purpose: We have performed a seminal calculation of the GT response by using the no-core configuration-interaction approach rooted in multireference density functional theory (DFT-NCCI). The model treats properly isospin and rotational symmetries and can be applied to calculate both the nuclear spectra and transition rates in atomic nuclei, irrespectively of their mass and particle-number parity. Methods: The DFT-NCCI calculation proceeds as follows: First, one builds a configuration space by computing relevant, for a given physical problem, (multi)particle-(multi)hole Slater determinants. Next, one applies the isospin and angular-momentum projections and performs the isospin and K mixing in order to construct a model space composed of linearly dependent states of good angular momentum. Eventually, one mixes the projected states by solving the Hill-Wheeler-Griffin equation. Results: The method is applied to compute the GT strength distribution in selected N ≈Z nuclei including the p -shell 8Li and 8Be nuclei and the s d -shell well-deformed nucleus 24Mg. In order to demonstrate a flexibility of the approach we present also a calculation of the superallowed GT β decay in doubly-magic spherical 100Sn and the low-spin spectrum in 100In. Conclusions: It is demonstrated that the DFT-NCCI model is capable of capturing the GT response satisfactorily well by using a relatively small configuration space, exhausting simultaneously the GT sum rule. The model, due to its flexibility and broad range of applicability, may either serve as a complement or even as an alternative to other theoretical approaches, including the conventional nuclear shell model.
Vosmeer, C Ruben; Kooi, Derk P; Capoferri, Luigi; Terpstra, Margreet M; Vermeulen, Nico P E; Geerke, Daan P
2016-01-01
Recently an iterative method was proposed to enhance the accuracy and efficiency of ligand-protein binding affinity prediction through linear interaction energy (LIE) theory. For ligand binding to flexible Cytochrome P450s (CYPs), this method was shown to decrease the root-mean-square error and standard deviation of error prediction by combining interaction energies of simulations starting from different conformations. Thereby, different parts of protein-ligand conformational space are sampled in parallel simulations. The iterative LIE framework relies on the assumption that separate simulations explore different local parts of phase space, and do not show transitions to other parts of configurational space that are already covered in parallel simulations. In this work, a method is proposed to (automatically) detect such transitions during the simulations that are performed to construct LIE models and to predict binding affinities. Using noise-canceling techniques and splines to fit time series of the raw data for the interaction energies, transitions during simulation between different parts of phase space are identified. Boolean selection criteria are then applied to determine which parts of the interaction energy trajectories are to be used as input for the LIE calculations. Here we show that this filtering approach benefits the predictive quality of our previous CYP 2D6-aryloxypropanolamine LIE model. In addition, an analysis is performed of the gain in computational efficiency that can be obtained from monitoring simulations using the proposed filtering method and by prematurely terminating simulations accordingly.
Effect of complex configurations on the description of properties of {sup 132}Sn beta decay
DOE Office of Scientific and Technical Information (OSTI.GOV)
Severyukhin, A. P., E-mail: sever@theor.jinr.ru; Sushenok, E. O.
2015-07-15
Gamow–Teller transitions in the beta decay of the {sup 132}Sn neutron-rich nucleus was described microscopically. The coupling of one- and two-phonon components of the wave functions was taken into account on the basis of Skyrme interactions featuring various contributions of the tensor component. A separable approximation of the particle—hole interaction made it possible tohole interaction perform calculations in a large configuration space. It was shown that an increase in the strength of the neutron—proton tensor interaction led to an increase in the energy of Gamow—Teller transitions. In addition, a decrease in the {sup 132}Sn half-life with respect to beta decaymore » was obtained.« less
Structural dynamic interaction with solar tracking control for evolutionary Space Station concepts
NASA Technical Reports Server (NTRS)
Lim, Tae W.; Cooper, Paul A.; Ayers, J. Kirk
1992-01-01
The sun tracking control system design of the Solar Alpha Rotary Joint (SARJ) and the interaction of the control system with the flexible structure of Space Station Freedom (SSF) evolutionary concepts are addressed. The significant components of the space station pertaining to the SARJ control are described and the tracking control system design is presented. Finite element models representing two evolutionary concepts, enhanced operations capability (EOC) and extended operations capability (XOC), are employed to evaluate the influence of low frequency flexible structure on the control system design and performance. The design variables of the control system are synthesized using a constrained optimization technique to meet design requirements, to provide a given level of control system stability margin, and to achieve the most responsive tracking performance. The resulting SARJ control system design and performance of the EOC and XOC configurations are presented and compared to those of the SSF configuration. Performance limitations caused by the low frequency of the dominant flexible mode are discussed.
Vicinal fluorine-fluorine coupling constants: Fourier analysis.
San Fabián, J; Westra Hoekzema, A J A
2004-10-01
Stereochemical dependences of vicinal fluorine-fluorine nuclear magnetic resonance coupling constants (3JFF) have been studied with the multiconfigurational self-consistent field in the restricted active space approach, with the second-order polarization propagator approximation (SOPPA), and with density functional theory. The SOPPA results show the best overall agreement with experimental couplings. The relationship with the dihedral angle between the coupled fluorines has been studied by Fourier analysis, the result is very different from that of proton-proton couplings. The Fourier coefficients do not resemble those of a typical Karplus equation. The four nonrelativistic contributions to the coupling constants of 1,2-difluoroethane configurations have been studied separately showing that up to six Fourier coefficients are required to reproduce the calculated values satisfactorily. Comparison with Fourier coefficients for matching hydrogen fluoride dimer configurations suggests that the higher order Fourier coefficients (Cn> or =3) originate mainly from through-space Fermi contact interaction. The through-space interaction is the main reason 3JFF do not follow the Karplus equation. (c) 2004 American Institute of Physics
Vicinal fluorine-fluorine coupling constants: Fourier analysis
NASA Astrophysics Data System (ADS)
San Fabián, J.; Westra Hoekzema, A. J. A.
2004-10-01
Stereochemical dependences of vicinal fluorine-fluorine nuclear magnetic resonance coupling constants (3JFF) have been studied with the multiconfigurational self-consistent field in the restricted active space approach, with the second-order polarization propagator approximation (SOPPA), and with density functional theory. The SOPPA results show the best overall agreement with experimental couplings. The relationship with the dihedral angle between the coupled fluorines has been studied by Fourier analysis, the result is very different from that of proton-proton couplings. The Fourier coefficients do not resemble those of a typical Karplus equation. The four nonrelativistic contributions to the coupling constants of 1,2-difluoroethane configurations have been studied separately showing that up to six Fourier coefficients are required to reproduce the calculated values satisfactorily. Comparison with Fourier coefficients for matching hydrogen fluoride dimer configurations suggests that the higher order Fourier coefficients (Cn⩾3) originate mainly from through-space Fermi contact interaction. The through-space interaction is the main reason 3JFF do not follow the Karplus equation.
Band engineering in twisted molybdenum disulfide bilayers
NASA Astrophysics Data System (ADS)
Zhao, Yipeng; Liao, Chengwei; Ouyang, Gang
2018-05-01
In order to explore the theoretical relationship between interlayer spacing, interaction and band offset at the atomic level in vertically stacked two-dimensional (2D) van der Waals (vdW) structures, we propose an analytical model to address the evolution of interlayer vdW coupling with random stacking configurations in MoS2 bilayers based on the atomic-bond-relaxation correlation mechanism. We found that interlayer spacing changes substantially with respect to the orientations, and the bandgap increases from 1.53 eV (AB stacking) to 1.68 eV (AA stacking). Our results reveal that the evolution of interlayer vdW coupling originates from the interlayer interaction, leading to interlayer separations and electronic properties changing with stacking configurations. Our predictions constitute a demonstration of twist engineering the band shift in the emergent class of 2D crystals, transition-metal dichalcogenides.
Tomicic, Alemka; Martínez, Claudio; Pérez, J Carola; Hollenstein, Tom; Angulo, Salvador; Gerstmann, Adam; Barroux, Isabelle; Krause, Mariane
2015-01-01
This study seeks to provide evidence of the dynamics associated with the configurations of discourse-voice regulatory strategies in patient-therapist interactions in relevant episodes within psychotherapeutic sessions. Its central assumption is that discourses manifest themselves differently in terms of their prosodic characteristics according to their regulatory functions in a system of interactions. The association between discourse and vocal quality in patients and therapists was analyzed in a sample of 153 relevant episodes taken from 164 sessions of five psychotherapies using the state space grid (SSG) method, a graphical tool based on the dynamic systems theory (DST). The results showed eight recurrent and stable discourse-voice regulatory strategies of the patients and three of the therapists. Also, four specific groups of these discourse-voice strategies were identified. The latter were interpreted as regulatory configurations, that is to say, as emergent self-organized groups of discourse-voice regulatory strategies constituting specific interactional systems. Both regulatory strategies and their configurations differed between two types of relevant episodes: Change Episodes and Rupture Episodes. As a whole, these results support the assumption that speaking and listening, as dimensions of the interaction that takes place during therapeutic conversation, occur at different levels. The study not only shows that these dimensions are dependent on each other, but also that they function as a complex and dynamic whole in therapeutic dialog, generating relational offers which allow the patient and the therapist to regulate each other and shape the psychotherapeutic process that characterizes each type of relevant episode.
NASA Technical Reports Server (NTRS)
1973-01-01
Configuration comparisons and systems evaluation for the orbital radar mapping mission of the planet Venus are discussed. Designs are recommended which best satisfy the science objectives of the Venus radar mapping concept. Attention is given to the interaction and integration of those specific mission-systems recommendations with one another, and the final proposed designs are presented. The feasibility, cost, and scheduling of these configurations are evaluated against assumptions of reasonable state-of-the-art growth and space funding expectations.
Shuttle to space station transfer of the materials exposure facility
NASA Technical Reports Server (NTRS)
Shannon, David T., Jr.; Klich, Phillip J.
1995-01-01
The Materials Exposure Facility (MEF) is being proposed by LaRC as the first long-term space materials exposure facility with real-time interaction with materials experiments in actual conditions of orbital space flight. The MEF is proposed as a Space Station external payload dedicated to technology advancement in spacecraft materials and coatings research. This paper will define a set of potential logistics for removing the MEF from the Shuttle cargo bay and the process required for transferring the MEF to a specific external payload site on Space Station Freedom (SSF). The SSF UF-2 configuration is used for this study. The kinematics and ability to successfully perform the appropriate MEF maneuvers required were verified. During completion of this work, the Space Station was redesigned and the International Space Station Alpha (ISSA) configuration evolved. The transfer procedure for SSF was valid for ISSA; however, a verification of kinematics and clearances was essential. Also, SSF and ISSA robotic interfaces with the Orbiter were different.
Crystal growth of GaAs in space
NASA Technical Reports Server (NTRS)
Gatos, H. C.; Lagowski, J.; Pawlowicz, L. M.; Dabkowski, F.; Li, C. J.
1984-01-01
It is shown that stoichiometry variations in the GaAs melt during growth constitute the most critical parameter regarding defect formations and their interactions; this defect structure determines all relevant characteristics of GaAs. Convection in the melt leads to stoichiometric variations. Growth in axial magnetic fields reduces convection and permits the study of defect structure. In order to control stoichiometry in space and to accommodate expansion during solidification, a partially confined configuration was developed. A triangular prism is employed to contain the growth melt. This configuration permits the presence of the desired vapor phase in contact with the melt for controlling the melt stoichiometry.
NASA Technical Reports Server (NTRS)
Thornton, D. E.
1974-01-01
Tests were conducted in the NASA Langley Research Center 31-inch continuous Flow Hypersonic Wind Tunnel to determine RCS jet interaction effect on the hypersonic aerodynamic and stability and control characteristics prior to return to launch site (RTLS) abort separation. The model used was an 0.010-scale replica of the Space Shuttle Vehicle Configuration 3. Hypersonic stability data were obtained from tests at Mach 10.3 and dynamic pressure of 150 psf for the integrated Orbiter and external tank and the Orbiter alone. RCS modes of pitch, yaw, and roll at free flight dynamic pressure simulation of 7, 20, and 50 psf were investigated. The effects of speedbrake, bodyflap, elevon, and aileron deflections were also investigated.
NASA Technical Reports Server (NTRS)
Thornton, D. E.
1974-01-01
Tests were conducted in the 31-inch continuous Flow Hypersonic Wind Tunnel to determine RCS jet interaction effect on the hypersonic aerodynamic and stability and control characteristics prior to RTLS abort separation. The model used was an 0.010-scale replica of the Space Shuttle Vehicle Configuration 3. Hypersonic stability data were obtained from tests at Mach 10.3 and dynamic pressure of 150 psf for the integrated Orbiter and external tank and the Orbiter alone. RCS modes of pitch, yaw, and roll at free flight dynamic pressure simulation of 7, 20, and 50 psf were investigated. The effects of speedbrake, bodyflap, elevon, and airleron deflections were also investigated.
NASA Technical Reports Server (NTRS)
Thornton, D. E.
1974-01-01
Tests were conducted in the NASA Langley Research Center 31-inch continuous flow hypersonic wind tunnel from 14 February to 22 February 1974, to determine RCS jet interaction effect on the hypersonic aerodynamic and stability and control characteristics prior to RTLS abort separation. The model used was an 0.010-scale replica of the space shuttle vehicle configuration 3. Hypersonic stability data were obtained from tests at Mach 10.3 and dynamic pressure of 150 psf for the intergrated orbiter and external tank and the orbiter alone. RCS modes of pitch, yaw, and roll at free flight dynamic pressure simulation of 7, 20, and 50 psf were investigated. The effects of speedbrake, bodyflap, elevon, and aileron deflections were also investigated.
Applications of Tethers in Space
NASA Technical Reports Server (NTRS)
Cron, A. C.
1985-01-01
The proceedings of the first workshop on applications of tethers in space are summarized. The workshop gathered personalities from industry, academic institutions and government to discuss the relatively new area of applied technology of very long tethers in space to a broad spectrum of future space missions. A large number of tethered concepts and configurations was presented covering electrodynamic interaction tethers, tethered transportation through angular momentum exchange, tethered constellations, low gravity utilization, applicable technology, and tethered test facilities. Specific recommendations were made to NASA in each area.
Unconventional Density Wave and Superfluidity in Cold Atom Systems
2014-06-01
species can provide more phase space to renormalize minority pairing channel (i.e, q can be anywhere on that FS branch...and intra-species interactions, Ucf/Uff . . . . . . . 43 5.2 (Left) dxy order parameter for f - and c-fermions. (Right) Real- space particle density of...interlayer tunneling tz = 0.1t. Sketched real space configuration for (d) CDWp and (e) CDW± with a π- phase resonance, where the dashed red lines indicate
Configuration maintaining control of three-body ring tethered system based on thrust compensation
NASA Astrophysics Data System (ADS)
Huang, Panfeng; Liu, Binbin; Zhang, Fan
2016-06-01
Space multi-tethered systems have shown broad prospects in remote observation missions. This paper mainly focuses on the dynamics and configuration maintaining control of space spinning three-body ring tethered system for such mission. Firstly, we establish the spinning dynamic model of the three-body ring tethered system considering the elasticity of the tether using Newton-Euler method, and then validate the suitability of this model by numerical simulation. Subsequently, LP (Likins-Pringle) initial equilibrium conditions for the tethered system are derived based on rigid body's equilibrium theory. Simulation results show that tether slack, snapping and interaction between the tethers exist in the three-body ring system, and its' configuration can not be maintained without control. Finally, a control strategy based on thrust compensation, namely thrust to simulate tether compression under LP initial equilibrium conditions is designed to solve the configuration maintaining control problem. Control effects are verified by numerical simulation compared with uncontrolled situation. Simulation results show that the configuration of the three-body ring tethered system could maintain under this active control strategy.
Solar array experiments on the Sphinx satellite
NASA Technical Reports Server (NTRS)
Stevens, N. J.
1973-01-01
The Space Plasma, High Voltage Interaction Experiment (SPHINX) is the name given to an auxiliary payload satellite scheduled to be launched in January 1974. The principal experiments carried on this satellite are specifically designed to obtain the engineering data on the interaction of high voltage systems with the space plasma. The classes of experiments are solar array segments, insulators, insulators with pin holes and conductors. The satellite is also carrying experiments to obtain flight data on three new solar array configurations; the edge illuminated-multijunction cells, the Teflon encased cells and the violet cells.
Tomicic, Alemka; Martínez, Claudio; Pérez, J. Carola; Hollenstein, Tom; Angulo, Salvador; Gerstmann, Adam; Barroux, Isabelle; Krause, Mariane
2015-01-01
This study seeks to provide evidence of the dynamics associated with the configurations of discourse-voice regulatory strategies in patient–therapist interactions in relevant episodes within psychotherapeutic sessions. Its central assumption is that discourses manifest themselves differently in terms of their prosodic characteristics according to their regulatory functions in a system of interactions. The association between discourse and vocal quality in patients and therapists was analyzed in a sample of 153 relevant episodes taken from 164 sessions of five psychotherapies using the state space grid (SSG) method, a graphical tool based on the dynamic systems theory (DST). The results showed eight recurrent and stable discourse-voice regulatory strategies of the patients and three of the therapists. Also, four specific groups of these discourse-voice strategies were identified. The latter were interpreted as regulatory configurations, that is to say, as emergent self-organized groups of discourse-voice regulatory strategies constituting specific interactional systems. Both regulatory strategies and their configurations differed between two types of relevant episodes: Change Episodes and Rupture Episodes. As a whole, these results support the assumption that speaking and listening, as dimensions of the interaction that takes place during therapeutic conversation, occur at different levels. The study not only shows that these dimensions are dependent on each other, but also that they function as a complex and dynamic whole in therapeutic dialog, generating relational offers which allow the patient and the therapist to regulate each other and shape the psychotherapeutic process that characterizes each type of relevant episode. PMID:25932014
Intelligent user interface concept for space station
NASA Technical Reports Server (NTRS)
Comer, Edward; Donaldson, Cameron; Bailey, Elizabeth; Gilroy, Kathleen
1986-01-01
The space station computing system must interface with a wide variety of users, from highly skilled operations personnel to payload specialists from all over the world. The interface must accommodate a wide variety of operations from the space platform, ground control centers and from remote sites. As a result, there is a need for a robust, highly configurable and portable user interface that can accommodate the various space station missions. The concept of an intelligent user interface executive, written in Ada, that would support a number of advanced human interaction techniques, such as windowing, icons, color graphics, animation, and natural language processing is presented. The user interface would provide intelligent interaction by understanding the various user roles, the operations and mission, the current state of the environment and the current working context of the users. In addition, the intelligent user interface executive must be supported by a set of tools that would allow the executive to be easily configured and to allow rapid prototyping of proposed user dialogs. This capability would allow human engineering specialists acting in the role of dialog authors to define and validate various user scenarios. The set of tools required to support development of this intelligent human interface capability is discussed and the prototyping and validation efforts required for development of the Space Station's user interface are outlined.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Shu, Yinan; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu; Hohenstein, Edward G.
2015-01-14
Multireference quantum chemical methods, such as the complete active space self-consistent field (CASSCF) method, have long been the state of the art for computing regions of potential energy surfaces (PESs) where complex, multiconfigurational wavefunctions are required, such as near conical intersections. Herein, we present a computationally efficient alternative to the widely used CASSCF method based on a complete active space configuration interaction (CASCI) expansion built from the state-averaged natural orbitals of configuration interaction singles calculations (CISNOs). This CISNO-CASCI approach is shown to predict vertical excitation energies of molecules with closed-shell ground states similar to those predicted by state averaged (SA)-CASSCFmore » in many cases and to provide an excellent reference for a perturbative treatment of dynamic electron correlation. Absolute energies computed at the CISNO-CASCI level are found to be variationally superior, on average, to other CASCI methods. Unlike SA-CASSCF, CISNO-CASCI provides vertical excitation energies which are both size intensive and size consistent, thus suggesting that CISNO-CASCI would be preferable to SA-CASSCF for the study of systems with multiple excitable centers. The fact that SA-CASSCF and some other CASCI methods do not provide a size intensive/consistent description of excited states is attributed to changes in the orbitals that occur upon introduction of non-interacting subsystems. Finally, CISNO-CASCI is found to provide a suitable description of the PES surrounding a biradicaloid conical intersection in ethylene.« less
Fluid management in the optimization of space construction
NASA Technical Reports Server (NTRS)
Snyder, Howard
1990-01-01
Fluid management impacts strongly on the optimization of space construction. Large quantities of liquids are needed for propellants and life support. The mass of propellant liquids is comparable to that required for the structures. There may be a strong dynamic interaction between the stored liquids and the space structure unless the design minimizes the interaction. The constraints of cost and time required optimization of the supply/resupply strategy. The proper selection and design of the fluid management methods for: slosh control; stratification control; acquisition; transfer; gauging; venting; dumping; contamination control; selection of tank configuration and size; the storage state and the control system can improve the entire system performance substantially. Our effort consists of building mathematical/computer models of the various fluid management methods and testing them against the available experimental data. The results of the models are used as inputs to the system operations studies. During the past year, the emphasis has been on modeling: the transfer of cryogens; sloshing and the storage configuration. The work has been intermeshed with ongoing NASA design and development studies to leverage the funds provided by the Center.
The configuration of residential area in urban structure of the palace in Siak Sri Indrapura - Riau
NASA Astrophysics Data System (ADS)
Rijal, Muhammad
2018-05-01
This article is part of major research in describing the configuration of waterfront residential area in urban space structure of the palace and related to the Malay Kingdom in the waterside of the Strait of Malacca. This research aimed to identify the configuration of riverfront residential area in Siak Sri Indrapura City based on physical and non-physical aspects. The method used in this research was qualitative rationalistic referring to the components of urban design theory. The results of the research showed that the spatial configuration in Siak Sri Indrapura City is linear and related to the past events and socio-cultural and socio-economic interaction of the society.
The Use of Human Factors Simulation to Conserve Operations Expense
NASA Technical Reports Server (NTRS)
Hamilton, George S.; Dischinger, H. Charles, Jr.; Wu, Hsin-I.
1999-01-01
In preparation for on-orbit operations, NASA performs experiments aboard a KC-135 which performs parabolic maneuvers, resulting in short periods of microgravity. While considerably less expensive than space operations, the use of this aircraft is costly. Simulation of tasks to be performed during the flight can allow the participants to optimize hardware configuration and crew interaction prior to flight. This presentation will demonstrate the utility of such simulation. The experiment simulated is the fluid dynamics of epoxy components which may be used in a patch kit in the event of meteoroid damage to the International Space Station. Improved configuration and operational efficiencies were reflected in early and increased data collection.
Systematic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Benchmark Study.
Vogiatzis, Konstantinos D; Li Manni, Giovanni; Stoneburner, Samuel J; Ma, Dongxia; Gagliardi, Laura
2015-07-14
The applicability and accuracy of the generalized active space self-consistent field, (GASSCF), and (SplitGAS) methods are presented. The GASSCF method enables the exploration of larger active spaces than with the conventional complete active space SCF, (CASSCF), by fragmentation of a large space into subspaces and by controlling the interspace excitations. In the SplitGAS method, the GAS configuration interaction, CI, expansion is further partitioned in two parts: the principal, which includes the most important configuration state functions, and an extended, containing less relevant but not negligible ones. An effective Hamiltonian is then generated, with the extended part acting as a perturbation to the principal space. Excitation energies of ozone, furan, pyrrole, nickel dioxide, and copper tetrachloride dianion are reported. Various partitioning schemes of the GASSCF and SplitGAS CI expansions are considered and compared with the complete active space followed by second-order perturbation theory, (CASPT2), and multireference CI method, (MRCI), or available experimental data. General guidelines for the optimum applicability of these methods are discussed together with their current limitations.
Solution to the sign problem in a frustrated quantum impurity model
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hann, Connor T., E-mail: connor.hann@yale.edu; Huffman, Emilie; Chandrasekharan, Shailesh
2017-01-15
In this work we solve the sign problem of a frustrated quantum impurity model consisting of three quantum spin-half chains interacting through an anti-ferromagnetic Heisenberg interaction at one end. We first map the model into a repulsive Hubbard model of spin-half fermions hopping on three independent one dimensional chains that interact through a triangular hopping at one end. We then convert the fermion model into an inhomogeneous one dimensional model and express the partition function as a weighted sum over fermion worldline configurations. By imposing a pairing of fermion worldlines in half the space we show that all negative weightmore » configurations can be eliminated. This pairing naturally leads to the original frustrated quantum spin model at half filling and thus solves its sign problem.« less
Control of shock-wave boundary layer interaction using steady micro-jets
NASA Astrophysics Data System (ADS)
Verma, S. B.; Manisankar, C.; Akshara, P.
2015-09-01
An experimental investigation was conducted to control the amplitude of shock unsteadiness associated with the interaction induced by a cylindrical protuberance on a flat plate in a Mach 2.18 flow. The control was applied in the form of an array of steady micro air-jets of different configurations with variation in pitch and skew angle of the jets. The effect of air-jet supply pressure on control was also studied. Each of the micro-jet configurations was placed 20 boundary layer thicknesses upstream of the leading edge of the cylinder. The overall interaction is seen to get modified for all control configurations and shows a reduction in both separation- and bow-shock strengths and in triple-point height. A significant reduction in the peak rms value is also observed in the intermittent region of separation for each case. For pitched jets placed in a zig-zag configuration, good control effectiveness is achieved at control pressures similar to the stagnation pressure of the freestream. At higher control pressures, however, their obstruction component increases and if these jets are not spaced sufficiently far apart, the effectiveness of their control begins to drop due to the beginning of spanwise jet-to-jet interaction. On the other hand, pitching or skewing the jets to reduces the obstruction component considerably which at lower control pressures shows lower effectiveness. But at higher control pressure, the effectiveness of these configurations continues to increase unlike the pitched jets.
Warwicker, J
1989-03-20
A method of calculating the electrostatic potential energy between two molecules, using finite difference potential, is presented. A reduced charge set is used so that the interaction energy can be calculated as the two static molecules explore their full six-dimensional configurational space. The energies are contoured over surfaces fixed to each molecule with an interactive computer graphics program. For two crystal structures (trypsin-trypsin inhibitor and anti-lysozyme Fab-lysozyme), it is found that the complex corresponds to highly favourable interacting regions in the contour plots. These matches arise from a small number of protruding basic residues interacting with enhanced negative potential in each case. The redox pair cytochrome c peroxidase-cytochrome c exhibits an extensive favourably interacting surface within which a possible electron transfer complex may be defined by an increased electrostatic complementarity, but a decreased electrostatic energy. A possible substrate transfer configuration for the glycolytic enzyme pair glyceraldehyde phosphate dehydrogenase-phosphoglycerate kinase is presented.
Impact of off-diagonal cross-shell interaction on 14C
NASA Astrophysics Data System (ADS)
Yuan, Cen-Xi
2017-10-01
A shell-model investigation is performed to show the impact on the structure of 14C from the off-diagonal cross-shell interaction, 〈pp|V|sdsd〉, which represents the mixing between the 0 and 2ħω configurations in the psd model space. The observed levels of the positive states in 14C can be nicely described in 0-4ħω or a larger model space through the well defined Hamiltonians, YSOX and WBP, with a reduction of the strength of the 〈pp|V|sdsd〉 interaction in the latter. The observed B(GT) values for 14C can be generally described by YSOX, while WBP and their modifications of the 〈pp|V|sdsd〉 interaction fail for some values. Further investigation shows the effect of such interactions on the configuration mixing and occupancy. The present work shows examples of how the off-diagonal cross-shell interaction strongly drives the nuclear structure. Supported by National Natural Science Foundation of China (11305272), Special Program for Applied Research on Super Computation of the NSFC Guangdong Joint Fund (the second phase), the Guangdong Natural Science Foundation (2014A030313217), the Pearl River S&T Nova Program of Guangzhou (201506010060), the Tip-top Scientific and Technical Innovative Youth Talents of Guangdong special support program (2016TQ03N575), and the Fundamental Research Funds for the Central Universities (17lgzd34)
Fales, B Scott; Levine, Benjamin G
2015-10-13
Methods based on a full configuration interaction (FCI) expansion in an active space of orbitals are widely used for modeling chemical phenomena such as bond breaking, multiply excited states, and conical intersections in small-to-medium-sized molecules, but these phenomena occur in systems of all sizes. To scale such calculations up to the nanoscale, we have developed an implementation of FCI in which electron repulsion integral transformation and several of the more expensive steps in σ vector formation are performed on graphical processing unit (GPU) hardware. When applied to a 1.7 × 1.4 × 1.4 nm silicon nanoparticle (Si72H64) described with the polarized, all-electron 6-31G** basis set, our implementation can solve for the ground state of the 16-active-electron/16-active-orbital CASCI Hamiltonian (more than 100,000,000 configurations) in 39 min on a single NVidia K40 GPU.
System dynamics and simulation of LSS
NASA Technical Reports Server (NTRS)
Ryan, R. F.
1978-01-01
Large Space Structures have many unique problems arising from mission objectives and the resulting configuration. Inherent in these configurations is a strong coupling among several of the designing disciplines. In particular, the coupling between structural dynamics and control is a key design consideration. The solution to these interactive problems requires efficient and accurate analysis, simulation and test techniques, and properly planned and conducted design trade studies. The discussion presented deals with these subjects and concludes with a brief look at some NASA capabilities which can support these technology studies.
Characterizing the importance of free space in the numerical human body models.
Chebil, Omar; Arnoux, Pierre-Jean; Behr, Michel
2015-03-01
The geometric fidelity of the inner organs on finite-element model (FEM) of the human body and the choice to use discontinuous mesh engender the appearance of empty spaces that do not reflect the real-life situation of human body cavities. The aim of this study is to assess the influence of these empty spaces on the behavior of a simplified FEM built with three different structures in interaction which properties are relevant with the abdominal cavity. This FEM is made up of a large sphere (peritoneum) containing two hemispheres (liver and spleen). The space between peritoneum and inner organs was defined with two different approaches and assessed under impact conditions. The first is a meshfree space (Mfs) approach, e.g., consider the space as a perfect gas. The second approach, meshed space (MS), entailed adding volumetric elements in the empty space. From each approach, one optimal configuration was identified regarding the recorded force versus compression, the mobility of inner organs, and the space incompressibility. This space has a considerable influence on the behavior of the FEM and mainly on the applied loadings of inner organs (difference reaching 70% according to the configuration). For the first approach, the incompressible gas is designated because it guarantees space incompressibility (vf/vi = 1) and inner organs loading with the lowest delay (for high impact velocity: Peak force = 89 N, compression 47%). For the second approach, the discontinuous volumetric mesh is preferred because it promotes space incompressibility (vf/vi = 0.94) and acceptable force reaction (for high impact velocity: Peak force = 97 N, compression 49%). The current study shows the importance of this space on the human FEMs cavities behavior and proposes two configurations able to be used in a future study including detailed FEM.
Seniority Number in Valence Bond Theory.
Chen, Zhenhua; Zhou, Chen; Wu, Wei
2015-09-08
In this work, a hierarchy of valence bond (VB) methods based on the concept of seniority number, defined as the number of singly occupied orbitals in a determinant or an orbital configuration, is proposed and applied to the studies of the potential energy curves (PECs) of H8, N2, and C2 molecules. It is found that the seniority-based VB expansion converges more rapidly toward the full configuration interaction (FCI) or complete active space self-consistent field (CASSCF) limit and produces more accurate PECs with smaller nonparallelity errors than its molecular orbital (MO) theory-based analogue. Test results reveal that the nonorthogonal orbital-based VB theory provides a reverse but more efficient way to truncate the complete active Hilbert space by seniority numbers.
Advanced-technology space station study: Summary of systems and pacing technologies
NASA Technical Reports Server (NTRS)
Butterfield, A. J.; Garn, P. A.; King, C. B.; Queijo, M. J.
1990-01-01
The principal system features defined for the Advanced Technology Space Station are summarized and the 21 pacing technologies identified during the course of the study are described. The descriptions of system configurations were extracted from four previous study reports. The technological areas focus on those systems particular to all large spacecraft which generate artificial gravity by rotation. The summary includes a listing of the functions, crew requirements and electrical power demand that led to the studied configuration. The pacing technologies include the benefits of advanced materials, in-orbit assembly requirements, stationkeeping, evaluations of electrical power generation alternates, and life support systems. The descriptions of systems show the potential for synergies and identifies the beneficial interactions that can result from technological advances.
ERIC Educational Resources Information Center
Kim Hassell,
2011-01-01
Classroom design for the 21st-century learning environment should accommodate a variety of learning skills and needs. The space should be large enough so it can be configured to accommodate a number of learning activities. This also includes furniture that provides flexibility and accommodates collaboration and interactive work among students and…
Interacting vector fields in relativity without relativity
NASA Astrophysics Data System (ADS)
Anderson, Edward; Barbour, Julian
2002-06-01
Barbour, Foster and Ó Murchadha have recently developed a new framework, called here the 3-space approach, for the formulation of classical bosonic dynamics. Neither time nor a locally Minkowskian structure of spacetime are presupposed. Both arise as emergent features of the world from geodesic-type dynamics on a space of three-dimensional metric-matter configurations. In fact gravity, the universal light-cone and Abelian gauge theory minimally coupled to gravity all arise naturally through a single common mechanism. It yields relativity - and more - without presupposing relativity. This paper completes the recovery of the presently known bosonic sector within the 3-space approach. We show, for a rather general ansatz, that 3-vector fields can interact among themselves only as Yang-Mills fields minimally coupled to gravity.
Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling
Moritsugu, Kei; Terada, Tohru; Kidera, Akinori
2014-01-01
Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an elusive phenomenon, it is necessary to thoroughly survey the large configurational space from the stable complex structure to the dissociated states using the all-atom model in explicit solvent and to delineate the energy landscape of protein-protein interactions. In this study, we carried out a multiscale enhanced sampling (MSES) simulation of the formation of a barnase-barstar complex, which is a protein complex characterized by an extraordinary tight and fast binding, to determine the energy landscape of atomistic protein-protein interactions. The MSES adopts a multicopy and multiscale scheme to enable for the enhanced sampling of the all-atom model of large proteins including explicit solvent. During the 100-ns MSES simulation of the barnase-barstar system, we observed the association-dissociation processes of the atomistic protein complex in solution several times, which contained not only the native complex structure but also fully non-native configurations. The sampled distributions suggest that a large variety of non-native states went downhill to the stable complex structure, like a fast folding on a funnel-like potential. This funnel landscape is attributed to dominant configurations in the early stage of the association process characterized by near-native orientations, which will accelerate the native inter-molecular interactions. These configurations are guided mostly by the shape complementarity between barnase and barstar, and lead to the fast formation of the final complex structure along the downhill energy landscape. PMID:25340714
An integrated power/attitude control system /IPACS/ for space vehicle application
NASA Technical Reports Server (NTRS)
Anderson, W. W.; Keckler, C. R.
1973-01-01
An integrated power and attitude control system (IPACS) concept with potential application to a broad class of space missions is discussed. The concept involves the storage and supply on demand of electrical energy in rotating flywheels while simultaneously providing control torques by controlled precession of the flywheels. The system is thus an alternative to the storage batteries used on present spacecraft while providing similar capability for attitude control as that represented by a control moment gyroscope (CMG) system. Potential IPACS configurations discussed include single- and double-rotor double-gimbal IPACS units. Typical sets of control laws which would manage the momentum and energy exchange between the IPACS and a typical space vehicle are discussed. Discussion of a simulation of a typical potential IPACS configuration and candidate mission concerned with pointing capability, power supply and demand flow, and discussion of the interactions between stabilization and control requirements and power flow requirements are presented.
From Discrete Space-Time to Minkowski Space: Basic Mechanisms, Methods and Perspectives
NASA Astrophysics Data System (ADS)
Finster, Felix
This survey article reviews recent results on fermion systems in discrete space-time and corresponding systems in Minkowski space. After a basic introduction to the discrete setting, we explain a mechanism of spontaneous symmetry breaking which leads to the emergence of a discrete causal structure. As methods to study the transition between discrete space-time and Minkowski space, we describe a lattice model for a static and isotropic space-time, outline the analysis of regularization tails of vacuum Dirac sea configurations, and introduce a Lorentz invariant action for the masses of the Dirac seas. We mention the method of the continuum limit, which allows to analyze interacting systems. Open problems are discussed.
NASA Technical Reports Server (NTRS)
Moses, P. L.; Bouchard, K. A.; Vause, R. F.; Pinckney, S. Z.; Ferlemann, S. M.; Leonard, C. P.; Taylor, L. W., III; Robinson, J. S.; Martin, J. G.; Petley, D. H.
1999-01-01
Airbreathing launch vehicles continue to be a subject of great interest in the space access community. In particular, horizontal takeoff and horizontal landing vehicles are attractive with their airplane-like benefits and flexibility for future space launch requirements. The most promising of these concepts involve airframe integrated propulsion systems, in which the external undersurface of the vehicle forms part of the propulsion flowpath. Combining of airframe and engine functions in this manner involves all of the design disciplines interacting at once. Design and optimization of these configurations is a most difficult activity, requiring a multi-discipline process to analytically resolve the numerous interactions among the design variables. This paper describes the design and optimization of one configuration in this vehicle class, a lifting body with turbine-based low-speed propulsion. The integration of propulsion and airframe, both from an aero-propulsive and mechanical perspective are addressed. This paper primarily focuses on the design details of the preferred configuration and the analyses performed to assess its performance. The integration of both low-speed and high-speed propulsion is covered. Structural and mechanical designs are described along with materials and technologies used. Propellant and systems packaging are shown and the mission-sized vehicle weights are disclosed.
NASA Astrophysics Data System (ADS)
Dessup, Tommy; Coste, Christophe; Saint Jean, Michel
2017-01-01
We study the path toward equilibrium of pairs of solitary wave envelopes (bubbles) that modulate a regular zigzag pattern in an annular channel. We evidence that bubble pairs are metastable states, which spontaneously evolve toward a stable single bubble. We exhibit the concept of topological frustration of a bubble pair. A configuration is frustrated when the particles between the two bubbles are not organized in a modulated staggered row. For a nonfrustrated (NF) bubble pair configuration, the bubbles interaction is attractive, whereas it is repulsive for a frustrated (F) configuration. We describe a model of interacting solitary wave that provides all qualitative characteristics of the interaction force: It is attractive for NF systems and repulsive for F systems and decreases exponentially with the bubbles distance. Moreover, for NF systems, the bubbles come closer and eventually merge as a single bubble, in a coalescence process. We also evidence a collapse process, in which one bubble shrinks in favor of the other one, overcoming an energetic barrier in phase space. This process is relevant for both NF systems and F systems. In NF systems, the coalescence prevails at low temperature, whereas thermally activated jumps make the collapse prevail at high temperature. In F systems, the path toward equilibrium involves a collapse process regardless of the temperature.
Budday, Dominik; Leyendecker, Sigrid; van den Bedem, Henry
2015-01-01
Proteins operate and interact with partners by dynamically exchanging between functional substates of a conformational ensemble on a rugged free energy landscape. Understanding how these substates are linked by coordinated, collective motions requires exploring a high-dimensional space, which remains a tremendous challenge. While molecular dynamics simulations can provide atomically detailed insight into the dynamics, computational demands to adequately sample conformational ensembles of large biomolecules and their complexes often require tremendous resources. Kinematic models can provide high-level insights into conformational ensembles and molecular rigidity beyond the reach of molecular dynamics by reducing the dimensionality of the search space. Here, we model a protein as a kinematic linkage and present a new geometric method to characterize molecular rigidity from the constraint manifold Q and its tangent space Q at the current configuration q. In contrast to methods based on combinatorial constraint counting, our method is valid for both generic and non-generic, e.g., singular configurations. Importantly, our geometric approach provides an explicit basis for collective motions along floppy modes, resulting in an efficient procedure to probe conformational space. An atomically detailed structural characterization of coordinated, collective motions would allow us to engineer or allosterically modulate biomolecules by selectively stabilizing conformations that enhance or inhibit function with broad implications for human health. PMID:26213417
NASA Astrophysics Data System (ADS)
Budday, Dominik; Leyendecker, Sigrid; van den Bedem, Henry
2015-10-01
Proteins operate and interact with partners by dynamically exchanging between functional substates of a conformational ensemble on a rugged free energy landscape. Understanding how these substates are linked by coordinated, collective motions requires exploring a high-dimensional space, which remains a tremendous challenge. While molecular dynamics simulations can provide atomically detailed insight into the dynamics, computational demands to adequately sample conformational ensembles of large biomolecules and their complexes often require tremendous resources. Kinematic models can provide high-level insights into conformational ensembles and molecular rigidity beyond the reach of molecular dynamics by reducing the dimensionality of the search space. Here, we model a protein as a kinematic linkage and present a new geometric method to characterize molecular rigidity from the constraint manifold Q and its tangent space Tq Q at the current configuration q. In contrast to methods based on combinatorial constraint counting, our method is valid for both generic and non-generic, e.g., singular configurations. Importantly, our geometric approach provides an explicit basis for collective motions along floppy modes, resulting in an efficient procedure to probe conformational space. An atomically detailed structural characterization of coordinated, collective motions would allow us to engineer or allosterically modulate biomolecules by selectively stabilizing conformations that enhance or inhibit function with broad implications for human health.
NASA Astrophysics Data System (ADS)
Pillet, N.; Robin, C.; Dupuis, M.; Hupin, G.; Berger, J.-F.
2017-03-01
The main objective of this paper is to review the state of the art of the multiparticle-multihole configuration mixing approach which was proposed and implemented using the Gogny interaction ˜ 10 years ago. Various theoretical aspects are re-analyzed when a Hamiltonian description is chosen: the link with exact many-body theories, the impact of truncations in the multiconfigurational space, the importance of defining single-particle orbitals which are consistent with the correlations introduced in the many-body wave function, the role of the self-consistency, and more practically the numerical convergence algorithm. Several applications done with the phenomenological effective Gogny interaction are discussed. Finally, future directions to extend and generalize the method are discussed.
NASA Technical Reports Server (NTRS)
Parikh, Paresh; Pirzadeh, Shahyar; Loehner, Rainald
1990-01-01
A set of computer programs for 3-D unstructured grid generation, fluid flow calculations, and flow field visualization was developed. The grid generation program, called VGRID3D, generates grids over complex configurations using the advancing front method. In this method, the point and element generation is accomplished simultaneously, VPLOT3D is an interactive, menudriven pre- and post-processor graphics program for interpolation and display of unstructured grid data. The flow solver, VFLOW3D, is an Euler equation solver based on an explicit, two-step, Taylor-Galerkin algorithm which uses the Flux Corrected Transport (FCT) concept for a wriggle-free solution. Using these programs, increasingly complex 3-D configurations of interest to aerospace community were gridded including a complete Space Transportation System comprised of the space-shuttle orbitor, the solid-rocket boosters, and the external tank. Flow solutions were obtained on various configurations in subsonic, transonic, and supersonic flow regimes.
A radioluminescent nuclear battery using volumetric configuration: 63Ni solution/ZnS:Cu,Al/InGaP.
Russo, Johnny; Litz, Marc; Ray, William; Smith, Brenda; Moyers, Richard
2017-12-01
Energy dense power sources are critical to the development of compact, remote sensors for terrestrial and space applications. Nuclear batteries using β - -emitting radioisotopes possess energy densities 1000 times greater than chemical batteries. Their power generation is a function of β - flux saturation point relative to the planar (2D) configuration, β - range, and semiconductor converter. An approach to increase power density in a beta-photovoltaic (β-PV) nuclear battery is described. By using volumetric (3D) configuration, the radioisotope, nickel-63 ( 63 Ni) in a chloride solution was integrated in a phosphor film (ZnS:Cu,Al) where the β - energy is converted into optical energy. The optical energy was converted to electrical energy via an indium gallium phosphate (InGaP) photovoltaic (PV) cell, which was optimized for low light illumination and closely matched to radioluminescence (RL) spectrum. With 15mCi of 63 Ni activity, the 3D configuration energy values surpassed 2D configuration results. The highest total power conversion efficiency (η t ) of 3D configuration was 0.289% at 200µm compared 0.0638% for 2D configuration at 50µm. The highest electrical power and η t for the 3D configuration were 3.35 nW e /cm 2 at an activity of 30mCi and 0.289% at an activity of 15mCi, respectively. By using 3D configuration, the interaction space between the radioisotope source and scintillation material increased, allowing for significant electrical energy output, relative to the 2D configuration. These initial results represent a first step to increase nuclear battery power density from microwatts to milliwatts per 1000cm 3 with the implementation of higher energy β - sources. Published by Elsevier Ltd.
On the Use of a Mixed Gaussian/Finite-Element Basis Set for the Calculation of Rydberg States
NASA Technical Reports Server (NTRS)
Thuemmel, Helmar T.; Langhoff, Stephen (Technical Monitor)
1996-01-01
Configuration-interaction studies are reported for the Rydberg states of the helium atom using mixed Gaussian/finite-element (GTO/FE) one particle basis sets. Standard Gaussian valence basis sets are employed, like those, used extensively in quantum chemistry calculations. It is shown that the term values for high-lying Rydberg states of the helium atom can be obtained accurately (within 1 cm -1), even for a small GTO set, by augmenting the n-particle space with configurations, where orthonormalized interpolation polynomials are singly occupied.
Integrated dynamic analysis simulation of space stations with controllable solar array
NASA Technical Reports Server (NTRS)
Heinrichs, J. A.; Fee, J. J.
1972-01-01
A methodology is formulated and presented for the integrated structural dynamic analysis of space stations with controllable solar arrays and non-controllable appendages. The structural system flexibility characteristics are considered in the dynamic analysis by a synthesis technique whereby free-free space station modal coordinates and cantilever appendage coordinates are inertially coupled. A digital simulation of this analysis method is described and verified by comparison of interaction load solutions with other methods of solution. Motion equations are simulated for both the zero gravity and artificial gravity (spinning) orbital conditions. Closed loop controlling dynamics for both orientation control of the arrays and attitude control of the space station are provided in the simulation by various generic types of controlling systems. The capability of the simulation as a design tool is demonstrated by utilizing typical space station and solar array structural representations and a specific structural perturbing force. Response and interaction load solutions are presented for this structural configuration and indicate the importance of using an integrated type analysis for the predictions of structural interactions.
The vTAS suite: A simulator for classical and multiplexed three-axis neutron spectrometers
NASA Astrophysics Data System (ADS)
Boehm, M.; Filhol, A.; Raoul, Y.; Kulda, J.; Schmidt, W.; Schmalzl, K.; Farhi, E.
2013-01-01
The vTAS suite provides graphical assistance to prepare and perform inelastic neutron scattering experiments on a TAS instrument, including latest multiplexed instrumental configurations, such as FlatCone, IMPS and UFO. The interactive display allows for flexible translation between instrument positions in real space and neutron scattering conditions represented in reciprocal space. It is a platform independent public domain software tool, available for download from the website of the Institut Laue Langevin (ILL).
NASA Technical Reports Server (NTRS)
Spangler, R. H.; Daileda, J. J.
1975-01-01
Tests were conducted on scale models of the space shuttle orbiter and external tank (ET) to determine the aerodynamic interactions during a return to launch site abort separation. The orbiter model was built to vehicle 3 configuration lines (139B) and the ET model approximated the vehicle 5 configurations with protuberances and attach hardware. For these investigations the orbiter was mounted on the primary support system and the external tank was mounted on the captive trajectory system. Six-component data were obtained for each vehicle at various orbiter angles of attack and sideslip for a range of relative angular and linear displacements of the ET from the orbiter.
Large-Eddy Simulation of the Base Flow of a Cylindrical Space Vehicle Configuration
NASA Astrophysics Data System (ADS)
Meiß, J.-H.; Schröder, W.
2009-01-01
A Large-Eddy Simulation (LES) is performed out to in- vestigate high Reynolds number base flow of an axisymmetric rocket-like configuration having an underex- panded nozzle flow. The subsonic base region of low pressure levels is characterized and bounded by the interaction of the freestream of Mach 5.3 and the wide plume of the hot exhaust jet of Mach 3.8. An analysis of the base flow shows that the system of base area vortices determines the highly time-dependent pressure distribution and causes an upstream convection of hot exhaust gas. A comparison of the results with experiments conducted at the German Aerospace Center (DLR) Cologne shows good agreement. The investigation is part of the German RESPACE Pro- gram, which focuses on Key Technologies for Reusable Space Systems.
Coulomb versus spin-orbit interaction in few-electron carbon-nanotube quantum dots
NASA Astrophysics Data System (ADS)
Secchi, Andrea; Rontani, Massimo
2009-07-01
Few-electron states in carbon-nanotube quantum dots are studied by means of the configuration-interaction method. The peculiar noninteracting feature of the tunneling spectrum for two electrons, recently measured by F. Kuemmeth, S. Ilani, D. C. Ralph, and P. L. McEuen [Nature (London) 452, 448 (2008)], is explained by the splitting of a low-lying isospin multiplet due to spin-orbit interaction. Nevertheless, the strongly interacting ground state forms a “Wigner molecule” made of electrons localized in space. Signatures of the electron molecule may be seen in tunneling spectra by varying the tunable dot confinement potential.
NASA Technical Reports Server (NTRS)
Ronney, Paul D.; Wu, Ming-Shin; Pearlman, Howard G.; Weiland, Karen J.
1998-01-01
Results from the Structure Of Flame Balls At Low Lewis-number (SOFBALL) space flight experiment conducted on the MSL-1 Space Shuttle missions are reported. Several new insights were obtained, including: much lower buoyancy-induced drift speed than anticipated pre-flight; repulsion of adjacent flame balls due to their mutual interaction; remarkable sensitivity of flame balls to small accelerations resulting from Orbiter attitude control maneuvers; and very similar net heat release for all flame balls in all mixtures tested. Comparison of experimental results to computational predictions reveals limitations in current models of H2-02 chemistry for very lean mixtures. It is discussed how the results of these space experiments may provide an improved understanding of the interactions of the two most important phenomena in combusting materials, namely chemical reaction and transport processes, in the unequivocally simplest possible configuration.
NASA Astrophysics Data System (ADS)
Nagatomo, M.; Kaya, N.; Matsumoto, H.
1984-10-01
One type of problem arising in connection with an evaluation of the feasibility of the Solar Power Satellite (SPS) and the definition of suitable SPS designs is related to environmental issues. Questions exist, for instance, regarding the interaction between microwave power and the upper atmosphere. The present investigation is concerned with the Microwave Ionosphere Nonlinear Interaction Experiment (MINIX), which is a space plasma experiment originally devoted to the research of space plasma physics. MINIX is eventually to observe possible effects of a strong microwave field in the ionospheric environment. The scientific requirements of the MINIX are discussed, taking into account functional and experimental conditions. Attention is also given to rocket characteristics, experimental design, the payload, the inflight experiment configuration, and details concerning the conduction of the experiment.
Gravitational collapse of dark energy field configurations and supermassive black hole formation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jhalani, V.; Kharkwal, H.; Singh, A., E-mail: anupamsingh.iitk@gmail.com
Dark energy is the dominant component of the total energy density of our Universe. The primary interaction of dark energy with the rest of the Universe is gravitational. It is therefore important to understand the gravitational dynamics of dark energy. Since dark energy is a low-energy phenomenon from the perspective of particle physics and field theory, a fundamental approach based on fields in curved space should be sufficient to understand the current dynamics of dark energy. Here, we take a field theory approach to dark energy. We discuss the evolution equations for a generic dark energy field in curved space-timemore » and then discuss the gravitational collapse for dark energy field configurations. We describe the 3 + 1 BSSN formalism to study the gravitational collapse of fields for any general potential for the fields and apply this formalism to models of dark energy motivated by particle physics considerations. We solve the resulting equations for the time evolution of field configurations and the dynamics of space-time. Our results show that gravitational collapse of dark energy field configurations occurs and must be considered in any complete picture of our Universe. We also demonstrate the black hole formation as a result of the gravitational collapse of the dark energy field configurations. The black holes produced by the collapse of dark energy fields are in the supermassive black hole category with the masses of these black holes being comparable to the masses of black holes at the centers of galaxies.« less
Gibbsian Stationary Non-equilibrium States
NASA Astrophysics Data System (ADS)
De Carlo, Leonardo; Gabrielli, Davide
2017-09-01
We study the structure of stationary non-equilibrium states for interacting particle systems from a microscopic viewpoint. In particular we discuss two different discrete geometric constructions. We apply both of them to determine non reversible transition rates corresponding to a fixed invariant measure. The first one uses the equivalence of this problem with the construction of divergence free flows on the transition graph. Since divergence free flows are characterized by cyclic decompositions we can generate families of models from elementary cycles on the configuration space. The second construction is a functional discrete Hodge decomposition for translational covariant discrete vector fields. According to this, for example, the instantaneous current of any interacting particle system on a finite torus can be canonically decomposed in a gradient part, a circulation term and an harmonic component. All the three components are associated with functions on the configuration space. This decomposition is unique and constructive. The stationary condition can be interpreted as an orthogonality condition with respect to an harmonic discrete vector field and we use this decomposition to construct models having a fixed invariant measure.
An Improved Elastic and Nonelastic Neutron Transport Algorithm for Space Radiation
NASA Technical Reports Server (NTRS)
Clowdsley, Martha S.; Wilson, John W.; Heinbockel, John H.; Tripathi, R. K.; Singleterry, Robert C., Jr.; Shinn, Judy L.
2000-01-01
A neutron transport algorithm including both elastic and nonelastic particle interaction processes for use in space radiation protection for arbitrary shield material is developed. The algorithm is based upon a multiple energy grouping and analysis of the straight-ahead Boltzmann equation by using a mean value theorem for integrals. The algorithm is then coupled to the Langley HZETRN code through a bidirectional neutron evaporation source term. Evaluation of the neutron fluence generated by the solar particle event of February 23, 1956, for an aluminum water shield-target configuration is then compared with MCNPX and LAHET Monte Carlo calculations for the same shield-target configuration. With the Monte Carlo calculation as a benchmark, the algorithm developed in this paper showed a great improvement in results over the unmodified HZETRN solution. In addition, a high-energy bidirectional neutron source based on a formula by Ranft showed even further improvement of the fluence results over previous results near the front of the water target where diffusion out the front surface is important. Effects of improved interaction cross sections are modest compared with the addition of the high-energy bidirectional source terms.
NASA Astrophysics Data System (ADS)
Liu, B.; McLean, A. D.
1989-08-01
We report the LM-2 helium dimer interaction potential, from helium separations of 1.6 Å to dissociation, obtained by careful convergence studies with respect to configuration space, through a sequence of interacting correlated fragment (ICF) wave functions, and with respect to the primitive Slater-type basis used for orbital expansion. Parameters of the LM-2 potential are re=2.969 Å, rm=2.642 Å, and De=10.94 K, in near complete agreement with those of the best experimental potential of Aziz, McCourt, and Wong [Mol. Phys. 61, 1487 (1987)], which are re=2.963 Å, rm=2.637 Å, and De=10.95 K. The computationally estimated accuracy of each point on the potential is given; at re it is 0.03 K. Extrapolation procedures used to produce the LM-2 potential make use of the orbital basis inconsistency (OBI) and configuration base inconsistency (CBI) adjustments to separated fragment energies when computing the interaction energy. These components of basis set superposition error (BSSE) are given a full discussion.
Counting relative equilibrium configurations of the full two-body problem
NASA Astrophysics Data System (ADS)
Moeckel, Richard
2018-02-01
Consider a system of two rigid, massive bodies interacting according to their mutual gravitational attraction. In a relative equilibrium motion, the bodies rotate rigidly and uniformly about a fixed axis in R^3. This is possible only for special positions and orientations of the bodies. After fixing the angular momentum, these relative equilibrium configurations can be characterized as critical points of a smooth function on configuration space. The goal of this paper is to use Morse theory and Lusternik-Schnirelmann category theory to give lower bounds for the number of critical points when the angular momentum is sufficiently large. In addition, the exact number of critical points and their Morse indices are found in the limit as the angular momentum tends to infinity.
NASA Astrophysics Data System (ADS)
Yamaguchi, Yukio; Schaefer, Henry F., III
1997-12-01
Four electronically lowest-lying ( X˜ 3B 1, ã 1A 1, b˜ 1B 1, and c˜ 1A 1) states of CH 2 have been investigated systematically using ab initio electronic structure theory. Complete active space (CAS) self-consistent-field (SCF) second-order configuration interaction (SOCI) and state-averaged (SA) CASSCF-SOCI levels of theory have been employed. The CASSCF reference wave function was constructed by minimizing the total energy of a specified state, while the SACASSCF reference wave function was obtained by minimizing the equally weighted total energy of the four ( X˜ 3B 1, ã 1A 1, b˜ 1B 1, and c˜ 1A 1) states. The third excited state ( c˜ 1A 1 or 2 1A 1) is of particular theoretical interest because it is represented by the second root of CASSCF and SOCI Hamiltonian matrices. Theoretical treatments of states not the lowest of their symmetry require special attention due to their tendency of variational collapse to the lower-lying state(s). For these four lowest-lying states total energies and physical properties including dipole moments, harmonic vibrational frequencies, and associated infrared (IR) intensities were determined and compared with the results from the configuration interaction with single and double excitations (CISD) method and available experimental values. The CASSCF-SOCI method should provide the most reliable energetics and physical properties in the present study owing to its fully variational nature in the molecular orbital (MO) and CI spaces for a given state. It is demonstrated that the SACASSCF-SOCI wave functions produce results which are quite consistent with those from the CASSCF-SOCI method. Thus significantly increased application of the SACASSCF-SOCI method to the excited states of a wide variety of molecular systems is expected.
Space Experiments with Particle Accelerators (SEPAC)
NASA Technical Reports Server (NTRS)
Obayashi, T.; Kawashima, N.; Kuriki, K.; Nagatomo, M.; Ninomiya, K.; Sasaki, S.; Ushirokawa, A.; Kudo, I.; Ejiri, M.; Roberts, W. T.
1982-01-01
Plans for SEPAC, an instrument array to be used on Spacelab 1 to study vehicle charging and neutralization, beam-plasma interaction in space, beam-atmospheric interaction exciting artificial aurora and airglow, and the electromagnetic-field configuration of the magnetosphere, are presented. The hardware, consisting of electron beam accelerator, magnetoplasma arcjet, neutral-gas plume generator, power supply, diagnostic package (photometer, plasma probes, particle analyzers, and plasma-wave package), TV monitor, and control and data-management unit, is described. The individual SEPAC experiments, the typical operational sequence, and the general outline of the SEPAC follow-on mission are discussed. Some of the experiments are to be joint ventures with AEPI (INS 003) and will be monitored by low-light-level TV.
NASA Technical Reports Server (NTRS)
Brewer, E. B.; Haberman, D. R.
1974-01-01
Heat transfer rates and pressures were measured on a 0.0175-scale model of the space shuttle external tank (ET), model MCR0200. Tests were conducted with the ET model separately and while mated with a 0.0175-scale model of the orbiter, model 21-OT (Grumman). The tests were conducted in the AEDC-VKF Hypervelocity Wind Tunnel (F) at Mach numbers 16 and 19. The primary data consisted of the interaction heating rates experienced by the ET while mated with the orbiter in the flight configuration. Data were taken for a range of Reynolds numbers from 50,000 to 65,000 under laminar flow conditions.
The environment workbench: A design tool for Space Station Freedom
NASA Technical Reports Server (NTRS)
Jongeward, Gary A.; Kuharski, Robert A.; Rankin, Thomas V.; Wilcox, Katherine G.; Roche, James C.
1991-01-01
The environment workbench (EWB) is being developed for NASA by S-CUBED to provide a standard tool that can be used by the Space Station Freedom (SSF) design and user community for requirements verification. The desktop tool will predict and analyze the interactions of SSF with its natural and self-generated environments. A brief review of the EWB design and capabilities is presented. Calculations using a prototype EWB of the on-orbit floating potentials and contaminant environment of SSF are also presented. Both the positive and negative grounding configurations for the solar arrays are examined to demonstrate the capability of the EWB to provide quick estimates of environments, interactions, and system effects.
NASA Technical Reports Server (NTRS)
Monta, W. J.; Rausch, J. R.
1973-01-01
The effects of the reaction control system (RCS) jet-flow field interactions on the space shuttle orbiter system during entry are discussed. The primary objective of the test program was to obtain data for the shuttle orbiter configuration to determine control amplification factors resulting from jet interaction between the RCS plumes and the external flow over the vehicle. A secondary objective was to provide data for comparison and improvement of analytic jet interaction prediction techniques. The test program was divided into two phases; (1) force and moment measurements were made with and without RCS blowing, investigating environment parameters (R sub e, Alpha, Beta), RCS plume parameters (Jet pressure ratio, momentum ratio and thrust level), and geometry parameters (RCS pod locations) on the orbiter model, (2) oil flow visualization tests were conducted on a dummy balance at the end of the test.
Numerical model of solar dynamic radiator for parametric analysis
NASA Technical Reports Server (NTRS)
Rhatigan, Jennifer L.
1989-01-01
Growth power requirements for Space Station Freedom will be met through addition of 25 kW solar dynamic (SD) power modules. The SD module rejects waste heat from the power conversion cycle to space through a pumped-loop, multi-panel, deployable radiator. The baseline radiator configuration was defined during the Space Station conceptual design phase and is a function of the state point and heat rejection requirements of the power conversion unit. Requirements determined by the overall station design such as mass, system redundancy, micrometeoroid and space debris impact survivability, launch packaging, costs, and thermal and structural interaction with other station components have also been design drivers for the radiator configuration. Extensive thermal and power cycle modeling capabilities have been developed which are powerful tools in Station design and analysis, but which prove cumbersome and costly for simple component preliminary design studies. In order to aid in refining the SD radiator to the mature design stage, a simple and flexible numerical model was developed. The model simulates heat transfer and fluid flow performance of the radiator and calculates area mass and impact survivability for many combinations of flow tube and panel configurations, fluid and material properties, and environmental and cycle variations. A brief description and discussion of the numerical model, it's capabilities and limitations, and results of the parametric studies performed is presented.
NASA Technical Reports Server (NTRS)
1982-01-01
The Space Operations Center (SOC) orbital space station research missions integration, crew requirements, SOC operations, and configurations are analyzed. Potential research and applications missions and their requirements are described. The capabilities of SOC are compared with user requirements. The SOC/space shuttle and shuttle-derived vehicle flight support operations and SOC orbital operations are described. Module configurations and systems options, SOC/external tank configurations, and configurations for geostationary orbits are described. Crew and systems safety configurations are summarized.
Methods and apparatus for cooling wind turbine generators
Salamah, Samir A [Niskayuna, NY; Gadre, Aniruddha Dattatraya [Rexford, NY; Garg, Jivtesh [Schenectady, NY; Bagepalli, Bharat Sampathkumaran [Niskayuna, NY; Jansen, Patrick Lee [Alplaus, NY; Carl, Jr., Ralph James
2008-10-28
A wind turbine generator includes a stator having a core and a plurality of stator windings circumferentially spaced about a generator longitudinal axis. A rotor is rotatable about the generator longitudinal axis, and the rotor includes a plurality of magnetic elements coupled to the rotor and cooperating with the stator windings. The magnetic elements are configured to generate a magnetic field and the stator windings are configured to interact with the magnetic field to generate a voltage in the stator windings. A heat pipe assembly thermally engaging one of the stator and the rotor to dissipate heat generated in the stator or rotor.
The Synergistic Engineering Environment
NASA Technical Reports Server (NTRS)
Cruz, Jonathan
2006-01-01
The Synergistic Engineering Environment (SEE) is a system of software dedicated to aiding the understanding of space mission operations. The SEE can integrate disparate sets of data with analytical capabilities, geometric models of spacecraft, and a visualization environment, all contributing to the creation of an interactive simulation of spacecraft. Initially designed to satisfy needs pertaining to the International Space Station, the SEE has been broadened in scope to include spacecraft ranging from those in low orbit around the Earth to those on deep-space missions. The SEE includes analytical capabilities in rigid-body dynamics, kinematics, orbital mechanics, and payload operations. These capabilities enable a user to perform real-time interactive engineering analyses focusing on diverse aspects of operations, including flight attitudes and maneuvers, docking of visiting spacecraft, robotic operations, impingement of spacecraft-engine exhaust plumes, obscuration of instrumentation fields of view, communications, and alternative assembly configurations. .
System impacts of solar dynamic and growth power systems on space station
NASA Technical Reports Server (NTRS)
Farmer, J. T.; Cuddihy, W. F.; Lovelace, U. M.; Badi, D. M.
1986-01-01
Concepts for the 1990's space station envision an initial operational capability with electrical power output requirements of approximately 75 kW and growth power requirements in the range of 300 kW over a period of a few years. Photovoltaic and solar dynamic power generation techniques are contenders for supplying this power to the space station. A study was performed to identify growth power subsystem impacts on other space station subsystems. Subsystem interactions that might suggest early design changes for the space station were emphasized. Quantitative analyses of the effects of power subsystem mass and projected area on space station controllability and reboost requirements were conducted for a range of growth station configurations. Impacts on space station structural dynamics as a function of power subsystem growth were also considered.
High flux, narrow bandwidth compton light sources via extended laser-electron interactions
Barty, V P
2015-01-13
New configurations of lasers and electron beams efficiently and robustly produce high flux beams of bright, tunable, polarized quasi-monoenergetic x-rays and gamma-rays via laser-Compton scattering. Specifically, the use of long-duration, pulsed lasers and closely-spaced, low-charge and low emittance bunches of electron beams increase the spectral flux of the Compton-scattered x-rays and gamma rays, increase efficiency of the laser-electron interaction and significantly reduce the overall complexity of Compton based light sources.
NASA Technical Reports Server (NTRS)
Bauschlicher, C. W., Jr.; Yarkony, D. R.
1980-01-01
A previously reported multi-configuration self-consistent field (MCSCF) algorithm based on the generalized Brillouin theorem is extended in order to treat the excited states of polar molecules. In particular, the algorithm takes into account the proper treatment of nonorthogonality in the space of single excitations and invokes, when necessary, a constrained optimization procedure to prevent the variational collapse of excited states. In addition, a configuration selection scheme (suitable for use in conjunction with extended configuration interaction methods) is proposed for the MCSCF procedure. The algorithm is used to study the low-lying singlet states of BeO, a system which has not previously been studied using an MCSCF procedure. MCSCF wave functions are obtained for three 1 Sigma + and two 1 Pi states. The 1 Sigma + results are juxtaposed with comparable results for MgO in order to assess the generality of the description presented here.
NASA Astrophysics Data System (ADS)
Kähler, Sven; Olsen, Jeppe
2017-11-01
A computational method is presented for systems that require high-level treatments of static and dynamic electron correlation but cannot be treated using conventional complete active space self-consistent field-based methods due to the required size of the active space. Our method introduces an efficient algorithm for perturbative dynamic correlation corrections for compact non-orthogonal MCSCF calculations. In the algorithm, biorthonormal expansions of orbitals and CI-wave functions are used to reduce the scaling of the performance determining step from quadratic to linear in the number of configurations. We describe a hierarchy of configuration spaces that can be chosen for the active space. Potential curves for the nitrogen molecule and the chromium dimer are compared for different configuration spaces. Already the most compact spaces yield qualitatively correct potentials that with increasing size of configuration spaces systematically approach complete active space results.
Conflicts and Configurations in a Liminal Space: SoTL Scholars' Identity Development
ERIC Educational Resources Information Center
Simmons, Nicola; Abrahamson, Earle; Deshler, Jessica M.; Kensington-Miller, Barbara; Manarin, Karen; Morón-García, Sue; Oliver, Carolyn; Renc-Roe, Joanna
2013-01-01
Although academic identity has received attention in the literature, there have been few attempts to understand the influence on identity from engagement with the Scholarship of Teaching and Learning (SoTL). In this paper, we (a group of eight scholars from five different countries) describe how our interactions with SoTL have impacted the shaping…
NASA Astrophysics Data System (ADS)
Gudmundsson, Vidar; Abdullah, Nzar Rauf; Sitek, Anna; Goan, Hsi-Sheng; Tang, Chi-Shung; Manolescu, Andrei
2018-06-01
We calculate the current correlations for the steady-state electron transport through multi-level parallel quantum dots embedded in a short quantum wire, that is placed in a non-perfect photon cavity. We account for the electron-electron Coulomb interaction, and the para- and diamagnetic electron-photon interactions with a stepwise scheme of configuration interactions and truncation of the many-body Fock spaces. In the spectral density of the temporal current-current correlations we identify all the transitions, radiative and non-radiative, active in the system in order to maintain the steady state. We observe strong signs of two types of Rabi oscillations.
METEOSAT studies of clouds and radiation budget
NASA Technical Reports Server (NTRS)
Saunders, R. W.
1982-01-01
Radiation budget studies of the atmosphere/surface system from Meteosat, cloud parameter determination from space, and sea surface temperature measurements from TIROS N data are all described. This work was carried out on the interactive planetary image processing system (IPIPS), which allows interactive manipulationion of the image data in addition to the conventional computational tasks. The current hardware configuration of IPIPS is shown. The I(2)S is the principal interactive display allowing interaction via a trackball, four buttons under program control, or a touch tablet. Simple image processing operations such as contrast enhancing, pseudocoloring, histogram equalization, and multispectral combinations, can all be executed at the push of a button.
NASA Astrophysics Data System (ADS)
Fink, Reinhold F.
2009-02-01
The retaining the excitation degree (RE) partitioning [R.F. Fink, Chem. Phys. Lett. 428 (2006) 461(20 September)] is reformulated and applied to multi-reference cases with complete active space (CAS) reference wave functions. The generalised van Vleck perturbation theory is employed to set up the perturbation equations. It is demonstrated that this leads to a consistent and well defined theory which fulfils all important criteria of a generally applicable ab initio method: The theory is proven numerically and analytically to be size-consistent and invariant with respect to unitary orbital transformations within the inactive, active and virtual orbital spaces. In contrast to most previously proposed multi-reference perturbation theories the necessary condition for a proper perturbation theory to fulfil the zeroth order perturbation equation is exactly satisfied with the RE partitioning itself without additional projectors on configurational spaces. The theory is applied to several excited states of the benchmark systems CH2 , SiH2 , and NH2 , as well as to the lowest states of the carbon, nitrogen and oxygen atoms. In all cases comparisons are made with full configuration interaction results. The multi-reference (MR)-RE method is shown to provide very rapidly converging perturbation series. Energy differences between states of similar configurations converge even faster.
Space Shuttle Orbiter Wing-Leading-Edge Panel Thermo-Mechanical Analysis for Entry Conditions
NASA Technical Reports Server (NTRS)
Knight, Norman F., Jr.; Song, Kyongchan; Raju, Ivatury S.
2010-01-01
Linear elastic, thermo-mechanical stress analyses of the Space Shuttle Orbiter wing-leading-edge panels is presented for entry heating conditions. The wing-leading-edge panels are made from reinforced carbon-carbon and serve as a part of the overall thermal protection system. Three-dimensional finite element models are described for three configurations: integrated configuration, an independent single-panel configuration, and a local lower-apex joggle segment. Entry temperature conditions are imposed and the through-the-thickness response is examined. From the integrated model, it was concluded that individual panels can be analyzed independently since minimal interaction between adjacent components occurred. From the independent single-panel model, it was concluded that increased through-the-thickness stress levels developed all along the chord of a panel s slip-side joggle region, and hence isolated local joggle sections will exhibit the same trend. From the local joggle models, it was concluded that two-dimensional plane-strain models can be used to study the influence of subsurface defects along the slip-side joggle region of these panels.
Resonance interaction energy between two entangled atoms in a photonic bandgap environment.
Notararigo, Valentina; Passante, Roberto; Rizzuto, Lucia
2018-03-26
We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction asymptotically decays faster with distance compared to the free-space case, specifically as 1/r 2 compared to the 1/r free-space dependence in the three-dimensional case, and as 1/r compared to the oscillatory dependence in free space for the one-dimensional case. Nonetheless, the interaction energy remains significant and much stronger than dispersion interactions between atoms. On the other hand, spontaneous emission is strongly suppressed by the environment and the correlated state is thus preserved by the spontaneous-decay decoherence effects. We conclude that our configuration is suitable for observing the elusive quantum resonance interaction between entangled atoms.
NASA Technical Reports Server (NTRS)
Daileda, J. J.; Marroquin, J.; Rogers, C. E.
1976-01-01
A hypersonic shock tunnel test on a 0.010 scale SSV orbital configuration was performed to determine the effects of RCS jet/flow field interactions on SSV aerodynamic stability and control characteristics at various hypersonic Mach and Reynolds numbers. Flow field interaction data were obtained using pitch and roll jets. In addition, direct impingement data were obtained at a Mach number of zero with the test section pumped down to below 10 microns of mercury pressure.
A Parametric Geometry Computational Fluid Dynamics (CFD) Study Utilizing Design of Experiments (DOE)
NASA Technical Reports Server (NTRS)
Rhew, Ray D.; Parker, Peter A.
2007-01-01
Design of Experiments (DOE) was applied to the LAS geometric parameter study to efficiently identify and rank primary contributors to integrated drag over the vehicles ascent trajectory in an order of magnitude fewer CFD configurations thereby reducing computational resources and solution time. SME s were able to gain a better understanding on the underlying flowphysics of different geometric parameter configurations through the identification of interaction effects. An interaction effect, which describes how the effect of one factor changes with respect to the levels of other factors, is often the key to product optimization. A DOE approach emphasizes a sequential approach to learning through successive experimentation to continuously build on previous knowledge. These studies represent a starting point for expanded experimental activities that will eventually cover the entire design space of the vehicle and flight trajectory.
Gardner, John; Williams, Clare
2015-06-01
An emerging body of literature in sociology has demonstrated that diagnosis is a useful focal point for understanding the social dimensions of health and illness. This article contributes to this work by drawing attention to the relationship between diagnostic spaces and the way in which clinicians use their own bodies during the diagnostic process. As a case study, we draw upon fieldwork conducted with a multidisciplinary clinical team providing deep brain stimulation (DBS) to treat children with a movement disorder called dystonia. Interviews were conducted with team members and diagnostic examinations were observed. We illustrate that clinicians use communicative body work and verbal communication to transform a material terrain into diagnostic space, and we illustrate how this diagnostic space configures forms of embodied 'sensing-and-acting' within. We argue that a 'diagnosis' can be conceptualised as emerging from an interaction in which space, the clinician-body, and the patient-body (or body-part) mutually configure one another. By conceptualising diagnosis in this way, this article draws attention to the corporal bases of diagnostic power and counters Cartesian-like accounts of clinical work in which the patient-body is objectified by a disembodied medical discourse. © 2015 The Authors. Sociology of Health & Illness © 2015 Foundation for the Sociology of Health & Illness.
Access to Space Interactive Design Web Site
NASA Technical Reports Server (NTRS)
Leon, John; Cutlip, William; Hametz, Mark
2000-01-01
The Access To Space (ATS) Group at NASA's Goddard Space Flight Center (GSFC) supports the science and technology community at GSFC by facilitating frequent and affordable opportunities for access to space. Through partnerships established with access mode suppliers, the ATS Group has developed an interactive Mission Design web site. The ATS web site provides both the information and the tools necessary to assist mission planners in selecting and planning their ride to space. This includes the evaluation of single payloads vs. ride-sharing opportunities to reduce the cost of access to space. Features of this site include the following: (1) Mission Database. Our mission database contains a listing of missions ranging from proposed missions to manifested. Missions can be entered by our user community through data input tools. Data is then accessed by users through various search engines: orbit parameters, ride-share opportunities, spacecraft parameters, other mission notes, launch vehicle, and contact information. (2) Launch Vehicle Toolboxes. The launch vehicle toolboxes provide the user a full range of information on vehicle classes and individual configurations. Topics include: general information, environments, performance, payload interface, available volume, and launch sites.
Energy levels, lifetimes and radiative data of W LV
NASA Astrophysics Data System (ADS)
Ding, Xiao-bin; Sun, Rui; Koike, Fumihiro; Murakami, Izumi; Kato, Daiji; Sakaue, Hiroyuki A.; Nakamura, Nobuyuki; Dong, Chen-zhong
2018-01-01
Calculations of energy levels, radiative data and lifetimes are reported for tungsten Ca-like ion (W LV) by using multi-configuration Dirac-Fock (MCDF) method. The GRASP2K package is adopted to carry out a large-scale systematic computation with a restricted active space treatment; the Breit interaction and QED effects are included in subsequent relativistic configuration interaction calculations. The energies and lifetimes of the lowest 119 levels are listed; the main leading configuration of the levels is of the ground state configuration [Ne]3s23p63d2 and the first excited configuration [Ne]3s23p53d3. The wavelengths, radiative rates and oscillator strengths for relatively strong E1, E2, M1, and M2 transitions are listed. Comparisons with earlier experimental and theoretical values are made. The average relative deviations of energy levels from the NIST results and E1 transition wavelengths from the EBIT experimental results have turned to be only 0.20% and 0.13%, respectively. The other present results are in reasonable agreement with available data. These agreements confirm the reliability and accuracy of the current results. The present datasets may help us with the investigation of the electron-electron correlation effects in complex multi-electron highly charged heavy ions and of the diagnosis of tungsten impurity plasmas in fusion science.
Experiments in interactive panoramic cinema
NASA Astrophysics Data System (ADS)
Fisher, Scott S.; Anderson, Steve; Ruiz, Susana; Naimark, Michael; Hoberman, Perry; Bolas, Mark; Weinberg, Richard
2005-03-01
For most of the past 100 years, cinema has been the premier medium for defining and expressing relations to the visible world. However, cinematic spectacles delivered in darkened theaters are predicated on a denial of both the body and the physical surroundings of the spectators who are watching it. To overcome these deficiencies, filmmakers have historically turned to narrative, seducing audiences with compelling stories and providing realistic characters with whom to identify. This paper describes several research projects in interactive panoramic cinema that attempt to sidestep the narrative preoccupations of conventional cinema and instead are based on notions of space, movement and embodied spectatorship rather than traditional storytelling. Example projects include interactive works developed with the use of a unique 360 degree camera and editing system, and also development of panoramic imagery for a large projection environment with 14 screens on 3 adjacent walls in a 5-4-5 configuration with observations and findings from an experiment projecting panoramic video on 12 of the 14, in a 4-4-4 270 degree configuration.
NASA Astrophysics Data System (ADS)
Arndt, J.; Kreimer, J.
2010-09-01
The European Space Laboratory COLUMBUS was launched in February 2008 with NASA Space Shuttle Atlantis. Since successful docking and activation this manned laboratory forms part of the International Space Station(ISS). Depending on the objectives of the Mission Increments the on-orbit configuration of the COLUMBUS Module varies with each increment. This paper describes the end-to-end verification which has been implemented to ensure safe operations under the condition of a changing on-orbit configuration. That verification process has to cover not only the configuration changes as foreseen by the Mission Increment planning but also those configuration changes on short notice which become necessary due to near real-time requests initiated by crew or Flight Control, and changes - most challenging since unpredictable - due to on-orbit anomalies. Subject of the safety verification is on one hand the on orbit configuration itself including the hardware and software products, on the other hand the related Ground facilities needed for commanding of and communication to the on-orbit System. But also the operational products, e.g. the procedures prepared for crew and ground control in accordance to increment planning, are subject of the overall safety verification. In order to analyse the on-orbit configuration for potential hazards and to verify the implementation of the related Safety required hazard controls, a hierarchical approach is applied. The key element of the analytical safety integration of the whole COLUMBUS Payload Complement including hardware owned by International Partners is the Integrated Experiment Hazard Assessment(IEHA). The IEHA especially identifies those hazardous scenarios which could potentially arise through physical and operational interaction of experiments. A major challenge is the implementation of a Safety process which owns quite some rigidity in order to provide reliable verification of on-board Safety and which likewise provides enough flexibility which is desired by manned space operations with scientific objectives. In the period of COLUMBUS operations since launch already a number of lessons learnt could be implemented especially in the IEHA that allow to improve the flexibility of on-board operations without degradation of Safety.
Dynamic positioning configuration and its first-order optimization
NASA Astrophysics Data System (ADS)
Xue, Shuqiang; Yang, Yuanxi; Dang, Yamin; Chen, Wu
2014-02-01
Traditional geodetic network optimization deals with static and discrete control points. The modern space geodetic network is, on the other hand, composed of moving control points in space (satellites) and on the Earth (ground stations). The network configuration composed of these facilities is essentially dynamic and continuous. Moreover, besides the position parameter which needs to be estimated, other geophysical information or signals can also be extracted from the continuous observations. The dynamic (continuous) configuration of the space network determines whether a particular frequency of signals can be identified by this system. In this paper, we employ the functional analysis and graph theory to study the dynamic configuration of space geodetic networks, and mainly focus on the optimal estimation of the position and clock-offset parameters. The principle of the D-optimization is introduced in the Hilbert space after the concept of the traditional discrete configuration is generalized from the finite space to the infinite space. It shows that the D-optimization developed in the discrete optimization is still valid in the dynamic configuration optimization, and this is attributed to the natural generalization of least squares from the Euclidean space to the Hilbert space. Then, we introduce the principle of D-optimality invariance under the combination operation and rotation operation, and propose some D-optimal simplex dynamic configurations: (1) (Semi) circular configuration in 2-dimensional space; (2) the D-optimal cone configuration and D-optimal helical configuration which is close to the GPS constellation in 3-dimensional space. The initial design of GPS constellation can be approximately treated as a combination of 24 D-optimal helixes by properly adjusting the ascending node of different satellites to realize a so-called Walker constellation. In the case of estimating the receiver clock-offset parameter, we show that the circular configuration, the symmetrical cone configuration and helical curve configuration are still D-optimal. It shows that the given total observation time determines the optimal frequency (repeatability) of moving known points and vice versa, and one way to improve the repeatability is to increase the rotational speed. Under the Newton's law of motion, the frequency of satellite motion determines the orbital altitude. Furthermore, we study three kinds of complex dynamic configurations, one of which is the combination of D-optimal cone configurations and a so-called Walker constellation composed of D-optimal helical configuration, the other is the nested cone configuration composed of n cones, and the last is the nested helical configuration composed of n orbital planes. It shows that an effective way to achieve high coverage is to employ the configuration composed of a certain number of moving known points instead of the simplex configuration (such as D-optimal helical configuration), and one can use the D-optimal simplex solutions or D-optimal complex configurations in any combination to achieve powerful configurations with flexile coverage and flexile repeatability. Alternately, how to optimally generate and assess the discrete configurations sampled from the continuous one is discussed. The proposed configuration optimization framework has taken the well-known regular polygons (such as equilateral triangle and quadrangular) in two-dimensional space and regular polyhedrons (regular tetrahedron, cube, regular octahedron, regular icosahedron, or regular dodecahedron) into account. It shows that the conclusions made by the proposed technique are more general and no longer limited by different sampling schemes. By the conditional equation of D-optimal nested helical configuration, the relevance issues of GNSS constellation optimization are solved and some examples are performed by GPS constellation to verify the validation of the newly proposed optimization technique. The proposed technique is potentially helpful in maintenance and quadratic optimization of single GNSS of which the orbital inclination and the orbital altitude change under the precession, as well as in optimally nesting GNSSs to perform global homogeneous coverage of the Earth.
High-Resolution Mesoscale Model Setup for the Eastern Range and Wallops Flight Facility
NASA Technical Reports Server (NTRS)
Watson, Leela R.; Zavodsky, Bradley T.
2015-01-01
Mesoscale weather conditions can have an adverse effect on space launch, landing, ground processing, and weather advisories, watches, and warnings at the Eastern Range (ER) in Florida and Wallops Flight Facility (WFF) in Virginia. During summer, land-sea interactions across Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) lead to sea breeze front formation, which can spawn deep convection that can hinder operations and endanger personnel and resources. Many other weak locally-driven low-level boundaries and their interactions with the sea breeze front and each other can also initiate deep convection in the KSC/CCAFS area. These convective processes often last 60 minutes or less and pose a significant challenge to the local forecasters. Surface winds during the transition seasons (spring and fall) pose the most difficulties for the forecasters at WFF. They also encounter problems forecasting convective activity and temperature during those seasons. Therefore, accurate mesoscale model forecasts are needed to better forecast a variety of unique weather phenomena. Global and national scale models cannot properly resolve important local-scale weather features at each location due to their horizontal resolutions being much too coarse. Therefore, a properly tuned local data assimilation (DA) and forecast model at a high resolution is needed to provide improved capability. To accomplish this, a number of sensitivity tests were performed using the Weather Research and Forecasting (WRF) model in order to determine the best DA/model configuration for operational use at each of the space launch ranges to best predict winds, precipitation, and temperature. A set of Perl scripts to run the Gridpoint Statistical Interpolation (GSI)/WRF in real-time were provided by NASA's Short-term Prediction Research and Transition Center (SPoRT). The GSI can analyze many types of observational data including satellite, radar, and conventional data. The GSI/WRF scripts use a cycled GSI system similar to the operational North American Mesoscale (NAM) model. The scripts run a 12-hour pre-cycle in which data are assimilated from 12 hours prior up to the model initialization time. A number of different model configurations were tested for both the ER and WFF by varying the horizontal resolution on which the data assimilation was done. Three different grid configurations were run for the ER and two configurations were run for WFF for archive cases from 27 Aug 2013 through 10 Nov 2013. To quantify model performance, standard model output will be compared to the Meteorological Assimilation Data Ingest System (MADIS) data. The MADIS observation data will be compared to the WRF forecasts using the Model Evaluation Tools (MET) verification package. In addition, the National Centers for Environmental Prediction's Stage IV precipitation data will be used to validate the WRF precipitation forecasts. The author will summarize the relative skill of the various WRF configurations and how each configuration behaves relative to the others, as well as determine the best model configuration for each space launch range.
Recursive Branching Simulated Annealing Algorithm
NASA Technical Reports Server (NTRS)
Bolcar, Matthew; Smith, J. Scott; Aronstein, David
2012-01-01
This innovation is a variation of a simulated-annealing optimization algorithm that uses a recursive-branching structure to parallelize the search of a parameter space for the globally optimal solution to an objective. The algorithm has been demonstrated to be more effective at searching a parameter space than traditional simulated-annealing methods for a particular problem of interest, and it can readily be applied to a wide variety of optimization problems, including those with a parameter space having both discrete-value parameters (combinatorial) and continuous-variable parameters. It can take the place of a conventional simulated- annealing, Monte-Carlo, or random- walk algorithm. In a conventional simulated-annealing (SA) algorithm, a starting configuration is randomly selected within the parameter space. The algorithm randomly selects another configuration from the parameter space and evaluates the objective function for that configuration. If the objective function value is better than the previous value, the new configuration is adopted as the new point of interest in the parameter space. If the objective function value is worse than the previous value, the new configuration may be adopted, with a probability determined by a temperature parameter, used in analogy to annealing in metals. As the optimization continues, the region of the parameter space from which new configurations can be selected shrinks, and in conjunction with lowering the annealing temperature (and thus lowering the probability for adopting configurations in parameter space with worse objective functions), the algorithm can converge on the globally optimal configuration. The Recursive Branching Simulated Annealing (RBSA) algorithm shares some features with the SA algorithm, notably including the basic principles that a starting configuration is randomly selected from within the parameter space, the algorithm tests other configurations with the goal of finding the globally optimal solution, and the region from which new configurations can be selected shrinks as the search continues. The key difference between these algorithms is that in the SA algorithm, a single path, or trajectory, is taken in parameter space, from the starting point to the globally optimal solution, while in the RBSA algorithm, many trajectories are taken; by exploring multiple regions of the parameter space simultaneously, the algorithm has been shown to converge on the globally optimal solution about an order of magnitude faster than when using conventional algorithms. Novel features of the RBSA algorithm include: 1. More efficient searching of the parameter space due to the branching structure, in which multiple random configurations are generated and multiple promising regions of the parameter space are explored; 2. The implementation of a trust region for each parameter in the parameter space, which provides a natural way of enforcing upper- and lower-bound constraints on the parameters; and 3. The optional use of a constrained gradient- search optimization, performed on the continuous variables around each branch s configuration in parameter space to improve search efficiency by allowing for fast fine-tuning of the continuous variables within the trust region at that configuration point.
New schemes for internally contracted multi-reference configuration interaction
NASA Astrophysics Data System (ADS)
Wang, Yubin; Han, Huixian; Lei, Yibo; Suo, Bingbing; Zhu, Haiyan; Song, Qi; Wen, Zhenyi
2014-10-01
In this work we present a new internally contracted multi-reference configuration interaction (MRCI) scheme by applying the graphical unitary group approach and the hole-particle symmetry. The latter allows a Distinct Row Table (DRT) to split into a number of sub-DRTs in the active space. In the new scheme a contraction is defined as a linear combination of arcs within a sub-DRT, and connected to the head and tail of the DRT through up-steps and down-steps to generate internally contracted configuration functions. The new scheme deals with the closed-shell (hole) orbitals and external orbitals in the same manner and thus greatly simplifies calculations of coupling coefficients and CI matrix elements. As a result, the number of internal orbitals is no longer a bottleneck of MRCI calculations. The validity and efficiency of the new ic-MRCI code are tested by comparing with the corresponding WK code of the MOLPRO package. The energies obtained from the two codes are essentially identical, and the computational efficiencies of the two codes have their own advantages.
Space construction system analysis. Part 2: Platform definition
NASA Technical Reports Server (NTRS)
Hart, R. J.; Myers, H. L.; Abramson, R. D.; Dejong, P. N.; Donavan, R. D.; Greenberg, H. S.; Indrikis, J.; Jandrasi, J. S.; Manoff, M.; Mcbaine, C. K.
1980-01-01
The top level system requirements are summarized and the accompanying conceptual design for an engineering and technology verification platform (ETVP) system is presented. An encompassing statement of the system objectives which drive the system requirements is presented and the major mission and subsystem requirements are described with emphasis on the advanced communications technology mission payload. The platform design is defined and used as a reference configuration for an end to space construction analyses. The preferred construction methods and processes, the important interactions between the platform design and the construction system design and operation, and the technology development efforts required to support the design and space construction of the ETVP are outlined.
Mobile Router Technology Development
NASA Technical Reports Server (NTRS)
Ivancic, William D.; Stewart, David H.; Bell, Terry L.; Kachmar, Brian A.; Shell, Dan; Leung, Kent
2002-01-01
Cisco Systems and NASA have been performing joint research on mobile routing technology under a NASA Space Act Agreement. Cisco developed mobile router technology and provided that technology to NASA for applications to aeronautic and space-based missions. NASA has performed stringent performance testing of the mobile router, including the interaction of routing and transport-level protocols. This paper describes mobile routing, the mobile router, and some key configuration parameters. In addition, the paper describes the mobile routing test network and test results documenting the performance of transport protocols in dynamic routing environments.
Space and energy conservation housing prototype unit development
NASA Technical Reports Server (NTRS)
Sunshine, D. R.
1975-01-01
Construction plans are discussed for a house which will demonstrate the application of advanced technology to minimize energy requirements and to help direct further development in home construction by defining the interaction of integrated energy and water systems with building configuration and construction materials. Housing unit designs are provided and procedures for the analysis of a variety of housing strategies are developed.
Engineering Low Dimensional Materials with van der Waals Interaction
NASA Astrophysics Data System (ADS)
Jin, Chenhao
Two-dimensional van der Waals materials grow into a hot and big field in condensed matter physics in the past decade. One particularly intriguing thing is the possibility to stack different layers together as one wish, like playing a Lego game, which can create artificial structures that do not exist in nature. These new structures can enable rich new physics from interlayer interaction: The interaction is strong, because in low-dimension materials electrons are exposed to the interface and are susceptible to other layers; and the screening of interaction is less prominent. The consequence is rich, not only from the extensive list of two-dimensional materials available nowadays, but also from the freedom of interlayer configuration, such as displacement and twist angle, which creates a gigantic parameter space to play with. On the other hand, however, the huge parameter space sometimes can make it challenging to describe consistently with a single picture. For example, the large periodicity or even incommensurability in van der Waals systems creates difficulty in using periodic boundary condition. Worse still, the huge superlattice unit cell and overwhelming computational efforts involved to some extent prevent the establishment of a simple physical picture to understand the evolution of system properties in the parameter space of interlayer configuration. In the first part of the dissertation, I will focus on classification of the huge parameter space into subspaces, and introduce suitable theoretical approaches for each subspace. For each approach, I will discuss its validity, limitation, general solution, as well as a specific example of application demonstrating how one can obtain the most important effects of interlayer interaction with little computation efforts. Combining all the approaches introduced will provide an analytic solution to cover majority of the parameter space, which will be very helpful in understanding the intuitive physical picture behind the consequence of interlayer interaction, as well as its systematic evolution in the parameter space. Experimentally, optical spectroscopy is a powerful tool to investigate properties of materials, owing to its insusceptibility to extrinsic effects like defects, capability of obtaining information in large spectral range, and the sensitivity to not only density of states but also wavefunction through transition matrix element. Following the classification of interlayer interaction, I will present optical spectroscopy studies of three van der Waals systems: Two-dimensional few layer phosphorene, one-dimensional double-walled nanotubes, and two-dimensional graphene/hexagonal Boron Nitride heterostructure. Experimental results exhibit rich and distinctively different effects of interlayer interaction in these systems, as a demonstration of the colorful physics from the large parameter space. On the other hand, all these cases can be well-described by the methods developed in the theory part, which explains experimental results quantitatively through only a few parameters each with clear physical meaning. Therefore, the formalism given here, both from theoretical and experimental aspects, offers a generally useful methodology to study, understand and design van der Waals materials for both fascinating physics and novel applications.
Relational evolution of effectively interacting group field theory quantum gravity condensates
NASA Astrophysics Data System (ADS)
Pithis, Andreas G. A.; Sakellariadou, Mairi
2017-03-01
We study the impact of effective interactions onto relationally evolving group field theory (GFT) condensates based on real-valued fields. In a first step we show that a free condensate configuration in an isotropic restriction settles dynamically into a low-spin configuration of the quantum geometry. This goes hand in hand with the accelerated and exponential expansion of its volume, as well as the vanishing of its relative uncertainty which suggests the classicalization of the quantum geometry. The dynamics of the emergent space can then be given in terms of the classical Friedmann equations. In contrast to models based on complex-valued fields, solutions avoiding the singularity problem can only be found if the initial conditions are appropriately chosen. We then turn to the analysis of the influence of effective interactions on the dynamics by studying in particular the Thomas-Fermi regime. In this context, at the cost of fine-tuning, an epoch of inflationary expansion of quantum geometric origin can be implemented. Finally, and for the first time, we study anisotropic GFT condensate configurations and show that such systems tend to isotropize quickly as the value of the relational clock grows. This paves the way to a more systematic investigation of anisotropies in the context of GFT condensate cosmology.
Aerothermodynamic measurements for space shuttle configuration in hypersonic wind tunnels
NASA Technical Reports Server (NTRS)
Bertin, J. J.; Williams, F. E.; Baker, R. C.; Goodrich, W. D.; Kessler, W. C.
1972-01-01
The effect of shuttle configuration geometry, angle of attack, and free stream flow conditions on the heat-transfer distribution as influenced by three-dimensional effects, the wing-fuselage shock-interaction, and resultant wing-impingement phenomena are examined. In addition, the data provided information regarding the flow field in the vicinity of the nose and boundary layer transition in the plane of symmetry of the fuselage. The data included measurements of the surface pressure, the heat transfer rate distributions, (using models instrumented with thermocouples and models painted with thermographic phosphor) and schlieren and shadowgraph photographs. Posttest photographs of the painted models supplemented the heat transfer data.
NASA Technical Reports Server (NTRS)
Thuemmel, Helmar T.; Huo, Winifred M.; Langhoff, Stephen R. (Technical Monitor)
1995-01-01
For the calculation of electron molecule collision cross sections R-matrix methods automatically take advantage of the division of configuration space into an inner region (I) bounded by radius tau b, where the scattered electron is within the molecular charge cloud and the system is described by an correlated Configuration Interaction (CI) treatment in close analogy to bound state calculations, and an outer region (II) where the scattered electron moves in the long-range multipole potential of the target and efficient analytic methods can be used for solving the asymptotic Schroedinger equation plus boundary conditions.
Calculations of long-range three-body interactions for He(n0λS )-He(n0λS )-He(n0'λL )
NASA Astrophysics Data System (ADS)
Yan, Pei-Gen; Tang, Li-Yan; Yan, Zong-Chao; Babb, James F.
2018-04-01
We theoretically investigate long-range interactions between an excited L -state He atom and two identical S -state He atoms for the cases of the three atoms all in spin-singlet states or all in spin-triplet states, denoted by He(n0λS )-He(n0λS )-He(n0'λL ), with n0 and n0' principal quantum numbers, λ =1 or 3 the spin multiplicity, and L the orbital angular momentum of a He atom. Using degenerate perturbation theory for the energies up to second-order, we evaluate the coefficients C3 of the first-order dipolar interactions and the coefficients C6 and C8 of the second-order additive and nonadditive interactions. Both the dipolar and dispersion interaction coefficients, for these three-body degenerate systems, show dependences on the geometrical configurations of the three atoms. The nonadditive interactions start to appear in second-order. To demonstrate the results and for applications, the obtained coefficients Cn are evaluated with highly accurate variationally generated nonrelativistic wave functions in Hylleraas coordinates for He(1 1S ) -He(1 1S ) -He(2 1S ) , He(1 1S ) -He(1 1S ) -He(2 1P ) , He(2 1S ) -He(2 1S ) -He(2 1P ) , and He(2 3S ) -He(2 3S ) -He(2 3P ) . The calculations are given for three like nuclei for the cases of hypothetical infinite mass He nuclei, and of real finite mass 4He or 3He nuclei. The special cases of the three atoms in equilateral triangle configurations are explored in detail, and for the cases in which one of the atoms is in a P state, we also present results for the atoms in an isosceles right triangle configuration or in an equally spaced collinear configuration. The results can be applied to construct potential energy surfaces for three helium atom systems.
Hydrodynamic Stability Analysis of Multi-jet Effects in Swirling Jet Combustors
NASA Astrophysics Data System (ADS)
Emerson, Benjamin; Lieuwen, Tim
2016-11-01
Many practical combustion devices use multiple swirling jets to stabilize flames. However, much of the understanding of swirling jet dynamics has been generated from experimental and computational studies of single reacting, swirling jets. A smaller body of literature has begun to explore the effects of multi-jet systems and the role of jet-jet interactions on the macro-system dynamics. This work uses local temporal and spatio-temporal stability analyses to isolate the hydrodynamic interactions of multiple reacting, swirling jets, characterized by jet diameter, D, and spacing, L. The results first identify the familiar helical modes in the single jet. Comparison to the multi-jet configuration reveals these same familiar modes simultaneously oscillating in each of the jets. Jet-jet interaction is mostly limited to a spatial synchronization of each jet's oscillations at the jet spacing values analyzed here (L/D =3.5). The presence of multiple jets vs a single jet has little influence on the temporal and absolute growth rates. The biggest difference between the single and multi-jet configurations is the presence of nearly degenerate pairs of hydrodynamic modes in the multi-jet case, with one mode dominated by oscillations in the inner jet, and the other in the outer jets. The close similarity between the single and multi-jet hydrodynamics lends insight into experiments from our group.
Space construction system analysis study: Project systems and missions descriptions
NASA Technical Reports Server (NTRS)
1979-01-01
Three project systems are defined and summarized. The systems are: (1) a Solar Power Satellite (SPS) Development Flight Test Vehicle configured for fabrication and compatible with solar electric propulsion orbit transfer; (2) an Advanced Communications Platform configured for space fabrication and compatible with low thrust chemical orbit transfer propulsion; and (3) the same Platform, configured to be space erectable but still compatible with low thrust chemical orbit transfer propulsion. These project systems are intended to serve as configuration models for use in detailed analyses of space construction techniques and processes. They represent feasible concepts for real projects; real in the sense that they are realistic contenders on the list of candidate missions currently projected for the national space program. Thus, they represent reasonable configurations upon which to base early studies of alternative space construction processes.
NASA Technical Reports Server (NTRS)
Jarrett, T. W.
1972-01-01
Various space shuttle ascent configurations were tested in a trisonic wind tunnel to determine the aerodynamic characteristics. The ascent configuration consisted of a NASA/MSC 040 orbiter in combination with various HO centerline tank and booster geometries. The aerodynamic interference between components of the space shuttle and the effect on the orbiter aerodynamics was determined. The various aerodynamic configurations tested were: (1) centerline HO tanks T1 and T2, (2) centerline HO tank T3, and (3) centerline HO tank H4.
Space nuclear power system and the design of the nuclear electric propulsion OTV
NASA Technical Reports Server (NTRS)
Buden, D.; Garrison, P. W.
1984-01-01
Payload increases of three to five times that of the Shuttle/Centaur can be achieved using nuclear electric propulsion. Various nuclear power plant options being pursued by the SP-100 Program are described. These concepts can grow from 100 kWe to 1 MWe output. Spacecraft design aspects are addressed, including thermal interactions, plume interactions, and radiation fluences. A baseline configuration is described accounting for these issues. Safety aspects of starting the OTV transfer from an altitude of 300 km indicate no significant additional risk to the biosphere.
NASA Astrophysics Data System (ADS)
Caprio, Mark A.; McCoy, Anna E.; Dytrych, Tomas
2017-09-01
Rotational band structure is readily apparent as an emergent phenomenon in ab initio nuclear many-body calculations of light nuclei, despite the incompletely converged nature of most such calculations at present. Nuclear rotation in light nuclei can be analyzed in terms of approximate dynamical symmetries of the nuclear many-body problem: in particular, Elliott's SU (3) symmetry of the three-dimensional harmonic oscillator and the symplectic Sp (3 , R) symmetry of three-dimensional phase space. Calculations for rotational band members in the ab initio symplectic no-core configuration interaction (SpNCCI) framework allow us to directly examine the SU (3) and Sp (3 , R) nature of rotational states. We present results for rotational bands in p-shell nuclei. Supported by the US DOE under Award No. DE-FG02-95ER-40934 and the Czech Science Foundation under Grant No. 16-16772S.
Accelerating Full Configuration Interaction Calculations for Nuclear Structure
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yang, Chao; Sternberg, Philip; Maris, Pieter
2008-04-14
One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and correspondingeigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI codemore » MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions.« less
Growth of GaAs crystals from the melt in a partially confined configuration
NASA Technical Reports Server (NTRS)
Gatos, Harry C.; Lagowski, Jacek
1988-01-01
The experimental approach was directed along two main goals: (1) the implementation of an approach to melt growth in a partially confined configuration; and (2) the investigation of point defect interaction and electronic characteristics as related to thermal treatment following solidification and stoichiometry. Significant progress was made along both fronts. Crystal growth of GaAs in triangular ampuls was already carried out successfully and consistent with the model. In fact, pronounced surface tension phenomena which cannot be observed in ordinary confinement system were identified and should premit the assessment of Maragoni effects prior to space processing. Regarding thermal treatment, it was discovered that the rate of cooling from elevated temperatures is primarily responsible for a whole class of defect interactions affecting the electronic characteristics of GaAs and that stoichiometry plays a critical role in the quality of GaAs.
NASA Technical Reports Server (NTRS)
1972-01-01
The results of the space station data flow study are reported. Conceived is a low cost interactive data dissemination system for space station experiment data that includes facility and personnel requirements and locations, phasing requirements and implementation costs. Each of the experiments identified by the operating schedule is analyzed and the support characteristics identified in order to determine data characteristics. Qualitative and quantitative comparison of candidate concepts resulted in a proposed data system configuration baseline concept that includes a data center which combines the responsibility of reprocessing, archiving, and user services according to the various agencies and their responsibility assignments. The primary source of data is the space station complex which provides through the Tracking Data Relay Satellite System (TDRS) and by space shuttle delivery data from experiments in free flying modules and orbiting shuttles as well as from the experiments in the modular space station itself.
Geometric decompositions of collective motion
NASA Astrophysics Data System (ADS)
Mischiati, Matteo; Krishnaprasad, P. S.
2017-04-01
Collective motion in nature is a captivating phenomenon. Revealing the underlying mechanisms, which are of biological and theoretical interest, will require empirical data, modelling and analysis techniques. Here, we contribute a geometric viewpoint, yielding a novel method of analysing movement. Snapshots of collective motion are portrayed as tangent vectors on configuration space, with length determined by the total kinetic energy. Using the geometry of fibre bundles and connections, this portrait is split into orthogonal components each tangential to a lower dimensional manifold derived from configuration space. The resulting decomposition, when interleaved with classical shape space construction, is categorized into a family of kinematic modes-including rigid translations, rigid rotations, inertia tensor transformations, expansions and compressions. Snapshots of empirical data from natural collectives can be allocated to these modes and weighted by fractions of total kinetic energy. Such quantitative measures can provide insight into the variation of the driving goals of a collective, as illustrated by applying these methods to a publicly available dataset of pigeon flocking. The geometric framework may also be profitably employed in the control of artificial systems of interacting agents such as robots.
Geometric decompositions of collective motion
Krishnaprasad, P. S.
2017-01-01
Collective motion in nature is a captivating phenomenon. Revealing the underlying mechanisms, which are of biological and theoretical interest, will require empirical data, modelling and analysis techniques. Here, we contribute a geometric viewpoint, yielding a novel method of analysing movement. Snapshots of collective motion are portrayed as tangent vectors on configuration space, with length determined by the total kinetic energy. Using the geometry of fibre bundles and connections, this portrait is split into orthogonal components each tangential to a lower dimensional manifold derived from configuration space. The resulting decomposition, when interleaved with classical shape space construction, is categorized into a family of kinematic modes—including rigid translations, rigid rotations, inertia tensor transformations, expansions and compressions. Snapshots of empirical data from natural collectives can be allocated to these modes and weighted by fractions of total kinetic energy. Such quantitative measures can provide insight into the variation of the driving goals of a collective, as illustrated by applying these methods to a publicly available dataset of pigeon flocking. The geometric framework may also be profitably employed in the control of artificial systems of interacting agents such as robots. PMID:28484319
Lu, Chao; Li, Xubin; Wu, Dongsheng; Zheng, Lianqing; Yang, Wei
2016-01-12
In aqueous solution, solute conformational transitions are governed by intimate interplays of the fluctuations of solute-solute, solute-water, and water-water interactions. To promote molecular fluctuations to enhance sampling of essential conformational changes, a common strategy is to construct an expanded Hamiltonian through a series of Hamiltonian perturbations and thereby broaden the distribution of certain interactions of focus. Due to a lack of active sampling of configuration response to Hamiltonian transitions, it is challenging for common expanded Hamiltonian methods to robustly explore solvent mediated rare conformational events. The orthogonal space sampling (OSS) scheme, as exemplified by the orthogonal space random walk and orthogonal space tempering methods, provides a general framework for synchronous acceleration of slow configuration responses. To more effectively sample conformational transitions in aqueous solution, in this work, we devised a generalized orthogonal space tempering (gOST) algorithm. Specifically, in the Hamiltonian perturbation part, a solvent-accessible-surface-area-dependent term is introduced to implicitly perturb near-solute water-water fluctuations; more importantly in the orthogonal space response part, the generalized force order parameter is generalized as a two-dimension order parameter set, in which essential solute-solvent and solute-solute components are separately treated. The gOST algorithm is evaluated through a molecular dynamics simulation study on the explicitly solvated deca-alanine (Ala10) peptide. On the basis of a fully automated sampling protocol, the gOST simulation enabled repetitive folding and unfolding of the solvated peptide within a single continuous trajectory and allowed for detailed constructions of Ala10 folding/unfolding free energy surfaces. The gOST result reveals that solvent cooperative fluctuations play a pivotal role in Ala10 folding/unfolding transitions. In addition, our assessment analysis suggests that because essential conformational events are mainly driven by the compensating fluctuations of essential solute-solvent and solute-solute interactions, commonly employed "predictive" sampling methods are unlikely to be effective on this seemingly "simple" system. The gOST development presented in this paper illustrates how to employ the OSS scheme for physics-based sampling method designs.
NASA Astrophysics Data System (ADS)
Hienz, Robert D.; Brady, Joseph V.; Hursh, Steven R.; Banner, Michele J.; Gasior, Eric D.; Spence, Kevin R.
2007-02-01
Previous research with groups of individually isolated crews communicating and problem-solving in a distributed interactive simulation environment has shown that the functional interchangeability of available communication channels can serve as an effective countermeasure to communication constraints. The present report extends these findings by investigating crew performance effects and psychosocial adaptation following: (1) the loss of all communication channels, and (2) changes in crew configuration. Three-person crews participated in a simulated planetary exploration mission that required identification, collection, and analysis of geologic samples. Results showed that crews developed and employed discrete navigation system operations that served as functionally effective communication signals (i.e., “indexical” or “deictic” cues) in generating appropriate crewmember responses and maintaining performance effectiveness in the absence of normal communication channels. Additionally, changes in crew configuration impacted both performance effectiveness and psychosocial adaptation.
NASA Technical Reports Server (NTRS)
Hicks, Yolanda R.; Tacina, Kathleen M.; Anderson, Robert C.
2017-01-01
Studies of various injector configurations in a 7-point Lean Direct Injector (LDI) array are reported for both non-reacting (cold) flow and for Jet-A/air reacting flows. For cold flow, central recirculation zone (CRZ) formation is investigated and for reacting flows, combustor operability and dynamics are of interest. 2D Particle Image Velocimetry (PIV) measurements are described for the cold flow experiments and flame chemiluminescence imaging and dynamic pressure results are discussed for the reacting flow cases. PIV results indicate that for this configuration the close spacing between swirler elements leads to strong interaction that affects whether a CRZ forms, and pilot recess and counter-swirl helps to isolate swirlers from one another. Dynamics results focus on features identified near 500-Hz.
Antimatter. (Latest citations from the INSPEC database). Published Search
DOE Office of Scientific and Technical Information (OSTI.GOV)
NONE
1996-01-01
The bibliography contains citations concerning physical theory, testing, and practical applications of antimatter. Related nuclear phenomena, matter-antimatter interactions, relativity, antigravity, formation of the universe, and space-time configurations are described. The roles of cosmic rays, black holes, antiprotons, and positrons are discussed. Antimatter propulsion spacecraft are briefly cited. (Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)
Antimatter. (Latest citations from the INSPEC database). Published Search
DOE Office of Scientific and Technical Information (OSTI.GOV)
Not Available
1994-12-01
The bibliography contains citations concerning physical theory, testing, and practical applications of antimatter. Related nuclear phenomena, matter-antimatter interactions, relativity, antigravity, formation of the universe, and space-time configurations are described. The roles of cosmic rays, black holes, antiprotons, and positrons are discussed. Antimatter propulsion spacecraft are briefly cited. (Contains a minimum of 182 citations and includes a subject term index and title list.)
Nucleon-nucleon scattering from fully dynamical lattice QCD.
Beane, S R; Bedaque, P F; Orginos, K; Savage, M J
2006-07-07
We present results of the first fully dynamical lattice QCD determination of nucleon-nucleon scattering lengths in the 1S0 channel and 3S1 - 3D1 coupled channels. The calculations are performed with domain-wall valence quarks on the MILC staggered configurations with a lattice spacing of b = 0.125 fm in the isospin-symmetric limit, and in the absence of electromagnetic interactions.
Quasi-isotropic VHF antenna array design study for the International Ultraviolet Explorer satellite
NASA Technical Reports Server (NTRS)
Raines, J. K.
1975-01-01
Results of a study to design a quasi-isotropic VHF antenna array for the IUE satellite are presented. A free space configuration was obtained that has no nulls deeper than -6.4 dbi in each of two orthogonal polarizations. A computer program named SOAP that analyzes the electromagnetic interaction between antennas and complicated conducting bodies, such as satellites was developed.
Benefits from synergies and advanced technologies for an advanced-technology space station
NASA Technical Reports Server (NTRS)
Garrett, L. Bernard; Ferebee, Melvin J., Jr.; Queijo, Manuel J.; Butterfield, Ansel J.
1991-01-01
A configuration for a second-generation advanced technology space station has been defined in a series of NASA-sponsored studies. Definitions of subsystems specifically addressed opportunities for beneficial synergistic interactions and those potential synergies and their benefits are identified. One of the more significant synergistic benefits involves the multi-function utilization of water within a large system that generates artificial gravity by rotation. In such a system, water not only provides the necessary crew life support, but also serves as counterrotator mass, as moveable ballast, and as a source for propellant gases. Additionally, the synergistic effects between advanced technology materials, operation at reduced artificial gravity, and lower cabin atmospheric pressure levels show beneficial interactions that can be quantified in terms of reduced mass to orbit.
Browsing Space Weather Data and Models with the Integrated Space Weather Analysis (iSWA) System
NASA Technical Reports Server (NTRS)
Maddox, Marlo M.; Mullinix, Richard E.; Berrios, David H.; Hesse, Michael; Rastaetter, Lutz; Pulkkinen, Antti; Hourcle, Joseph A.; Thompson, Barbara J.
2011-01-01
The Integrated Space Weather Analysis (iSWA) System is a comprehensive web-based platform for space weather information that combines data from solar, heliospheric and geospace observatories with forecasts based on the most advanced space weather models. The iSWA system collects, generates, and presents a wide array of space weather resources in an intuitive, user-configurable, and adaptable format - thus enabling users to respond to current and future space weather impacts as well as enabling post-impact analysis. iSWA currently provides over 200 data and modeling products, and features a variety of tools that allow the user to browse, combine, and examine data and models from various sources. This presentation will consist of a summary of the iSWA products and an overview of the customizable user interfaces, and will feature several tutorial demonstrations highlighting the interactive tools and advanced capabilities.
Spacewire router IP-core with priority adaptive routing
NASA Astrophysics Data System (ADS)
Shakhmatov, A. V.; Chekmarev, S. A.; Vergasov, M. Y.; Khanov, V. Kh
2015-10-01
Design of modern spacecraft focuses on using network principles of interaction on-board equipment, in particular in network SpaceWire. Routers are an integral part of most SpaceWire networks. The paper presents an adaptive routing algorithm with a prioritization, allowing more flexibility to manage the routing process. This algorithm is designed to transmit SpaceWire packets over a redundant network. Also a method is proposed for rapid restoration of working capacity after power by saving the routing table and the router configuration in an external non-volatile memory. The proposed solutions used to create IP-core router, and then tested in the FPGA device. The results illustrate the realizability and rationality of the proposed solutions.
NASA Astrophysics Data System (ADS)
Meier, Patrick; Oschetzki, Dominik; Pfeiffer, Florian; Rauhut, Guntram
2015-12-01
Resonating vibrational states cannot consistently be described by single-reference vibrational self-consistent field methods but request the use of multiconfigurational approaches. Strategies are presented to accelerate vibrational multiconfiguration self-consistent field theory and subsequent multireference configuration interaction calculations in order to allow for routine calculations at this enhanced level of theory. State-averaged vibrational complete active space self-consistent field calculations using mode-specific and state-tailored active spaces were found to be very fast and superior to state-specific calculations or calculations with a uniform active space. Benchmark calculations are presented for trans-diazene and bromoform, which show strong resonances in their vibrational spectra.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Meier, Patrick; Oschetzki, Dominik; Pfeiffer, Florian
Resonating vibrational states cannot consistently be described by single-reference vibrational self-consistent field methods but request the use of multiconfigurational approaches. Strategies are presented to accelerate vibrational multiconfiguration self-consistent field theory and subsequent multireference configuration interaction calculations in order to allow for routine calculations at this enhanced level of theory. State-averaged vibrational complete active space self-consistent field calculations using mode-specific and state-tailored active spaces were found to be very fast and superior to state-specific calculations or calculations with a uniform active space. Benchmark calculations are presented for trans-diazene and bromoform, which show strong resonances in their vibrational spectra.
Laser Atmospheric Wind Sounder (LAWS) phase 1. Volume 2
NASA Technical Reports Server (NTRS)
1990-01-01
This report summarizes and documents the results of the 12-month phase 1 work effort. The objective of phase 1 was to establish the conceptional definition of the laser atmospheric wind sounder (LAWS) sensor system, including accommodations analyses to ensure compatibility with the Space Station Freedom (SSF) and the Earth Observing System (EOS) Polar Orbiting Platform (POP). Various concepts were investigated with trade studies performed to select the configuration to be carried forward to the phase 2 Preliminary Design Definition. A summary of the LAWS system and subsystem trade studies that were performed leading to the baseline design configuration is presented in the appendix. The overall objective of the LAWS Project is to define, design, and implement an operational space based facility, LAWS, for accurate measurement of Earth wind profiles. Phase 1 addressed three major areas: (1) requirements definition; (2) instrument concepts and configurations; and (3) performance analysis. For the LAWS instrument concepts and configurations, the issues which press the technological state of the art are reliable detector lifetime and laser performance and lifetime. Lag angle compensation, pointing accuracy, satellite navigation, and telescope design are significant technical issues, but they are considered to be currently state of the art. The primary issues for performance analysis concern interaction with the atmosphere in terms of backscatter and attenuation, wind variance, and cloud blockage. The phase 1 tasks were formulated to address these significant technical issues and demonstrate the technical feasibility of the LAWS concept. Primary emphasis was placed on analysis/trade and identification of candidate concepts. Promising configurations were evaluated for performance, sensitivities, risks, and budgetary costs. Lockheed's baseline LAWS configuration is presented.
Multiconfiguration Dirac-Hartree-Fock calculations of energy levels and radiative rates of Fe VII
NASA Astrophysics Data System (ADS)
Li, Yang; Xu, Xiaokai; Li, Bowen; Jönsson, Per; Chen, Ximeng
2018-06-01
Detailed calculations are performed for 134 fine-structure levels of the 3p63d2, 3p63d4s, 3p53d3 and 3p63d4p configurations in Fe VII using the multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods. Important electron correlation effects are systematically accounted for through active space (AS) expansions. Our results compare well with experimental measurements, emphasizing the importance of a careful treatment of electron correlation, and provide some missing data in the NIST atomic database. The data obtained are expected to be useful in astrophysical applications, particularly for the research of the solar coronal plasma.
Long-range interacting systems in the unconstrained ensemble.
Latella, Ivan; Pérez-Madrid, Agustín; Campa, Alessandro; Casetti, Lapo; Ruffo, Stefano
2017-01-01
Completely open systems can exchange heat, work, and matter with the environment. While energy, volume, and number of particles fluctuate under completely open conditions, the equilibrium states of the system, if they exist, can be specified using the temperature, pressure, and chemical potential as control parameters. The unconstrained ensemble is the statistical ensemble describing completely open systems and the replica energy is the appropriate free energy for these control parameters from which the thermodynamics must be derived. It turns out that macroscopic systems with short-range interactions cannot attain equilibrium configurations in the unconstrained ensemble, since temperature, pressure, and chemical potential cannot be taken as a set of independent variables in this case. In contrast, we show that systems with long-range interactions can reach states of thermodynamic equilibrium in the unconstrained ensemble. To illustrate this fact, we consider a modification of the Thirring model and compare the unconstrained ensemble with the canonical and grand-canonical ones: The more the ensemble is constrained by fixing the volume or number of particles, the larger the space of parameters defining the equilibrium configurations.
NASA Astrophysics Data System (ADS)
Ding, Xiaobin; Sun, Rui; Koike, Fumihiro; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Dong, Chenzhong
2017-03-01
The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]3s23p63d2 and first excited states [Ne]3s23p53d3 of W54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W54+ ion. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.
NASA Astrophysics Data System (ADS)
Eremin, Roman; Zolotarev, Pavel; Bobrikov, Ivan
2018-04-01
Here we present results of density functional theory (DFT) study of delithiated structures of layered LiNiO2 (LNO, Li12Ni12O24 model) cathode material and its doped analogue LiNi0.833Co0.083Al0.083O2 (N10C1A1, Li12Ni10CoAlO24 model). The paper is aimed at independent elucidation of doping and dispersion interaction effects on the structural stability of cathode materials studied. For this purpose, the LNO and N10C1A1 configurational spaces consisting of 87 and 4512 crystallographically independent configurations (obtained starting from 2×2×1 supercell of R-3m structure of LNO) are optimized within a number of DFT models. Based on a comparison of the calculated dependencies for the lattice parameters with the results of in situ neutron diffraction experiments, the most pronounced effect of cathode material stabilization is due to the dispersion interaction. In turn, the doping effect is found to affect cathode structure behavior at the latest stages of delithiation only.
NASA Astrophysics Data System (ADS)
Willems, Sebastian; Esser, Burkard; Gülhan, Ali
2015-12-01
A detailed knowledge of the fluid-structure interaction in hypersonic flows is important for the design of future space transportation systems. The thermal aspect of such an interaction was investigated with the help of a generic model in the arc-heated wind tunnel L3K at the German Aerospace Center in Cologne. Flat and curved panels of the fibre-reinforced ceramics C/C-SiC with and without anti-oxidation coating where used. Several configurations with and without back plane insulation were tested at 10° and 20° angle of attack. The panel heating was measured with an infrared camera, several thermocouples and pyrometers. The experimental results show the influence of the shape as well as of radiation cooling and radiation heating. The experiments also reveal the effect of additional heating due to recombination of atomic oxygen on the surface. At certain configurations a local temperature peak moved over the panel. This thermal wave is also influenced by the silicon carbide coating. The analysis is supported by coupled fluid and structure simulations.
Space transportation booster engine configuration study. Volume 1: Executive Summary
NASA Technical Reports Server (NTRS)
1989-01-01
The objective of the Space Transportation Booster Engine (STBE) Configuration Study is to contribute to the Advanced Launch System (ALS) development effort by providing highly reliable, low cost booster engine concepts for both expendable and reusable rocket engines. The objectives of the Space Transportation Booster Engine (STBE) Configuration Study were to identify engine configurations which enhance vehicle performance and provide operational flexibility at low cost, and to explore innovative approaches to the follow-on full-scale development (FSD) phase for the STBE.
NASA Technical Reports Server (NTRS)
Hulka, James R.; Jones, G. W.
2010-01-01
Liquid rocket engines using oxygen and methane propellants are being considered by the National Aeronautics and Space Administration (NASA) for in-space vehicles. This propellant combination has not been previously used in flight-qualified engine systems, so limited test data and analysis results are available at this stage of early development. NASA has funded several hardware-oriented programs with oxygen and methane propellants over the past several years with the Propulsion and Cryogenic Advanced Development (PCAD) project, under the Exploration Technology Development Program. As part of this effort, NASA Marshall Space Flight Center has conducted combustion, performance, and combustion stability analyses of several of the configurations on these programs. This paper summarizes these analyses. Test and analysis results of impinging and coaxial element injectors using liquid oxygen and liquid methane propellants are included. Several cases with gaseous methane are included for reference. Several different thrust chamber configurations have been modeled, including thrust chambers with multi-element like-on-like and swirl coax element injectors tested at NASA MSFC, and a unielement chamber with shear and swirl coax injectors tested at The Pennsylvania State University. Configurations were modeled with two one-dimensional liquid rocket combustion analysis codes, the Rocket Combustor Interaction Design and Analysis (ROCCID), and the Coaxial Injector Combustion Model (CICM). Significant effort was applied to show how these codes can be used to model combustion and performance with oxygen/methane propellants a priori, and what anchoring or calibrating features need to be applied or developed in the future. This paper describes the test hardware configurations, presents the results of all the analyses, and compares the results from the two analytical methods.
NASA Technical Reports Server (NTRS)
Hulka, J. R.; Jones, G. W.
2010-01-01
Liquid rocket engines using oxygen and methane propellants are being considered by the National Aeronautics and Space Administration (NASA) for in-space vehicles. This propellant combination has not been previously used in a flight-qualified engine system, so limited test data and analysis results are available at this stage of early development. NASA has funded several hardware-oriented activities with oxygen and methane propellants over the past several years with the Propulsion and Cryogenic Advanced Development (PCAD) project, under the Exploration Technology Development Program. As part of this effort, the NASA Marshall Space Flight Center has conducted combustion, performance, and combustion stability analyses of several of the configurations. This paper summarizes the analyses of combustion and performance as a follow-up to a paper published in the 2008 JANNAF/LPS meeting. Combustion stability analyses are presented in a separate paper. The current paper includes test and analysis results of coaxial element injectors using liquid oxygen and liquid methane or gaseous methane propellants. Several thrust chamber configurations have been modeled, including thrust chambers with multi-element swirl coax element injectors tested at the NASA MSFC, and a uni-element chamber with shear and swirl coax injectors tested at The Pennsylvania State University. Configurations were modeled with two one-dimensional liquid rocket combustion analysis codes, the Rocket Combustor Interaction Design and Analysis (ROCCID), and the Coaxial Injector Combustion Model (CICM). Significant effort was applied to show how these codes can be used to model combustion and performance with oxygen/methane propellants a priori, and what anchoring or calibrating features need to be applied or developed in the future. This paper describes the test hardware configurations, presents the results of all the analyses, and compares the results from the two analytical methods
Theoretical characterization of the potential energy surface for NH + NO
NASA Technical Reports Server (NTRS)
Walch, Stephen P.
1993-01-01
The potential energy surface for NH + NO was characterized using complete active space self-consistent field (CASSCF) gradient calculation to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration interaction calculations to refine the energetics. The present results are in qualitative accord with the BAC-MP4 calculations, but there are differences as large as 8 kcal/mol in the detailed energetics.
NASA Technical Reports Server (NTRS)
Mcnulty, J. F.
1974-01-01
An analysis of the history and background of the Mars Project Viking is presented. The organization and functions of the engineering group responsible for the project are defined. The design and configuration of the proposed space vehicle are examined. Illustrations and tables of data are provided to complete the coverage of the project.
Lathlean, Justin A
2014-12-01
For most marine benthic communities unoccupied primary substrata, or free space, is considered the principle limiting resource. Substratum temperatures, desiccation rates and hydrodynamic characteristics of free space, however, may vary depending on patch size and isolation and therefore potentially influence biotic processes. This paper investigates the relationship between small-scale changes in the availability and configuration of free space, heat stress and abundance of the small rocky intertidal gastropod Patelloida latistrigata within southeastern Australia. Using infrared thermography I show that heat stress of rocky intertidal communities increased linearly with increasing amounts of free space on three neighbouring shores during four separate sampling intervals from October 2009 to January 2010. Abundances of P. latistrigata generally declined with increasing availability of free space and the associated increases in heat stress. An experimental manipulation that altered the configuration but not the availability of free space demonstrated that both heat stress and P. latistrigata abundance are not affected by small-scale changes in the configuration of free space. The small-scale distribution of P. latistrigata, however, was significantly influenced by differences in the configuration of free space with limpets displaying bimodal distributions within areas characterised by unevenly distributed free space. Since the distribution of Patelloida varies depending on the configuration of free space but thermal properties at the scale of individual limpets do not then we might expect Patelloida to be responding to changes in other abiotic factors, such as hydrodynamic forces and desiccation rates, which may change with the configuration of free space. This study highlights the dynamic and usually unexamined relationship between abiotic stress and the availability and acquisition of resources by marine benthic invertebrates. Copyright © 2014 Elsevier Ltd. All rights reserved.
Self-consistent Simulation of Microparticle and Ion Wakefield Configuration
NASA Astrophysics Data System (ADS)
Sanford, Dustin; Brooks, Beau; Ellis, Naoki; Matthews, Lorin; Hyde, Truell
2017-10-01
In a complex plasma, positively charged ions often have a directed flow with respect to the negatively charged dust grains. The resulting interaction between the dust and the flowing plasma creates an ion wakefield downstream from the dust particles, with the resulting positive space region modifying the interaction between the grains and contributing to the observed dynamics and equilibrium structure of the system. Here we present a proof of concept method that uses a molecular dynamics simulation to model the ion wakefield allowing the dynamics of the dust particles to be determined self-consistently. The trajectory of each ion is calculated including the forces from all other ions, which are treated as ``Yukawa particles'' and shielded from thermal electrons and the forces of the charged dust particles. Both the dust grain charge and the wakefield structure are also self-consistently determined for various particle configurations. The resultant wakefield potentials are then used to provide dynamic simulations of dust particle pairs. These results will be employed to analyze the formation and dynamics of field-aligned chains in CASPER's PK4 experiment onboard the International Space Station, allowing examination of extended dust chains without the masking force of gravity. This work was supported by the National Science Foundation under Grants PHY-1414523 and PHY-1740203.
NASA Astrophysics Data System (ADS)
Scolari, Vittore F.; Cosentino Lagomarsino, Marco
Recent experimental results suggest that the E. coli chromosome feels a self-attracting interaction of osmotic origin, and is condensed in foci by bridging interactions. Motivated by these findings, we explore a generic modeling framework combining solely these two ingredients, in order to characterize their joint effects. Specifically, we study a simple polymer physics computational model with weak ubiquitous short-ranged self attraction and stronger sparse bridging interactions. Combining theoretical arguments and simulations, we study the general phenomenology of polymer collapse induced by these dual contributions, in the case of regularly-spaced bridging. Our results distinguish a regime of classical Flory-like coil-globule collapse dictated by the interplay of excluded volume and attractive energy and a switch-like collapse where bridging interaction compete with entropy loss terms from the looped arms of a star-like rosette. Additionally, we show that bridging can induce stable compartmentalized domains. In these configurations, different "cores" of bridging proteins are kept separated by star-like polymer loops in an entropically favorable multi-domain configuration, with a mechanism that parallels micellar polysoaps. Such compartmentalized domains are stable, and do not need any intra-specific interactions driving their segregation. Domains can be stable also in presence of uniform attraction, as long as the uniform collapse is above its theta point.
Casanova, David
2012-08-28
The restricted active space spin-flip CI (RASCI-SF) performance is tested in the electronic structure computation of the ground and the lowest electronically excited states in the presence of near-degeneracies. The feasibility of the method is demonstrated by analyzing the avoided crossing between the ionic and neutral singlet states of LiF along the molecular dissociation. The two potential energy surfaces (PESs) are explored by means of the energies of computed adiabatic and approximated diabatic states, dipole moments, and natural orbital electronic occupancies of both states. The RASCI-SF methodology is also used to study the ground and first excited singlet surface crossing involved in the double bond isomerization of ethylene, as a model case. The two-dimensional PESs of the ground (S(0)) and excited (S(1)) states are calculated for the complete configuration space of torsion and pyramidalization molecular distortions. The parameters that define the state energetics in the vicinity of the S(0)/S(1) conical intersection region are compared to complete active space self-consistent field (CASSCF) results. These examples show that it is possible to describe strongly correlated electronic states using a single reference methodology without the need to expand the wavefunction to high levels of collective excitations. Finally, RASCI is also examined in the electronic structure characterization of the ground and 2(1)A(g)(-), 1(1)B(u)(+), 1(1)B(u)(-), and 1(3)B(u)(-) states of all-trans polyenes with two to seven double bonds and beyond. Transition energies are compared to configuration interaction singles, time-dependent density functional theory (TDDFT), CASSCF, and its second-order perturbation correction calculations, and to experimental data. The capability of RASCI-SF to describe the nature and properties of each electronic state is discussed in detail. This example is also used to expose the properties of different truncations of the RASCI wavefunction and to show the possibility to use an excitation operator with any number of α-to-β electronic promotions.
Gao, Yi Qin
2008-04-07
Here, we introduce a simple self-adaptive computational method to enhance the sampling in energy, configuration, and trajectory spaces. The method makes use of two strategies. It first uses a non-Boltzmann distribution method to enhance the sampling in the phase space, in particular, in the configuration space. The application of this method leads to a broad energy distribution in a large energy range and a quickly converged sampling of molecular configurations. In the second stage of simulations, the configuration space of the system is divided into a number of small regions according to preselected collective coordinates. An enhanced sampling of reactive transition paths is then performed in a self-adaptive fashion to accelerate kinetics calculations.
Conceptual design and evaluation of selected Space Station concepts, volume 1
NASA Technical Reports Server (NTRS)
1983-01-01
Space Station configuration concepts are defined to meet the NASA Headquarters Concept Development Group (CDG) requirements. Engineering and programmatic data are produced on these concepts suitable for NASA and industry dissemination. A data base is developed for input to the CDG's evaluation of generic Space Station configurations and for use in the critique of the CDG's generic configuration evaluation process.
Space Operations Analysis Using the Synergistic Engineering Environment
NASA Technical Reports Server (NTRS)
Angster, Scott; Brewer, Laura
2002-01-01
The Synergistic Engineering Environment has been under development at the NASA Langley Research Center to aid in the understanding of the operations of spacecraft. This is accomplished through the integration of multiple data sets, analysis tools, spacecraft geometric models, and a visualization environment to create an interactive virtual simulation of the spacecraft. Initially designed to support the needs of the International Space Station, the SEE has broadened the scope to include spacecraft ranging from low-earth orbit to deep space missions. Analysis capabilities within the SEE include rigid body dynamics, kinematics, orbital mechanics, and payload operations. This provides the user the ability to perform real-time interactive engineering analyses in areas including flight attitudes and maneuvers, visiting vehicle docking scenarios, robotic operations, plume impingement, field of view obscuration, and alternative assembly configurations. The SEE has been used to aid in the understanding of several operational procedures related to the International Space Station. This paper will address the capabilities of the first build of the SEE, present several use cases of the SEE, and discuss the next build of the SEE.
An integrated dexterous robotic testbed for space applications
NASA Technical Reports Server (NTRS)
Li, Larry C.; Nguyen, Hai; Sauer, Edward
1992-01-01
An integrated dexterous robotic system was developed as a testbed to evaluate various robotics technologies for advanced space applications. The system configuration consisted of a Utah/MIT Dexterous Hand, a PUMA 562 arm, a stereo vision system, and a multiprocessing computer control system. In addition to these major subsystems, a proximity sensing system was integrated with the Utah/MIT Hand to provide capability for non-contact sensing of a nearby object. A high-speed fiber-optic link was used to transmit digitized proximity sensor signals back to the multiprocessing control system. The hardware system was designed to satisfy the requirements for both teleoperated and autonomous operations. The software system was designed to exploit parallel processing capability, pursue functional modularity, incorporate artificial intelligence for robot control, allow high-level symbolic robot commands, maximize reusable code, minimize compilation requirements, and provide an interactive application development and debugging environment for the end users. An overview is presented of the system hardware and software configurations, and implementation is discussed of subsystem functions.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Błaszak, Maciej, E-mail: blaszakm@amu.edu.pl; Domański, Ziemowit, E-mail: ziemowit@amu.edu.pl
In the paper is presented an invariant quantization procedure of classical mechanics on the phase space over flat configuration space. Then, the passage to an operator representation of quantum mechanics in a Hilbert space over configuration space is derived. An explicit form of position and momentum operators as well as their appropriate ordering in arbitrary curvilinear coordinates is demonstrated. Finally, the extension of presented formalism onto non-flat case and related ambiguities of the process of quantization are discussed. -- Highlights: •An invariant quantization procedure of classical mechanics on the phase space over flat configuration space is presented. •The passage tomore » an operator representation of quantum mechanics in a Hilbert space over configuration space is derived. •Explicit form of position and momentum operators and their appropriate ordering in curvilinear coordinates is shown. •The invariant form of Hamiltonian operators quadratic and cubic in momenta is derived. •The extension of presented formalism onto non-flat case and related ambiguities of the quantization process are discussed.« less
NASA Technical Reports Server (NTRS)
1989-01-01
The objective of the Space Transportation Booster Engine Configuration Study is to contribute to the ALS development effort by providing highly reliable, low cost booster engine concepts for both expendable and reusable rocket engines. The objectives of the Space Transportation Booster Engine (STBE) Configuration Study were: (1) to identify engine development configurations which enhance vehicle performance and provide operational flexibility at low cost; and (2) to explore innovative approaches to the follow-on Full-Scale Development (FSD) phase for the STBE.
NASA Technical Reports Server (NTRS)
1989-01-01
The objective of the Space Transportation Booster Engine (STBE) Configuration Study is to contribute to the Advanced Launch System (ALS) development effort by providing highly reliable, low cost booster engine concepts for both expendable and reusable rocket engines. The objectives of the space Transportation Booster Engine (STBE) Configuration Study were: (1) to identify engine configurations which enhance vehicle performance and provide operational flexibility at low cost, and (2) to explore innovative approaches to the follow-on Full-Scale Development (FSD) phase for the STBE.
14 CFR 23.1524 - Maximum passenger seating configuration.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Maximum passenger seating configuration. 23.1524 Section 23.1524 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF... Operating Limitations and Information § 23.1524 Maximum passenger seating configuration. The maximum...
Modular space station phase B extension preliminary system design. Volume 5: configuration analyses
NASA Technical Reports Server (NTRS)
Stefan, A. J.; Goble, G. J.
1972-01-01
The initial and growth modular space station configurations are described, and the evolutionary steps arriving at the final configuration are outlined. Supporting tradeoff studies and analyses such as stress, radiation dosage, and micrometeoroid and thermal protection are included.
Development of the Hippocampal Cognitive Map in Pre-weanling Rats
Wills, Tom; Cacucci, Francesca; Burgess, Neil; O’Keefe, John
2011-01-01
Orienting in large-scale space depends on the interaction of environmental experience and pre-configured, possibly innate, constructs. Place, head-direction and grid cells in the hippocampal formation provide allocentric representations of space. Here we show how these cognitive representations emerge and develop as rat pups first begin to explore their environment. Directional, locational and rhythmic organization of firing are present during initial exploration, including adult-like directional firing. The stability and precision of place cell firing continues to develop throughout juvenility. Stable grid cell firing appears later but matures rapidly to adult levels. Our results demonstrate the presence of three neuronal representations of space prior to extensive experience, and show how they develop with age. PMID:20558720
Manual for obscuration code with space station applications
NASA Technical Reports Server (NTRS)
Marhefka, R. J.; Takacs, L.
1986-01-01
The Obscuration Code, referred to as SHADOW, is a user-oriented computer code to determine the case shadow of an antenna in a complex environment onto the far zone sphere. The surrounding structure can be composed of multiple composite cone frustums and multiply sided flat plates. These structural pieces are ideal for modeling space station configurations. The means of describing the geometry input is compatible with the NEC-BASIC Scattering Code. In addition, an interactive mode of operation has been provided for DEC VAX computers. The first part of this document is a user's manual designed to give a description of the method used to obtain the shadow map, to provide an overall view of the operation of the computer code, to instruct a user in how to model structures, and to give examples of inputs and outputs. The second part is a code manual that details how to set up the interactive and non-interactive modes of the code and provides a listing and brief description of each of the subroutines.
Homology groups for particles on one-connected graphs
NASA Astrophysics Data System (ADS)
MaciÄ Żek, Tomasz; Sawicki, Adam
2017-06-01
We present a mathematical framework for describing the topology of configuration spaces for particles on one-connected graphs. In particular, we compute the homology groups over integers for different classes of one-connected graphs. Our approach is based on some fundamental combinatorial properties of the configuration spaces, Mayer-Vietoris sequences for different parts of configuration spaces, and some limited use of discrete Morse theory. As one of the results, we derive the closed-form formulae for ranks of the homology groups for indistinguishable particles on tree graphs. We also give a detailed discussion of the second homology group of the configuration space of both distinguishable and indistinguishable particles. Our motivation is the search for new kinds of quantum statistics.
Free energy landscape of protein-like chains with discontinuous potentials
NASA Astrophysics Data System (ADS)
Movahed, Hanif Bayat; van Zon, Ramses; Schofield, Jeremy
2012-06-01
In this article the configurational space of two simple protein models consisting of polymers composed of a periodic sequence of four different kinds of monomers is studied as a function of temperature. In the protein models, hydrogen bond interactions, electrostatic repulsion, and covalent bond vibrations are modeled by discontinuous step, shoulder, and square-well potentials, respectively. The protein-like chains exhibit a secondary alpha helix structure in their folded states at low temperatures, and allow a natural definition of a configuration by considering which beads are bonded. Free energies and entropies of configurations are computed using the parallel tempering method in combination with hybrid Monte Carlo sampling of the canonical ensemble of the discontinuous potential system. The probability of observing the most common configuration is used to analyze the nature of the free energy landscape, and it is found that the model with the least number of possible bonds exhibits a funnel-like free energy landscape at low enough temperature for chains with fewer than 30 beads. For longer proteins, the free landscape consists of several minima, where the configuration with the lowest free energy changes significantly by lowering the temperature and the probability of observing the most common configuration never approaches one due to the degeneracy of the lowest accessible potential energy.
Control of Dual-Opposed Stirling Convertors with Active Power Factor Correction Controllers
NASA Technical Reports Server (NTRS)
Regan, Timothy F.; Lewandowski, Edward J.; Schreiber, Jeffrey G.
2007-01-01
When using recently-developed active power factor correction (APFC) controllers in power systems comprised of dual-opposed free-piston Stirling convertors, a variety of configurations of the convertors and controller(s) can be considered, with configuration ultimately selected based on benefits of efficiency, reliability, and robust operation. The configuration must not only achieve stable control of the two convertors, but also synchronize and regulate motion of the pistons to minimize net dynamic forces. The NASA Glenn Research Center (GRC) System Dynamic Model (SDM) was used to study ten configurations of dual-opposed convertor systems. These configurations considered one controller with the alternators connected in series or in parallel, and two controllers with the alternators not connected (isolated). For the configurations where the alternators were not connected, several different approaches were evaluated to synchronize the two convertors. In addition, two thermodynamic configurations were considered: two convertors with isolated working spaces and convertors with a shared expansion space. Of the ten configurations studied, stable operating modes were found for four. Three of those four had a common expansion space. One stable configuration was found for the dual-opposed convertors with separate working spaces. That configuration required isochronous control of both convertors, and two APFC controllers were used to accomplish this. A frequency/phase control loop was necessary to allow each APFC controller to synchronize its associated convertor with a common frequency.
Control of Dual-Opposed Stirling Convertors with Active Power Factor Correction Controllers
NASA Technical Reports Server (NTRS)
Regan, Timothy F.; Lewandowski, Edward J.; Schreiber, Jeffrey G.
2006-01-01
When using recently-developed active power factor correction (APFC) controllers in power systems comprised of dual-opposed free-piston Stirling convertors, a variety of configurations of the convertors and controller(s) can be considered, with configuration ultimately selected based on benefits of efficiency, reliability, and robust operation. The configuration must not only achieve stable control of the two convertors, but also synchronize and regulate motion of the pistons to minimize net dynamic forces. The NASA Glenn Research Center (GRC) System Dynamic Model (SDM) was used to study ten configurations of dual-opposed convertor systems. These configurations considered one controller with the alternators connected in series or in parallel, and two controllers with the alternators not connected (isolated). For the configurations where the alternators were not connected, several different approaches were evaluated to synchronize the two convertors. In addition, two thermodynamic configurations were considered: two convertors with isolated working spaces and convertors with a shared expansion space. Of the ten configurations studied, stable operating modes were found for four. Three of those four had a common expansion space. One stable configuration was found for the dual-opposed convertors with separate working spaces. That configuration required isochronous control of both convertors, and two APFC controllers were used to accomplish this. A frequency/phase control loop was necessary to allow each APFC controller to synchronize its associated convertor with a common frequency.
Space Shuttle 2 advanced space transportation system, volume 2
NASA Technical Reports Server (NTRS)
Adinaro, James N.; Benefield, Philip A.; Johnson, Shelby D.; Knight, Lisa K.
1989-01-01
To determine the best configuration from all candidate configurations, it was necessary first to calculate minimum system weights and performance. To optimize the design, it is necessary to vary configuration-specific variables such as total system weight, thrust-to-weight ratios, burn durations, total thrust available, and mass fraction for the system. Optimizing each of these variables at the same time is technically unfeasible and not necessarily mathematically possible. However, discrete sets of data can be generated which will eliminate many candidate configurations. From the most promising remaining designs, a final configuration can be selected. Included are the three most important designs considered: one which closely approximates the design criteria set forth in a Marshall Space Flight Center study of the Shuttle 2; the configuration used in the initial proposal; and the final configuration. A listing by cell of the formulas used to generate the aforementioned data is included for reference.
Applying design principles to fusion reactor configurations for propulsion in space
NASA Technical Reports Server (NTRS)
Carpenter, Scott A.; Deveny, Marc E.; Schulze, Norman R.
1993-01-01
The application of fusion power to space propulsion requires rethinking the engineering-design solution to controlled-fusion energy. Whereas the unit cost of electricity (COE) drives the engineering-design solution for utility-based fusion reactor configurations; initial mass to low earth orbit (IMLEO), specific jet power (kW(thrust)/kg(engine)), and reusability drive the engineering-design solution for successful application of fusion power to space propulsion. We applied three design principles (DP's) to adapt and optimize three candidate-terrestrial-fusion-reactor configurations for propulsion in space. The three design principles are: provide maximum direct access to space for waste radiation, operate components as passive radiators to minimize cooling-system mass, and optimize the plasma fuel, fuel mix, and temperature for best specific jet power. The three candidate terrestrial fusion reactor configurations are: the thermal barrier tandem mirror (TBTM), field reversed mirror (FRM), and levitated dipole field (LDF). The resulting three candidate space fusion propulsion systems have their IMLEO minimized and their specific jet power and reusability maximized. We performed a preliminary rating of these configurations and concluded that the leading engineering-design solution to space fusion propulsion is a modified TBTM that we call the Mirror Fusion Propulsion System (MFPS).
Shuttle Liquid Fly Back Booster Configuration Options
NASA Technical Reports Server (NTRS)
Healy, T. J., Jr.
1998-01-01
This paper surveys the basic configuration options available to a Liquid Fly Back Booster (LFBB), integrated with the Space Shuttle system. The background of the development of the LFBB concept is given. The influence of the main booster engine (BME) installations and the Fly Back Engine (FBE) installation on the aerodynamic configurations are also discussed. Limits on the LFBB configuration design space imposed by the existing Shuttle flight and ground elements are also described. The objective of the paper is to put the constrains and design space for an LFBB in perspective. The object of the work is to define LFBB configurations that significantly improve safety, operability, reliability and performance of the Shuttle system and dramatically lower operations costs.
Strongly contracted canonical transformation theory
NASA Astrophysics Data System (ADS)
Neuscamman, Eric; Yanai, Takeshi; Chan, Garnet Kin-Lic
2010-01-01
Canonical transformation (CT) theory describes dynamic correlation in multireference systems with large active spaces. Here we discuss CT theory's intruder state problem and why our previous approach of overlap matrix truncation becomes infeasible for sufficiently large active spaces. We propose the use of strongly and weakly contracted excitation operators as alternatives for dealing with intruder states in CT theory. The performance of these operators is evaluated for the H2O, N2, and NiO molecules, with comparisons made to complete active space second order perturbation theory and Davidson-corrected multireference configuration interaction theory. Finally, using a combination of strongly contracted CT theory and orbital-optimized density matrix renormalization group theory, we evaluate the singlet-triplet gap of free base porphin using an active space containing all 24 out-of-plane 2p orbitals. Modeling dynamic correlation with an active space of this size is currently only possible using CT theory.
Numerical Analysis of Neutral Entrainment Effect on Field-Reversed Configuration Thruster Efficiency
2014-12-01
and acceleration. Whereas such a high Isp may be highly desirable for deep space missions, the low - Earth - orbit and geosynchronous- Earth - orbit ...Due to the aforementioned factors, the optimal conditions are achieved for low -Z plasma at high (∼50 eV) temperature and in strong magnetic fields...cannot capture strongly nonequilibrium velocity distributions of charged and neutral species typical for high-energy plasma –neutral interaction . A
NASA Astrophysics Data System (ADS)
Gujarati, Tanvi P.; Wu, Yukai; Duan, Luming
2018-03-01
Duan-Lukin-Cirac-Zoller quantum repeater protocol, which was proposed to realize long distance quantum communication, requires usage of quantum memories. Atomic ensembles interacting with optical beams based on off-resonant Raman scattering serve as convenient on-demand quantum memories. Here, a complete free space, three-dimensional theory of the associated read and write process for this quantum memory is worked out with the aim of understanding intrinsic retrieval efficiency. We develop a formalism to calculate the transverse mode structure for the signal and the idler photons and use the formalism to study the intrinsic retrieval efficiency under various configurations. The effects of atomic density fluctuations and atomic motion are incorporated by numerically simulating this system for a range of realistic experimental parameters. We obtain results that describe the variation in the intrinsic retrieval efficiency as a function of the memory storage time for skewed beam configuration at a finite temperature, which provides valuable information for optimization of the retrieval efficiency in experiments.
Radiative one- and two-electron transitions into the empty K shell of He-like ions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kadrekar, Riddhi; Natarajan, L.
2011-12-15
The branching ratios between the single and double electron radiative transitions to empty K shell in He-like ions with 2s2p configuration are evaluated for 15 ions with 4{<=}Z{<=}26 using fully relativistic multiconfiguration Dirac-Fock wavefunctions in the active space approximation. The effects of configuration interaction and Breit contributions on the transition parameters have been analyzed in detail. Though the influence of Breit interaction on the electric dipole allowed one-electron radiative transitions is negligible, it substantially changes the spin-forbidden rates and the two-electron one-photon transition probabilities. Also, while the single electron transition rates are gauge independent, the correlated double-electron probabilities are foundmore » to be gauge sensitive. The probable uncertainties in the computed transition rates have been evaluated by considering the line strengths and the differences between the calculated and experimental transition energies as accuracy indicators. The present results are compared with other available experimental and theoretical data.« less
NASA Astrophysics Data System (ADS)
Wang, Huihui; Bokarev, Sergey I.; Aziz, Saadullah G.; Kühn, Oliver
2017-08-01
Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic timescales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core-hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter timescale. Using density matrix-based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p→3d) excited states of a prototypical Fe(II) complex. This process occurs on a timescale, which is faster than that of Auger decay (∼4 fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its control by soft X-ray light.
Accurate double many-body expansion potential energy surface for the 2(1)A' state of N2O.
Li, Jing; Varandas, António J C
2014-08-28
An accurate double many-body expansion potential energy surface is reported for the 2(1)A' state of N2O. The new double many-body expansion (DMBE) form has been fitted to a wealth of ab initio points that have been calculated at the multi-reference configuration interaction level using the full-valence-complete-active-space wave function as reference and the cc-pVQZ basis set, and subsequently corrected semiempirically via double many-body expansion-scaled external correlation method to extrapolate the calculated energies to the limit of a complete basis set and, most importantly, the limit of an infinite configuration interaction expansion. The topographical features of the novel potential energy surface are then examined in detail and compared with corresponding attributes of other potential functions available in the literature. Exploratory trajectories have also been run on this DMBE form with the quasiclassical trajectory method, with the thermal rate constant so determined at room temperature significantly enhancing agreement with experimental data.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sadat, M E; Patel, Ronak; Sookoor, Jason
2014-09-01
In this work, the effect of nanoparticle confinement on the magnetic relaxation of iron oxide (Fe3O4) nanoparticles (NP) was investigated by measuring the hyperthermia heating behavior in high frequency alternating magnetic field. Three different Fe3O4 nanoparticle systems having distinct nanoparticle configurations were studied in terms of magnetic hyperthermia heating rate and DC magnetization. All magnetic nanoparticle (MNP) systems were constructed using equivalent ~10nm diameter NP that were structured differently in terms of configuration, physical confinement, and interparticle spacing. The spatial confinement was achieved by embedding the Fe3O4 nanoparticles in the matrices of the polystyrene spheres of 100 nm, while themore » unconfined was the free Fe3O4 nanoparticles well-dispersed in the liquid via PAA surface coating. Assuming the identical core MNPs in each system, the heating behavior was analyzed in terms of particle freedom (or confinement), interparticle spacing, and magnetic coupling (or dipole-dipole interaction). DC magnetization data were correlated to the heating behavior with different material properties. Analysis of DC magnetization measurements showed deviation from classical Langevin behavior near saturation due to dipole interaction modification of the MNPs resulting in a high magnetic anisotropy. It was found that the Specific Absorption Rate (SAR) of the unconfined nanoparticle systems were significantly higher than those of confined (the MNPs embedded in the polystyrene matrix). This increase of SAR was found to be attributable to high Néel relaxation rate and hysteresis loss of the unconfined MNPs. It was also found that the dipole-dipole interactions can significantly reduce the global magnetic response of the MNPs and thereby decrease the SAR of the nanoparticle systems.« less
Trap configuration and spacing influences parameter estimates in spatial capture-recapture models
Sun, Catherine C.; Fuller, Angela K.; Royle, J. Andrew
2014-01-01
An increasing number of studies employ spatial capture-recapture models to estimate population size, but there has been limited research on how different spatial sampling designs and trap configurations influence parameter estimators. Spatial capture-recapture models provide an advantage over non-spatial models by explicitly accounting for heterogeneous detection probabilities among individuals that arise due to the spatial organization of individuals relative to sampling devices. We simulated black bear (Ursus americanus) populations and spatial capture-recapture data to evaluate the influence of trap configuration and trap spacing on estimates of population size and a spatial scale parameter, sigma, that relates to home range size. We varied detection probability and home range size, and considered three trap configurations common to large-mammal mark-recapture studies: regular spacing, clustered, and a temporal sequence of different cluster configurations (i.e., trap relocation). We explored trap spacing and number of traps per cluster by varying the number of traps. The clustered arrangement performed well when detection rates were low, and provides for easier field implementation than the sequential trap arrangement. However, performance differences between trap configurations diminished as home range size increased. Our simulations suggest it is important to consider trap spacing relative to home range sizes, with traps ideally spaced no more than twice the spatial scale parameter. While spatial capture-recapture models can accommodate different sampling designs and still estimate parameters with accuracy and precision, our simulations demonstrate that aspects of sampling design, namely trap configuration and spacing, must consider study area size, ranges of individual movement, and home range sizes in the study population.
A study of concept options for the evolution of Space Station Freedom
NASA Technical Reports Server (NTRS)
Kowitz, Herbert R.; Brender, Karen D.; Cirillo, William M.; Collier, Lisa; Ganoe, George G.; Gould, Marston J.; Kaszubowski, Martin; Lawrence, George F.; Llewellyn, Charles P.; Reaux, Ray
1990-01-01
Two conceptual evolution configurations for Space Station Freedom, a research and development configuration, and a transportation node configuration are described and analyzed. Results of pertinent analyses of mass properties, attitude control, microgravity, orbit lifetime, and reboost requirements are provided along with a description of these analyses. Also provided are brief descriptions of the elements and systems that comprise these conceptual configurations.
Dynamic Deployment Simulations of Inflatable Space Structures
NASA Technical Reports Server (NTRS)
Wang, John T.
2005-01-01
The feasibility of using Control Volume (CV) method and the Arbitrary Lagrangian Eulerian (ALE) method in LSDYNA to simulate the dynamic deployment of inflatable space structures is investigated. The CV and ALE methods were used to predict the inflation deployments of three folded tube configurations. The CV method was found to be a simple and computationally efficient method that may be adequate for modeling slow inflation deployment sine the inertia of the inflation gas can be neglected. The ALE method was found to be very computationally intensive since it involves the solving of three conservative equations of fluid as well as dealing with complex fluid structure interactions.
Constrained Hartree-Fock Theory and Study of Deformed Structures of Closed Shell Nuclei
NASA Astrophysics Data System (ADS)
Praharaj, Choudhury
2016-03-01
We have studied some N or Z = 50 nuclei in a microscopic model with effective interaction in a reasonably large shell model space. Excitation of particles across 50 shell closure leads to well-deformed excited prolate configurations. The potential energy surfaces of nuclei are studied using Hartree-Fock theory with quadrupole constraint to explore the various deformed configurations of N = 50 nuclei 82Ge , 84Se and 86Kr . Energy spectra are calculated from various intrinsic states using Peierls-Yoccoz angular momentum projection technique. Results of spectra and electromagnetic moments and transitions will be presented for N = 50 nuclei and for Z = 50 114Sn nucleus. Supported by Grant No SB/S2/HEP-06/2013 of DST.
Annular flow in rod-bundle: Effect of spacer on disturbance waves
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pham, Son H.; Kunugi, Tomoaki
2016-08-01
A high-speed camera technique is used to study the effect of spacers on the disturbance waves present in annular two-phase flow within a rod-bundle geometry. Images obtained using a backlight configuration to visualize the spacer-wave interactions at the micro-scale resolution (in time and space) are discussed. This paper also presents additional images obtained using a reflected light configuration which provides new observations of the disturbance waves. These images show the separation effect caused by the spacer on the liquid film in which the size of generated liquid droplets can be controlled by the gas superficial velocity. Furthermore, the data confirmmore » that the spacer breaks the circumferential coherent structures of the waves.« less
Brajuskovic, V.; Barrows, F.; Phatak, C.; ...
2016-10-03
Artificial spin ice lattices have emerged as model systems for studying magnetic frustration in recent years. Most work to date has looked at periodic artificial spin ice lattices. In this paper, we observe frustration effects in quasicrystal artificial spin ice lattices that lack translational symmetry and contain vertices with different numbers of interacting elements. We find that as the lattice state changes following demagnetizing and annealing, specific vertex motifs retain low-energy configurations, which excites other motifs into higher energy configurations. In addition, we find that unlike the magnetization reversal process for periodic artificial spin ice lattices, which occurs through 1Dmore » avalanches, quasicrystal lattices undergo reversal through a dendritic 2D avalanche mechanism.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Brajuskovic, V.; Barrows, F.; Phatak, C.
Artificial spin ice lattices have emerged as model systems for studying magnetic frustration in recent years. Most work to date has looked at periodic artificial spin ice lattices. In this paper, we observe frustration effects in quasicrystal artificial spin ice lattices that lack translational symmetry and contain vertices with different numbers of interacting elements. We find that as the lattice state changes following demagnetizing and annealing, specific vertex motifs retain low-energy configurations, which excites other motifs into higher energy configurations. In addition, we find that unlike the magnetization reversal process for periodic artificial spin ice lattices, which occurs through 1Dmore » avalanches, quasicrystal lattices undergo reversal through a dendritic 2D avalanche mechanism.« less
Hypersonic shock wave interaction and impingement
NASA Technical Reports Server (NTRS)
Kessler, W. C.; Reilly, J. F.; Sampatacos, E.
1971-01-01
An experimental investigation was conducted on space shuttle type, body-wing configurations. The purpose of the investigation was to determine the effects of body and wing geometry on the hypersonic shock structure about these vehicles and on the resulting surface impingement of interior flow field shock and expansion waves. Schlieren photographs and thermographic phosphor paint data were obtained on three body cross sections with three wing planforms at 40, 50 and 60 degree angles of attack. Specific configuration data were obtained at 0 and 30 degree angles of attack to develop trends. These data were obtained at a nominal Mach number of 13.5 and a freestream unit Reynolds number of 0.7 million per foot. For comparison with these straight wing configurations, data were also obtained on a model of a point design, high cross-range, delta wing orbiter at 40, 50 and 60 degree angles of attack. As expected, the data on this delta wing orbiter indicated that the shock intersection/impingement phenomena associated with straight wing vehicles are considerably more complex than, and result in both windward and leeward surface heating regions not present on, the delta configuration.
Design principles and optimal performance for molecular motors under realistic constraints
NASA Astrophysics Data System (ADS)
Tu, Yuhai; Cao, Yuansheng
2018-02-01
The performance of a molecular motor, characterized by its power output and energy efficiency, is investigated in the motor design space spanned by the stepping rate function and the motor-track interaction potential. Analytic results and simulations show that a gating mechanism that restricts forward stepping in a narrow window in configuration space is needed for generating high power at physiologically relevant loads. By deriving general thermodynamics laws for nonequilibrium motors, we find that the maximum torque (force) at stall is less than its theoretical limit for any realistic motor-track interactions due to speed fluctuations. Our study reveals a tradeoff for the motor-track interaction: while a strong interaction generates a high power output for forward steps, it also leads to a higher probability of wasteful spontaneous back steps. Our analysis and simulations show that this tradeoff sets a fundamental limit to the maximum motor efficiency in the presence of spontaneous back steps, i.e., loose-coupling. Balancing this tradeoff leads to an optimal design of the motor-track interaction for achieving a maximum efficiency close to 1 for realistic motors that are not perfectly coupled with the energy source. Comparison with existing data and suggestions for future experiments are discussed.
Multiscale Molecular Dynamics Simulations of Beta-Amyloid Interactions with Neurons
NASA Astrophysics Data System (ADS)
Qiu, Liming; Vaughn, Mark; Cheng, Kelvin
2012-10-01
Early events of human beta-amyloid protein interactions with cholesterol-containing membranes are critical to understanding the pathogenesis of Alzheimer's disease (AD) and to exploring new therapeutic interventions of AD. Atomistic molecular dynamics (AMD) simulations have been extensively used to study the protein-lipid interaction at high atomic resolutions. However, traditional MD simulations are not efficient in sampling the phase space of complex lipid/protein systems with rugged free energy landscapes. Meanwhile, coarse-grained MD (CGD) simulations are efficient in the phase space sampling but suffered from low spatial resolutions and from the fact that the energy landscapes are not identical to those of the AMD. Here, a multiscale approach was employed to simulate the protein-lipid interactions of beta-amyloid upon its release from proteolysis residing in the neuronal membranes. We utilized a forward (AMD to CGD) and reverse (CGD-AMD) strategy to explore new transmembrane and surface protein configuration and evaluate the stabilization mechanisms by measuring the residue-specific protein-lipid or protein conformations. The detailed molecular interactions revealed in this multiscale MD approach will provide new insights into understanding the early molecular events leading to the pathogenesis of AD.
NASA Technical Reports Server (NTRS)
Graff, S. H.
1985-01-01
Sometimes it is necessary to mount a payload remotely from the main body of a spacecraft or space station. The reasons for this vary from vibration isolation to avoidance of measurement contamination. For example the SP-100 project, which grew out of the increased interest in nuclear power in space for space stations and for deep space explorations, requires separation of the nuclear reactor from the user because of vibration, heat and radiation. The different attitude control problems for beam and tether configurations are discussed. The beam configuration uses a conservative design approach. The vibration, beam flexibility and deployment concerns are analyzed. The tether configuration offers some very attractive design features, but not without several thorny problems. These problems are analyzed. One configuration will be recommended for the main thrust of the SP-100 design effort based on attitude control considerations.
Space Transportation Booster Engine (STBE) configuration study
NASA Technical Reports Server (NTRS)
1986-01-01
The overall objective of this Space Transportation Booster Engine (STBE) study is to identify candidate engine configurations which enhance vehicle performance and provide operational flexibility at low cost. The specific objectives are as follows: (1) to identify and evaluate candidate LOX/HC engine configurations for the Advanced Space Transportation System for an early 1995 IOC and a late 2000 IOC; (2) to select one optimum engine for each time period; 3) to prepare a conceptual design for each configuration; (4) to develop a technology plan for the 2000 IOC engine; and, (5) to prepare preliminary programmatic planning and analysis for the 1995 IOC engine.
Space shuttle phase B wind tunnel model and test information. Volume 3: Launch configuration
NASA Technical Reports Server (NTRS)
Glynn, J. L.; Poucher, D. E.
1988-01-01
Archived wind tunnel test data are available for flyback booster or other alternate recoverable configuration as well as reusable orbiters studied during initial development (Phase B) of the Space Shuttle, including contractor data for an extensive variety of configurations with an array of wing and body planforms. The test data have been compiled into a database and are available for application to current winged flyback or recoverable booster aerodynamic studies. The Space Shuttle Phase B Wind Tunnel Database is structured by vehicle component and configuration. Basic components include booster, orbiter, and launch vehicle. Booster configuration types include straight and delta wings, canard, cylindrical, retroglide and twin body. Orbiter configurations include straight and delta wings, lifting body, drop tanks and double delta wings. Launch configurations include booster and orbiter components in various stacked and tandem combinations. The digital database consists of 220 files containing basic tunnel data. Database structure is documented in a series of reports which include configuration sketches for the various planforms tested. This is Volume 3 -- launch configurations.
Emulating a flexible space structure: Modeling
NASA Technical Reports Server (NTRS)
Waites, H. B.; Rice, S. C.; Jones, V. L.
1988-01-01
Control Dynamics, in conjunction with Marshall Space Flight Center, has participated in the modeling and testing of Flexible Space Structures. Through the series of configurations tested and the many techniques used for collecting, analyzing, and modeling the data, many valuable insights have been gained and important lessons learned. This paper discusses the background of the Large Space Structure program, Control Dynamics' involvement in testing and modeling of the configurations (especially the Active Control Technique Evaluation for Spacecraft (ACES) configuration), the results from these two processes, and insights gained from this work.
Selection of active spaces for multiconfigurational wavefunctions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch
2015-06-28
The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximatemore » the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.« less
Selection of active spaces for multiconfigurational wavefunctions
NASA Astrophysics Data System (ADS)
Keller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz; Reiher, Markus; Pulay, Peter
2015-06-01
The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F2, ozone, and NO2), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr2). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.
Space Station reference configuration description
NASA Technical Reports Server (NTRS)
1984-01-01
The data generated by the Space Station Program Skunk Works over a period of 4 months which supports the definition of a Space Station reference configuration is documented. The data were generated to meet these objectives: (1) provide a focal point for the definition and assessment of program requirements; (2) establish a basis for estimating program cost; and (3) define a reference configuration in sufficient detail to allow its inclusion in the definition phase Request for Proposal (RFP).
NASA Technical Reports Server (NTRS)
Ericsson, L. E.; Reding, J. P.
1976-01-01
An analysis of the steady and unsteady aerodynamics of the space shuttle orbiter has been performed. It is shown that slender wing theory can be modified to account for the effect of Mach number and leading edge roundness on both attached and separated flow loads. The orbiter unsteady aerodynamics can be computed by defining two equivalent slender wings, one for attached flow loads and another for the vortex-induced loads. It is found that the orbiter is in the transonic speed region subject to vortex-shock-boundary layer interactions that cause highly nonlinear or discontinuous load changes which can endanger the structural integrity of the orbiter wing and possibly cause snap roll problems. It is presently impossible to simulate these interactions in a wind tunnel test even in the static case. Thus, a well planned combined analytic and experimental approach is needed to solve the problem.
Linear Sigma Model Toolshed for D-brane Physics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hellerman, Simeon
Building on earlier work, we construct linear sigma models for strings on curved spaces in the presence of branes. Our models include an extremely general class of brane-worldvolume gauge field configurations. We explain in an accessible manner the mathematical ideas which suggest appropriate worldsheet interactions for generating a given open string background. This construction provides an explanation for the appearance of the derived category in D-brane physic complementary to that of recent work of Douglas.
Chen, Hung-Cheng; Hsu, Chao-Ping
2005-12-29
To calculate electronic couplings for photoinduced electron transfer (ET) reactions, we propose and test the use of ab initio quantum chemistry calculation for excited states with the generalized Mulliken-Hush (GMH) method. Configuration-interaction singles (CIS) is proposed to model the locally excited (LE) and charge-transfer (CT) states. When the CT state couples with other high lying LE states, affecting coupling values, the image charge approximation (ICA), as a simple solvent model, can lower the energy of the CT state and decouple the undesired high-lying local excitations. We found that coupling strength is weakly dependent on many details of the solvent model, indicating the validity of the Condon approximation. Therefore, a trustworthy value can be obtained via this CIS-GMH scheme, with ICA used as a tool to improve and monitor the quality of the results. Systems we tested included a series of rigid, sigma-linked donor-bridge-acceptor compounds where "through-bond" coupling has been previously investigated, and a pair of molecules where "through-space" coupling was experimentally demonstrated. The calculated results agree well with experimentally inferred values in the coupling magnitudes (for both systems studied) and in the exponential distance dependence (for the through-bond series). Our results indicate that this new scheme can properly account for ET coupling arising from both through-bond and through-space mechanisms.
In-medium similarity renormalization group for closed and open-shell nuclei
NASA Astrophysics Data System (ADS)
Hergert, H.
2017-02-01
We present a pedagogical introduction to the in-medium similarity renormalization group (IMSRG) framework for ab initio calculations of nuclei. The IMSRG performs continuous unitary transformations of the nuclear many-body Hamiltonian in second-quantized form, which can be implemented with polynomial computational effort. Through suitably chosen generators, it is possible to extract eigenvalues of the Hamiltonian in a given nucleus, or drive the Hamiltonian matrix in configuration space to specific structures, e.g., band- or block-diagonal form. Exploiting this flexibility, we describe two complementary approaches for the description of closed- and open-shell nuclei: the first is the multireference IMSRG (MR-IMSRG), which is designed for the efficient calculation of nuclear ground-state properties. The second is the derivation of non-empirical valence-space interactions that can be used as input for nuclear shell model (i.e., configuration interaction (CI)) calculations. This IMSRG+shell model approach provides immediate access to excitation spectra, transitions, etc, but is limited in applicability by the factorial cost of the CI calculations. We review applications of the MR-IMSRG and IMSRG+shell model approaches to the calculation of ground-state properties for the oxygen, calcium, and nickel isotopic chains or the spectroscopy of nuclei in the lower sd shell, respectively, and present selected new results, e.g., for the ground- and excited state properties of neon isotopes.
Operations analysis (study 2.1). Payload designs for space servicing, addendum
NASA Technical Reports Server (NTRS)
Wolfe, R. R.
1974-01-01
Space replaceable units and payload configurations are revised to reflect increased levels of redundancy to be more consistent with current design practices. A reassessment of expendable payload design reliabilities was performed to provide a common basis for comparison with space serviceable configurations.
A Subjective Test of Modulated Blade Spacing for Helicopter Main Rotors
NASA Technical Reports Server (NTRS)
Sullivan, Brenda M.; Edwards, Bryan D.; Brentner, Kenneth S.; Booth, Earl R., Jr.
2002-01-01
Analytically, uneven (modulated) spacing of main rotor blades was found to reduce helicopter noise. A study was performed to see if these reductions transferred to improvements in subjective response. Using a predictive computer code, sounds produced by six main rotor configurations: 4 blades evenly spaced, 5 blades evenly spaced and four configurations with 5 blades with modulated spacing of varying amounts, were predicted. These predictions were converted to audible sounds corresponding to the level flyover, takeoff and approach flight conditions. Subjects who heard the simulations were asked to assess the overflight sounds in terms of noisiness on a scale of 0 to 10. In general the evenly spaced configurations were found less noisy than the modulated spacings, possibly because the uneven spacings produced a perceptible pulsating sound due to the very low fundamental frequency.
Space shuttle phase B wind tunnel model and test information. Volume 2: Orbiter configuration
NASA Technical Reports Server (NTRS)
Glynn, J. L.; Poucher, D. E.
1988-01-01
Archived wind tunnel test data are available for flyback booster or other alternative recoverable configurations as well as reusable orbiters studied during initial development (Phase B) of the Space Shuttle. Considerable wind tunnel data was acquired by the competing contractors and the NASA centers for an extensive variety of configurations with an array of wing and body planforms. All contractor and NASA wind tunnel test data acquired in the Phase B development have been compiled into a data base and are available for applying to current winged flyback or recoverable booster aerodynamic studies. The Space Shuttle Phase B Wind Tunnel Data Base is structured by vehicle component and configuration type. Basic components include the booster, the orbiter, and the launch vehicle. Booster configuration types include straight and delta wings, canard, cylindrical, retro-glide and twin body. Orbiter configuration types include straight and delta wings, lifting body, drop tanks, and double delta wings. Launch configuration types include booster and orbiter components in various stacked and tandem combinations.
Space shuttle phase B wind tunnel model and test information. Volume 3: Launch configuration
NASA Technical Reports Server (NTRS)
Glynn, J. L.; Poucher, D. E.
1988-01-01
Archived wind tunnel data are available for flyback booster or other alternative recoverable configurations as well as reusable orbiters studied during initial development (Phase B) of the Space Shuttle. Considerable wind tunnel data was acquired by the competing contractors and the NASA Centers for an extensive variety of configurations with an array of wing and body planforms. All contractor and NASA wind tunnel data acquired in the Phase B development have been compiled into a data base and are available for application to current winged flyback or recoverable booster aerodynamic studies. The Space Shuttle Phase B Wind Tunnel Database is structured by vehicle component and configuration type. Basic components include booster, orbiter and launch vehicle. Booster configuration types include straight and delta wings, canard, cylindrical, retroglide and twin body. Orbital configuration types include straight and delta wings, lifting body, drop tanks and double delta wings. This is Volume 3 (Part 2) of the report -- Launch Configuration -- which includes booster and orbiter components in various stacked and tandem combinations.
Aeroacoustic Simulations of Tandem Cylinders with Subcritical Spacing
NASA Technical Reports Server (NTRS)
Lockard, David P.; Choudhari, Meelan M.; Khorrami, Mehdi R.; Neuhart, Dan H.; Hutcheson, Florence V.; Brooks, Thomas F.; Stead, Daniel J.
2008-01-01
Tandem cylinders are being studied because they model a variety of component level interactions of landing gear. The present effort is directed at the case of two identical cylinders with their centroids separated in the streamwise direction by 1.435 diameters. Experiments in the Basic Aerodynamic Research Tunnel and Quiet Flow Facility at NASA Langley Research Center have provided an extensive experimental database of the nearfield flow and radiated noise. The measurements were conducted at a Mach number of 0.1285 and Reynolds number of 1.66x10(exp 5) based on the cylinder diameter. A trip was used on the upstream cylinder to insure a fully turbulent flow separation and, hence, to simulate a major aspect of high Reynolds number flow. The parallel computational effort uses the three-dimensional Navier-Stokes solver CFL3D with a hybrid, zonal turbulence model that turns off the turbulence production term everywhere except in a narrow ring surrounding solid surfaces. The experiments exhibited an asymmetry in the surface pressure that was persistent despite attempts to eliminate it through small changes in the configuration. To model the asymmetry, the simulations were run with the cylinder configuration at a nonzero but small angle of attack. The computed results and experiments are in general agreement that vortex shedding for the spacing studied herein is weak relative to that observed at supercritical spacings. Although the shedding was subdued in the simulations, it was still more prominent than in the experiments. Overall, the simulation comparisons with measured near-field data and the radiated acoustics are reasonable, especially if one is concerned with capturing the trends relative to larger cylinder spacings. However, the flow details of the 1.435 diameter spacing have not been captured in full even though very fine grid computations have been performed. Some of the discrepancy may be associated with the simulation s inexact representation of the experimental configuration, but numerical and flow modeling errors are also likely contributors to the observed differences.
Space shuttle phase B wind tunnel model and test information. Volume 1: Booster configuration
NASA Technical Reports Server (NTRS)
Glynn, J. L.; Poucher, D. E.
1988-01-01
Archived wind tunnel test data are available for flyback booster or other alternative recoverable configurations as well as reusable orbiters studied during initial development (Phase B) of the Space Shuttle. Considerable wind tunnel data was acquired by the competing contractors and the NASA Centers for an extensive variety of configurations with an array of wing and body planforms. All contractor and NASA wind tunnel test data acquired in the Phase B development have been compiled into a database and are available for application to current winged flyback or recoverable booster aerodynamic studies. The Space Shuttle Phase B Wind Tunnel Database is structured by vehicle component and configuration type. Basic components include the booster, the orbiter, and the launch vehicle. Booster configuration types include straight and delta wings, canard, cylindrical, retroglide and twin body. Orbiter configuration types include straight and delta wings, lifting body, drop tanks and double delta wings. Launch configurations include booster and orbiter components in various stacked and tandem combinations. This is Volume 1 (Part 2) of the report -- Booster Configuration.
Space shuttle phase B wind tunnel model and test information. Volume 1: Booster configuration
NASA Technical Reports Server (NTRS)
Glynn, J. L.; Poucher, D. E.
1988-01-01
Archived wind tunnel test data are available for flyback booster or other alternative recoverable configurations as well as reusable orbiters studied during initial development (Phase B) of the Space Shuttle. Considerable wind tunnel data was acquired by the competing contractors and the NASA Centers for an extensive variety of configurations with an array of wing and body planforms. All contractor and NASA wind tunnel test data acquired in the Phase B development have been compiled into a database and are available for application to current winged flyback or recoverable booster aerodynamic studies. The Space Shuttle Phase B Wind Tunnel Database is structured by vehicle component and configuration type. Basic components include the booster, the orbiter and the launch vehicle. Booster configuration types include straight and delta wings, canard, cylindrical, retroglide and twin body. Orbiter configuration types include straight and delta wings, lifting body, drop tanks, and double delta wings. Launch configurations include booster and orbiter components in various stacked and tandem combinations. This is Volume 1 (Part 1) of the report -- Booster Configuration.
Payload maintenance cost model for the space telescope
NASA Technical Reports Server (NTRS)
White, W. L.
1980-01-01
An optimum maintenance cost model for the space telescope for a fifteen year mission cycle was developed. Various documents and subsequent updates of failure rates and configurations were made. The reliability of the space telescope for one year, two and one half years, and five years were determined using the failure rates and configurations. The failure rates and configurations were also used in the maintenance simulation computer model which simulate the failure patterns for the fifteen year mission life of the space telescope. Cost algorithms associated with the maintenance options as indicated by the failure patterns were developed and integrated into the model.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhu, Xiaolei, E-mail: virtualzx@gmail.com; Yarkony, David R., E-mail: yarkony@jhu.edu
2016-01-14
In this work, we demonstrate that for moderate sized systems, here a system with 13 atoms, global coupled potential energy surfaces defined for several electronic states over a wide energy range and for distinct regions of nuclear coordinate space characterized by distinct electron configurations, can be constructed with precise energetics and an excellent description of non-adiabatic interactions in all regions. This is accomplished using a recently reported algorithm for constructing quasi-diabatic representations, H{sup d}, of adiabatic electronic states coupled by conical intersections. In this work, the algorithm is used to construct an H{sup d} to describe the photodissociation of phenolmore » from its first and second excited electronic states. The representation treats all 33 internal degrees of freedom in an even handed manner. The ab initio adiabatic electronic structure data used to construct the fit are obtained exclusively from multireference configuration interaction with single and double excitation wave functions comprised of 88 × 10{sup 6} configuration state functions, at geometries determined by quasi-classical trajectories. Since the algorithm uses energy gradients and derivative couplings in addition to electronic energies to construct H{sup d}, data at only 7379 nuclear configurations are required to construct a representation, which describes all nuclear configurations involved in H atom photodissociation to produce the phenoxyl radical in its ground or first excited electronic state, with a mean unsigned energy error of 202.9 cm{sup −1} for electronic energies <60 000 cm{sup −1}.« less
Primary propulsion/large space system interaction study
NASA Technical Reports Server (NTRS)
Coyner, J. V.; Dergance, R. H.; Robertson, R. I.; Wiggins, J. V.
1981-01-01
An interaction study was conducted between propulsion systems and large space structures to determine the effect of low thrust primary propulsion system characteristics on the mass, area, and orbit transfer characteristics of large space systems (LSS). The LSS which were considered would be deployed from the space shuttle orbiter bay in low Earth orbit, then transferred to geosynchronous equatorial orbit by their own propulsion systems. The types of structures studied were the expandable box truss, hoop and column, and wrap radial rib each with various surface mesh densities. The impact of the acceleration forces on system sizing was determined and the effects of single point, multipoint, and transient thrust applications were examined. Orbit transfer strategies were analyzed to determine the required velocity increment, burn time, trip time, and payload capability over a range of final acceleration levels. Variables considered were number of perigee burns, delivered specific impulse, and constant thrust and constant acceleration modes of propulsion. Propulsion stages were sized for four propellant combinations; oxygen/hydrogen, oxygen/methane, oxygen/kerosene, and nitrogen tetroxide/monomethylhydrazine, for pump fed and pressure fed engine systems. Two types of tankage configurations were evaluated, minimum length to maximize available payload volume and maximum performance to maximize available payload mass.
Simulation of 2D Kinetic Effects in Plasmas using the Grid Based Continuum Code LOKI
NASA Astrophysics Data System (ADS)
Banks, Jeffrey; Berger, Richard; Chapman, Tom; Brunner, Stephan
2016-10-01
Kinetic simulation of multi-dimensional plasma waves through direct discretization of the Vlasov equation is a useful tool to study many physical interactions and is particularly attractive for situations where minimal fluctuation levels are desired, for instance, when measuring growth rates of plasma wave instabilities. However, direct discretization of phase space can be computationally expensive, and as a result there are few examples of published results using Vlasov codes in more than a single configuration space dimension. In an effort to fill this gap we have developed the Eulerian-based kinetic code LOKI that evolves the Vlasov-Poisson system in 2+2-dimensional phase space. The code is designed to reduce the cost of phase-space computation by using fully 4th order accurate conservative finite differencing, while retaining excellent parallel scalability that efficiently uses large scale computing resources. In this poster I will discuss the algorithms used in the code as well as some aspects of their parallel implementation using MPI. I will also overview simulation results of basic plasma wave instabilities relevant to laser plasma interaction, which have been obtained using the code.
NASA Technical Reports Server (NTRS)
Dods, J. B., Jr.; Hanly, R. D.; Efting, J. H.
1975-01-01
Shadowgraphs of five space shuttle launch configurations are presented. The model was a 4 percent-scale space shuttle vehicle, tested in the 11- by 11-foot Transonic Wind Tunnel at Ames Research Center. The Mach number was varied from 0.8 to 1.4 with three angles of sideslip (0 deg, 5 deg and -5 deg) that were used in conjunction with three angles of attack (4 deg, -4 deg, and 0 deg). The model configurations included both series-burn and parallel-burn configurations, two canopy configurations, two positions of the orbiter nose relative to the HO tank nose, and two HO tank nose-cones angles (15 deg and 20 deg). The data consist entirely of shadowgraph photographs.
Unexpected Control Structure Interaction on International Space Station
NASA Technical Reports Server (NTRS)
Gomez, Susan F.; Platonov, Valery; Medina, Elizabeth A.; Borisenko, Alexander; Bogachev, Alexey
2017-01-01
On June 23, 2011, the International Space Station (ISS) was performing a routine 180 degree yaw maneuver in support of a Russian vehicle docking when the on board Russian Segment (RS) software unexpectedly declared two attitude thrusters failed and switched thruster configurations in response to unanticipated ISS dynamic motion. Flight data analysis after the maneuver indicated that higher than predicted structural loads had been induced at various locations on the United States (U.S.) segment of the ISS. Further analysis revealed that the attitude control system was firing thrusters in response to both structural flex and rigid body rates, which resonated the structure and caused high loads and fatigue cycles. It was later determined that the thruster themselves were healthy. The RS software logic, which was intended to react to thruster failures, had instead been heavily influenced by interaction between the control system and structural flex. This paper will discuss the technical aspects of the control structure interaction problem that led to the RS control system firing thrusters in response to structural flex, the factors that led to insufficient preflight analysis of the thruster firings, and the ramifications the event had on the ISS. An immediate consequence included limiting which thrusters could be used for attitude control. This complicated the planning of on-orbit thruster events and necessitated the use of suboptimal thruster configurations that increased propellant usage and caused thruster lifetime usage concerns. In addition to the technical aspects of the problem, the team dynamics and communication shortcomings that led to such an event happening in an environment where extensive analysis is performed in support of human space flight will also be examined. Finally, the technical solution will be presented, which required a multidisciplinary effort between the U.S. and Russian control system engineers and loads and dynamics structural engineers to develop and implement an extensive modification in the RS software logic for ISS attitude control thruster firings.
Evaluation of Sensor Configurations for Robotic Surgical Instruments
Gómez-de-Gabriel, Jesús M.; Harwin, William
2015-01-01
Designing surgical instruments for robotic-assisted minimally-invasive surgery (RAMIS) is challenging due to constraints on the number and type of sensors imposed by considerations such as space or the need for sterilization. A new method for evaluating the usability of virtual teleoperated surgical instruments based on virtual sensors is presented. This method uses virtual prototyping of the surgical instrument with a dual physical interaction, which allows testing of different sensor configurations in a real environment. Moreover, the proposed approach has been applied to the evaluation of prototypes of a two-finger grasper for lump detection by remote pinching. In this example, the usability of a set of five different sensor configurations, with a different number of force sensors, is evaluated in terms of quantitative and qualitative measures in clinical experiments with 23 volunteers. As a result, the smallest number of force sensors needed in the surgical instrument that ensures the usability of the device can be determined. The details of the experimental setup are also included. PMID:26516863
Evaluation of Sensor Configurations for Robotic Surgical Instruments.
Gómez-de-Gabriel, Jesús M; Harwin, William
2015-10-27
Designing surgical instruments for robotic-assisted minimally-invasive surgery (RAMIS) is challenging due to constraints on the number and type of sensors imposed by considerations such as space or the need for sterilization. A new method for evaluating the usability of virtual teleoperated surgical instruments based on virtual sensors is presented. This method uses virtual prototyping of the surgical instrument with a dual physical interaction, which allows testing of different sensor configurations in a real environment. Moreover, the proposed approach has been applied to the evaluation of prototypes of a two-finger grasper for lump detection by remote pinching. In this example, the usability of a set of five different sensor configurations, with a different number of force sensors, is evaluated in terms of quantitative and qualitative measures in clinical experiments with 23 volunteers. As a result, the smallest number of force sensors needed in the surgical instrument that ensures the usability of the device can be determined. The details of the experimental setup are also included.
Mooßen, Oliver; Dolg, Michael
2016-06-09
The geometric and electronic structure of the recently experimentally studied molecules ZCeF2 (Z = CH2, O) was investigated by density functional theory (DFT) and wave function-based ab initio methods. Special attention was paid to the Ce-Z metal-ligand bonding, especially to the nature of the interaction between the Ce 4f and the Z 2p orbitals and the possible multiconfigurational character arising from it, as well as to the assignment of an oxidation state of Ce reflecting the electronic structure. Complete active space self-consistent field (CASSCF) calculations were performed, followed by orbital rotations in the active orbital space. The methylene compound CH2CeF2 has an open-shell singlet ground state, which is characterized by a two-configurational wave function in the basis of the strongly mixed natural CASSCF orbitals. The system can also be described in a very compact way by the dominant Ce 4f(1) C 2p(1) configuration, if nearly pure Ce 4f and C 2p orbitals are used. In the basis of these localized orbitals, the molecule is almost monoconfigurational and should be best described as a Ce(III) system. The singlet ground state of the oxygen OCeF2 complex is of closed-shell character when a monoconfigurational wave function with very strongly mixed Ce 4f and O 2p CASSCF natural orbitals is used for the description. The transformation to orbitals localized on the cerium and oxygen atoms leads to a multiconfigurational wave function and reveals characteristics of a mixed valent Ce(IV)/Ce(III) compound. Additionally, the interactions of the localized active orbitals were analyzed by evaluating the expectation values of the charge fluctuation operator and the local spin operator. The Ce 4f and C 2p orbital interaction of the CH2CeF2 compound is weakly covalent and resembles the interaction of the H 1s orbitals in a stretched hydrogen dimer. In contrast, the interaction of the localized active orbitals for OCeF2 shows ionic character. Calculated vibrational Ce-C and Ce-O stretching frequencies at the DFT, CASSCF, second-order Rayleigh-Schrödinger perturbation theory (RS2C), multireference configuration interaction (MRCI), as well as single, doubles, and perturbative triples coupled cluster (CCSD(T)) level are reported and compared to experimental infrared absorption data in a Ne and Ar matrix.
Hennebicq, Emmanuelle; Deleener, Caroline; Brédas, Jean-Luc; Scholes, Gregory D; Beljonne, David
2006-08-07
The influence of chemical defects and conformational kinks on the nature of the lowest electronic excitations in phenylenevinylene-based polymers is assessed at the semiempirical quantum-chemical level. The amount of excited-state localization and the amplitude of through-space (Coulomb-like) versus through-bond (charge-transfer-like) interactions have been quantified by comparing the results provided by excitonic and supermolecular models. While excitation delocalization among conjugated segments delineated by the defects occurs in the acceptor configuration, self-confinement on individual chromophores follows from geometric relaxation in the excited-state donor configuration. The extent of excited-state localization is found to be sensitive to both the nature of the defect and the length of the conjugated chains. Implications for resonant energy transfer along conjugated polymer chains are discussed.
NASA Technical Reports Server (NTRS)
Almloef, Jan; Deleeuw, Bradley J.; Taylor, Peter R.; Bauschlicher, Charles W., Jr.; Siegbahn, Per
1989-01-01
The requirements for very accurate ab initio quantum chemical prediction of dissociation energies are examined using a detailed investigation of the nitrogen molecule. Although agreement with experiment to within 1 kcal/mol is not achieved even with the most elaborate multireference CI (configuration interaction) wave functions and largest basis sets currently feasible, it is possible to obtain agreement to within about 2 kcal/mol, or 1 percent of the dissociation energy. At this level it is necessary to account for core-valence correlation effects and to include up to h-type functions in the basis. The effect of i-type functions, the use of different reference configuration spaces, and basis set superposition error were also investigated. After discussing these results, the remaining sources of error in our best calculations are examined.
Preliminary design, analysis, and costing of a dynamic scale model of the NASA space station
NASA Technical Reports Server (NTRS)
Gronet, M. J.; Pinson, E. D.; Voqui, H. L.; Crawley, E. F.; Everman, M. R.
1987-01-01
The difficulty of testing the next generation of large flexible space structures on the ground places an emphasis on other means for validating predicted on-orbit dynamic behavior. Scale model technology represents one way of verifying analytical predictions with ground test data. This study investigates the preliminary design, scaling and cost trades for a Space Station dynamic scale model. The scaling of nonlinear joint behavior is studied from theoretical and practical points of view. Suspension system interaction trades are conducted for the ISS Dual Keel Configuration and Build-Up Stages suspended in the proposed NASA/LaRC Large Spacecraft Laboratory. Key issues addressed are scaling laws, replication vs. simulation of components, manufacturing, suspension interactions, joint behavior, damping, articulation capability, and cost. These issues are the subject of parametric trades versus the scale model factor. The results of these detailed analyses are used to recommend scale factors for four different scale model options, each with varying degrees of replication. Potential problems in constructing and testing the scale model are identified, and recommendations for further study are outlined.
Geant4 hadronic physics for space radiation environment.
Ivantchenko, Anton V; Ivanchenko, Vladimir N; Molina, Jose-Manuel Quesada; Incerti, Sebastien L
2012-01-01
To test and to develop Geant4 (Geometry And Tracking version 4) Monte Carlo hadronic models with focus on applications in a space radiation environment. The Monte Carlo simulations have been performed using the Geant4 toolkit. Binary (BIC), its extension for incident light ions (BIC-ion) and Bertini (BERT) cascades were used as main Monte Carlo generators. For comparisons purposes, some other models were tested too. The hadronic testing suite has been used as a primary tool for model development and validation against experimental data. The Geant4 pre-compound (PRECO) and de-excitation (DEE) models were revised and improved. Proton, neutron, pion, and ion nuclear interactions were simulated with the recent version of Geant4 9.4 and were compared with experimental data from thin and thick target experiments. The Geant4 toolkit offers a large set of models allowing effective simulation of interactions of particles with matter. We have tested different Monte Carlo generators with our hadronic testing suite and accordingly we can propose an optimal configuration of Geant4 models for the simulation of the space radiation environment.
NASA Technical Reports Server (NTRS)
Nichols, M. E.
1976-01-01
The results are documented of jet plume effects wind tunnel test of the 0.020-scale 88-OTS launch configuration space shuttle vehicle model in the 11 x 11 foot leg of the NASA/Ames Research Center Unitary Plan Wind Tunnel. This test involved cold gas main propulsion system (MPS) and solid rocket motor (SRB) plume simulations at Mach numbers from 0.6 to 1.4. Integrated vehicle surface pressure distributions, elevon and rudder hinge moments, and wing and vertical tail root bending and torsional moments due to MPS and SRB plume interactions were determined. Nozzle power conditions were controlled per pretest nozzle calibrations. Model angle of attack was varied from -4 deg to +4 deg; model angle of sideslip was varied from -4 deg to +4 deg. Reynolds number was varied for certain test conditions and configurations, with the nominal freestream total pressure being 14.69 psia. Plotted force and pressure data are presented.
The Effect of Fatty Acids to Protect Forward Osmosis Membranes from Damage
NASA Technical Reports Server (NTRS)
Romero Mangado, Jaione; Parodi, Jurek; Stefanson, Ofir; Lathrop, Cooper; Lewis, Madeleine; Ferrara, Alessandro; Tatum, Simone; Flynn, Michael
2017-01-01
NASA has conducted research and development on forward osmosis (FO) membranes for wastewater reclamation in space since 1993. The lessons learned during operation of the International Space Station and FO based technologies on the ground taught us that reliability is a key limitation. Membranes are susceptible to organic fouling, oxidation and calcium scaling, and these factors tend to damage the membrane reducing their operating life and performance. The development of a Synthetic Biological Membrane (SBM), a membrane that mimics naturally occurring biological processes, will mitigate membrane damage and improve reliability. The SBM is a lipid-based membrane with a protective fatty acid layer configured for use in a FO water purification system. In this configuration, the protective layer on the surface of the lipid membrane is composed of fatty acids (FA). The FA interact with the chemicals found in the wastewater feed, and protect the membrane from damage. In this study, we conducted preliminary experiments to determine the feasibility of using fatty acids to alleviate damage from calcium scaling, oxidation and organic fouling.
Leder, Martin; Grossert, Christopher; Sitta, Lukas; Genske, Maximilian; Rosch, Achim; Weitz, Martin
2016-01-01
To describe a mobile defect in polyacetylene chains, Su, Schrieffer and Heeger formulated a model assuming two degenerate energy configurations that are characterized by two different topological phases. An immediate consequence was the emergence of a soliton-type edge state located at the boundary between two regions of different configurations. Besides giving first insights in the electrical properties of polyacetylene materials, interest in this effect also stems from its close connection to states with fractional charge from relativistic field theory. Here, using a one-dimensional optical lattice for cold rubidium atoms with a spatially chirped amplitude, we experimentally realize an interface between two spatial regions of different topological order in an atomic physics system. We directly observe atoms confined in the edge state at the intersection by optical real-space imaging and characterize the state as well as the size of the associated energy gap. Our findings hold prospects for the spectroscopy of surface states in topological matter and for the quantum simulation of interacting Dirac systems. PMID:27767054
Wang, Zhong L [Marietta, GA; Yang, Rusen [Atlanta, GA
2011-03-01
In a method of generating electricity, a plurality of living cells are grown on an array of piezoelectric nanowires so that the cells engage the piezoelectric nanowires. Induced static potentials are extracted from at least one of the piezoelectric nanowires when at least one of the cells deforms the at least one of the piezoelectric nanowires. A cell-driven electrical generator that includes a substrate and a plurality of spaced-apart piezoelectric nanowires disposed on the substrate. A plurality of spaced-apart conductive electrodes interact with the plurality of piezoelectric nanowires. A biological buffer layer that is configured to promote growth of cells is disposed on the substrate so that cells placed on the substrate will grow and engage the piezoelectric nanowires.
New insights into chromatin folding and dynamics from multi-scale modeling
NASA Astrophysics Data System (ADS)
Olson, Wilma
The dynamic organization of chromatin plays an essential role in the regulation of gene expression and in other fundamental cellular processes. The underlying physical basis of these activities lies in the sequential positioning, chemical composition, and intermolecular interactions of the nucleosomes-the familiar assemblies of roughly 150 DNA base pairs and eight histone proteins-found on chromatin fibers. We have developed a mesoscale model of short nucleosomal arrays and a computational framework that make it possible to incorporate detailed structural features of DNA and histones in simulations of short chromatin constructs with 3-25 evenly spaced nucleosomes. The correspondence between the predicted and observed effects of nucleosome composition, spacing, and numbers on long-range communication between regulatory proteins bound to the ends of designed nucleosome arrays lends credence to the model and to the molecular insights gleaned from the simulated structures. We have extracted effective nucleosome-nucleosome potentials from the mesoscale simulations and introduced the potentials in a larger scale computational treatment of regularly repeating chromatin fibers. Our results reveal a remarkable influence of nucleosome spacing on chromatin flexibility. Small changes in the length of the DNA fragments linking successive nucleosomes introduce marked changes in the local interactions of the nucleosomes and in the spatial configurations of the fiber as a whole. The changes in nucleosome positioning influence the statistical properties of longer chromatin constructs with 100-10,000 nucleosomes. We are investigating the extent to which the `local' interactions of regularly spaced nucleosomes contribute to the corresponding interactions in chains with mixed spacings as a step toward the treatment of fibers with nucleosomes positioned at the sites mapped at base-pair resolution on genomic sequences. Support of the work by USPHS R01 GM 34809 is gratefully acknowledged.
Electrospray performance of interacting multi-capillary emitters in a linear array
NASA Astrophysics Data System (ADS)
Kumar, V.; Srivastava, A.; Shanbhogue, K. M.; Ingersol, S.; Sen, A. K.
2018-03-01
Here, we report electrospray performance of multiple emitters (of internal diameter 200 µm) arranged in a linear (inline) array. For a fixed flow rate Q , at higher voltages {{V}a} , multi-jet mode is observed, which leads to a rapid increase in the spray current (I∼ {{V}a} ) as compared to the single cone-jet case (I∼ Va0.8 ). A theoretical model is presented that predicts (within 10% of experimental data) the divergence of sprays g(x) issued from a pair of interacting emitters due to the mutual Columbic interaction of space charges. The variation of onset voltage {{V}o} and spray current I with spacing between the emitters p is studied and it is found that {{V}o}∼ {{p}-0.2} and I∼ {{p}0.8} . The effect of the flow rate Q , voltage V and number of emitters ~n~ on the spray current I is investigated and it is found that I∼ {{Q}0.5} , I∼ Va0.8 and I∼ \\sqrt{n} . The present work provides insight regarding the behavior of interacting sprays in an inline configuration and could be significant in the design of multiple emitter systems for electrospray applications.
International Space Station Configuration Analysis and Integration
NASA Technical Reports Server (NTRS)
Anchondo, Rebekah
2016-01-01
Ambitious engineering projects, such as NASA's International Space Station (ISS), require dependable modeling, analysis, visualization, and robotics to ensure that complex mission strategies are carried out cost effectively, sustainably, and safely. Learn how Booz Allen Hamilton's Modeling, Analysis, Visualization, and Robotics Integration Center (MAVRIC) team performs engineering analysis of the ISS Configuration based primarily on the use of 3D CAD models. To support mission planning and execution, the team tracks the configuration of ISS and maintains configuration requirements to ensure operational goals are met. The MAVRIC team performs multi-disciplinary integration and trade studies to ensure future configurations meet stakeholder needs.
NASA Technical Reports Server (NTRS)
Hulka, J. R.
2010-01-01
Liquid rocket engines using oxygen and methane propellants are being considered by the National Aeronautics and Space Administration (NASA) for in-space vehicles. This propellant combination has not been previously used in a flight-qualified engine system, so limited test data and analysis results are available at this stage of early development. NASA has funded several hardware-oriented activities with oxygen and methane propellants over the past several years with the Propulsion and Cryogenic Advanced Development (PCAD) project, under the Exploration Technology Development Program. As part of this effort, the NASA Marshall Space Flight Center has conducted combustion stability analyses of several of the configurations. This paper presents test data and analyses of combustion stability from the recent PCAD-funded test programs at the NASA MSFC. These test programs used swirl coaxial element injectors with liquid oxygen and liquid methane propellants. Oxygen was injected conventionally in the center of the coaxial element, and swirl was provided by tangential entry slots. Injectors with 28-element and 40-element patterns were tested with several configurations of combustion chambers, including ablative and calorimeter spool sections, and several configurations of fuel injection design. Low frequency combustion instability (chug) occurred with both injectors, and high-frequency combustion instability occurred at the first tangential (1T) transverse mode with the 40-element injector. In most tests, a transition between high-amplitude chug with gaseous methane flow and low-amplitude chug with liquid methane flow was readily observed. Chug analyses of both conditions were conducted using techniques from Wenzel and Szuch and from the Rocket Combustor Interactive Design and Analysis (ROCCID) code. The 1T mode instability occurred in several tests and was apparent by high-frequency pressure measurements as well as dramatic increases in calorimeter-measured heat flux throughout the chamber. Analyses of the transverse mode were conducted with ROCCID and empirical methods such as Hewitt d/V. This paper describes the test hardware configurations, test data, analysis methods, and presents results of the various analyses.
Excitonic quantum interference in a quantum dot chain with rings.
Hong, Suc-Kyoung; Nam, Seog Woo; Yeon, Kyu-Hwang
2008-04-16
We demonstrate excitonic quantum interference in a closely spaced quantum dot chain with nanorings. In the resonant dipole-dipole interaction model with direct diagonalization method, we have found a peculiar feature that the excitation of specified quantum dots in the chain is completely inhibited, depending on the orientational configuration of the transition dipole moments and specified initial preparation of the excitation. In practice, these excited states facilitating quantum interference can provide a conceptual basis for quantum interference devices of excitonic hopping.
Initial data sets and the topology of closed three-manifolds in general relativity
NASA Astrophysics Data System (ADS)
Carfora, M.
1983-10-01
The interaction between the matter content of a closed physical space associated with a generic gravitational configuration and the topology of the underlying closed three-manifold is discussed. Within the context of the conformal approach to the initial value problem, it is shown that the presence of enough matter and radiation favors the three-sphere topology or the worm-hole topology. It is argued that such topologies leave more room for possible gravitational initial data sets for the field equations.
Physical meaning of two-particle HBT measurements in case of correlated emission
NASA Astrophysics Data System (ADS)
Bialas, A.; Zalewski, K.
2004-07-01
It is shown that, in the presence of correlations in particle emission, the measured HBT radii are related to the correlation range rather than to the size of the interaction volume. Only in the case of weak correlations the standard interpretation may be applicable. The earlier discussion [Phys. Rev. Lett. 68 (1992) 1109; Phys. Rev. C 49 (1994) 2722] of the short-range correlations in configuration space is generalized to include also the correlations of particle momenta.
Space station group activities habitability module study
NASA Technical Reports Server (NTRS)
Nixon, David
1986-01-01
This study explores and analyzes architectural design approaches for the interior of the Space Station Habitability Module (originally defined as Habitability Module 1 in Space Station Reference Configuration Decription, JSC-19989, August 1984). In the Research Phase, architectural program and habitability design guidelines are specified. In the Schematic Design Phase, a range of alternative concepts is described and illustrated with drawings, scale-model photographs and design analysis evaluations. Recommendations are presented on the internal architectural, configuration of the Space Station Habitability Module for such functions as the wardroom, galley, exercise facility, library and station control work station. The models show full design configurations for on-orbit performance.
NASA Astrophysics Data System (ADS)
Panuzzo, P.; Li, J.; Caux, E.
2012-09-01
The Herschel Interactive Processing Environment (HIPE) was developed by the European Space Agency (ESA) in collaboration with NASA and the Herschel Instrument Control Centres, to provide the astronomical community a complete environment to process and analyze the data gathered by the Herschel Space Observatory. One of the most important components of HIPE is the plotting system (named PlotXY) that we present here. With PlotXY it is possible to produce easily high quality publication-ready 2D plots. It provides a long list of features, with fully configurable components, and interactive zooming. The entire code of HIPE is written in Java and is open source released under the GNU Lesser General Public License version 3. A new version of PlotXY is being developed to be independent from the HIPE code base; it is available to the software development community for the inclusion in other projects at the URL http://code.google.com/p/jplot2d/.
Propulsion and airframe aerodynamic interactions of supersonic V/STOL configurations, phase 1
NASA Technical Reports Server (NTRS)
Mraz, M. R.; Hiley, P. E.
1985-01-01
A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to present two different test techniques. One was a coventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a subscale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously.
Dual redundant arm system operational quality measures and their applications - Dynamic measures
NASA Technical Reports Server (NTRS)
Lee, Sukhan; Kim, Sungbok
1990-01-01
Dual-arm dynamic operation quality measures are presented which quantify the efficiency and capability of generating Cartesian accelerations by two cooperative arms based on the analysis of dual-arm dynamic interactions. Dual-arm dynamic manipulability is defined as the efficiency of generating Cartesian accelerations under the dynamic and kinematic interactions between individual arms and an object under manipulation. The analysis of dual-arm dynamic interactions is based on the so-called Cartesian space agent model of an arm, which represents an individual arm as a force source acting upon a point mass with the effective Cartesian space arm dynamics and an environment or an object under manipulation. The Cartesian space agent model of an arm makes it possible to derive the dynamic and kinematic constraints involved in the transport, assembly and grasping modes of dual-arm cooperation. A task-oriented operational quality measure, (TOQd) is defined by evaluating dual-arm dynamic manipulability in terms of given task requirements. TOQd is used in dual-arm joint configuration optimization. Simulation results are shown. A complete set of forward dynamic equations for a dual-arm system is derived, and dual-arm dynamic operational quality measures for various modes of dual-arm cooperation allowing sliding contacts are established.
Short-cut Methods versus Rigorous Methods for Performance-evaluation of Distillation Configurations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ramapriya, Gautham Madenoor; Selvarajah, Ajiththaa; Jimenez Cucaita, Luis Eduardo
Here, this study demonstrates the efficacy of a short-cut method such as the Global Minimization Algorithm (GMA), that uses assumptions of ideal mixtures, constant molar overflow (CMO) and pinched columns, in pruning the search-space of distillation column configurations for zeotropic multicomponent separation, to provide a small subset of attractive configurations with low minimum heat duties. The short-cut method, due to its simplifying assumptions, is computationally efficient, yet reliable in identifying the small subset of useful configurations for further detailed process evaluation. This two-tier approach allows expedient search of the configuration space containing hundreds to thousands of candidate configurations for amore » given application.« less
Short-cut Methods versus Rigorous Methods for Performance-evaluation of Distillation Configurations
Ramapriya, Gautham Madenoor; Selvarajah, Ajiththaa; Jimenez Cucaita, Luis Eduardo; ...
2018-05-17
Here, this study demonstrates the efficacy of a short-cut method such as the Global Minimization Algorithm (GMA), that uses assumptions of ideal mixtures, constant molar overflow (CMO) and pinched columns, in pruning the search-space of distillation column configurations for zeotropic multicomponent separation, to provide a small subset of attractive configurations with low minimum heat duties. The short-cut method, due to its simplifying assumptions, is computationally efficient, yet reliable in identifying the small subset of useful configurations for further detailed process evaluation. This two-tier approach allows expedient search of the configuration space containing hundreds to thousands of candidate configurations for amore » given application.« less
NASA Astrophysics Data System (ADS)
Živković, Tomislav P.
1984-09-01
The configuration interaction (CI) space Xn built upon n electrons moving over 2n orthonormalized orbitals χi is considered. It is shown that the space Xn splits into two complementary subspaces X+n and X-n having special properties: each state Ψ+∈X+n and Ψ-∈X-n is ``alternantlike'' in the sense that it has a uniform charge density distribution over all orbitals χi and vanishing bond-orders between all orbitals of the same parity. In addition, matrix elements Γ(ij;kl) of a two-particle density matrix vanish whenever four distinct orbitals are involved and there is an odd number of orbitals of the same parity. Further, Γ(ij;lj)=γ(il)/4 ( j≠i,l), whenever (i) and (l) are of different parity. This last relation shows the connection between a two-particle (Γ) and a one-particle (γ) density matrix. ``Elementary'' alternant and antialternant operators are identified. These operators connect either only the states in the same subspace, or only the states in different subspaces, and each one- and two-particle symmetric operator can be represented by their linear combination. Alternant Hamiltonians, which can be represented as linear combinations of elementary alternant operators, have alternantlike eigenstates. It is also shown that each symmetric Hamiltonian possessing alternantlike eigenstates can be represented as such a linear combination. In particular, the PPP Hamiltonian describing an alternant hydrocarbon system is such a case. Complementary subspaces X+n and X-n can be explicitly constructed using the so-called regular resonance structures (RRS's) which are normalized determinants containing mutually disjunct bond orbitals. Expressions for the derivation of matrix elements of one- and two-particle operators between different RRS's are also derived.
Combustion of Interacting Droplet Arrays in a Microgravity Environment
NASA Technical Reports Server (NTRS)
Dietrich, D. L.; Struk, P. M.; Kitano, K.; Ikegami, M.
1999-01-01
Investigations into droplet interactions date back to Rex et al. Recently, Annamalai and Ryan and Annamalai published extensive reviews of droplet array and cloud combustion studies. The authors studied the change in the burning rate constant, k, (relative to that of the single droplet) that results from interactions. Under certain conditions, there exists a separation distance where the droplet lifetime reaches a minimum, or average burning rate constant is a maximum . Additionally, since inter-droplet separation distance, L, increases relative to the droplet size, D, as the burning proceeds, the burning rate is not constant throughout the burn, but changes continuously with time. Only Law and co-workers and Mikami et al. studied interactions under conditions where buoyant forces were negligible. Comparing their results with existing theory, Law and co-workers found that theory over predicted the persistency and intensity of droplet interactions. The droplet interactions also depended on the initial array configuration as well as the instantaneous array configuration. They also concluded that droplet heating was retarded due to interactions and that the burning process did not follow the "D-squared" law. Mikami et al. studied the combustion of a two-droplet array of heptane burning in air at one atm pressure in microgravity. They showed that the instantaneous burning rate constant increases throughout the droplet lifetime, even for a single droplet. Also, the burn time of the array reached a minimum at a critical inter-droplet spacing. In this article, we examine droplet interactions in normal and microgravity environments. The microgravity experiments were in the NASA GRC 2.2 and 5.2 second drop towers, and the JAMIC (Japan Microgravity Center) 10 second drop tower. Special emphasis is directed to combustion under conditions that yield finite extinction diameters, and to determine how droplet interactions affect the extinction process.
Theophilou, Iris; Lathiotakis, Nektarios N; Helbig, Nicole
2018-03-21
We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."
An ab initio study of the C3(+) cation using multireference methods
NASA Technical Reports Server (NTRS)
Taylor, Peter R.; Martin, J. M. L.; Francois, J. P.; Gijbels, R.
1991-01-01
The energy difference between the linear 2 sigma(sup +, sub u) and cyclic 2B(sub 2) structures of C3(+) has been investigated using large (5s3p2d1f) basis sets and multireference electron correlation treatments, including complete active space self consistent fields (CASSCF), multireference configuration interaction (MRCI), and averaged coupled-pair functional (ACPF) methods, as well as the single-reference quadratic configuration interaction (QCISD(T)) method. Our best estimate, including a correction for basis set incompleteness, is that the linear form lies above the cyclic from by 5.2(+1.5 to -1.0) kcal/mol. The 2 sigma(sup +, sub u) state is probably not a transition state, but a local minimum. Reliable computation of the cyclic/linear energy difference in C3(+) is extremely demanding of the electron correlation treatment used: of the single-reference methods previously considered, CCSD(T) and QCISD(T) perform best. The MRCI + Q(0.01)/(4s2p1d) energy separation of 1.68 kcal/mol should provide a comparison standard for other electron correlation methods applied to this system.
Semiempirical UNO-CAS and UNO-CI: method and applications in nanoelectronics.
Dral, Pavlo O; Clark, Timothy
2011-10-20
Unrestricted Natural Orbital-Complete Active Space Configuration Interaction, abbreviated as UNO-CAS, has been implemented for NDDO-based semiempirical molecular-orbital (MO) theory. A computationally more economic technique, UNO-CIS, in which we use a configuration interaction (CI) calculation with only single excitations (CIS) to calculate excited states, has also been implemented and tested. The class of techniques in which unrestricted natural orbitals (UNOs) are used as the reference for CI calculations is denoted UNO-CI. Semiempirical UNO-CI gives good results for the optical band gaps of organic semiconductors such as polyynes and polyacenes, which are promising materials for nanoelectronics. The results of these semiempirical UNO-CI techniques are generally in better agreement with experiment than those obtained with the corresponding conventional semiempirical CI methods and comparable to or better than those obtained with far more computationally expensive methods such as time-dependent density-functional theory. We also show that symmetry breaking in semiempirical UHF calculations is very useful for predicting the diradical character of organic compounds in the singlet spin state.
Conceptual Design of Tail-Research EXperiment (T-REX) on Space Plasma Environment Research Facility
NASA Astrophysics Data System (ADS)
Xiao, Qingmei; Wang, Xiaogang; E, Peng; Shen, Chao; Wang, Zhibin; Mao, Aohua; Xiao, Chijie; Ding, Weixing; Ji, Hantao; Ren, Yang
2016-10-01
Space Environment Simulation Research Infrastructure (SESRI), a scientific project for a major national facility of fundamental researches, has recently been launched at Harbin Institute of Technology (HIT). The Space Plasma Environment Research Facility (SPERF) for simulation of space plasma environment is one of the components of SESRI. It is designed to investigate fundamental issues in space plasma environment, such as energetic particles transportation and the interaction with waves in magnetosphere, magnetic reconnection at magnetopause and magnetotail, etc. Tail-Research Experiment (T-REX) is part of the SPERF for laboratory studies of space physics relevant to tail reconnection and dipolarization process. T-REX is designed to carry out two kinds of experiments: the tail plasmamoid for magnetic reconnection and magnetohydrodynamic waves excited by high speed plasma jet. In this presentation, the scientific goals and experimental plans for T-REX together with the means applied to generate the plasma with desired parameters are reviewed. Two typical scenarios of T-REX with operations of plasma sources and various magnetic configurations to study specific physical processes in space plasmas will also be presented.
NASA Technical Reports Server (NTRS)
Park, K. C.; Alvin, K. F.; Belvin, W. Keith
1991-01-01
A second-order form of discrete Kalman filtering equations is proposed as a candidate state estimator for efficient simulations of control-structure interactions in coupled physical coordinate configurations as opposed to decoupled modal coordinates. The resulting matrix equation of the present state estimator consists of the same symmetric, sparse N x N coupled matrices of the governing structural dynamics equations as opposed to unsymmetric 2N x 2N state space-based estimators. Thus, in addition to substantial computational efficiency improvement, the present estimator can be applied to control-structure design optimization for which the physical coordinates associated with the mass, damping and stiffness matrices of the structure are needed instead of modal coordinates.
NASA Astrophysics Data System (ADS)
Sakuraba, Takao
The approach to quantum physics via current algebra and unitary representations of the diffeomorphism group is established. This thesis studies possible infinite Bose gas systems using this approach. Systems of locally finite configurations and systems of configurations with accumulation points are considered, with the main emphasis on the latter. In Chapter 2, canonical quantization, quantization via current algebra and unitary representations of the diffeomorphism group are reviewed. In Chapter 3, a new definition of the space of configurations is proposed and an axiom for general configuration spaces is abstracted. Various subsets of the configuration space, including those specifying the number of points in a Borel set and those specifying the number of accumulation points in a Borel set are proved to be measurable using this axiom. In Chapter 4, known results on the space of locally finite configurations and Poisson measure are reviewed in the light of the approach developed in Chapter 3, including the approach to current algebra in the Poisson space by Albeverio, Kondratiev, and Rockner. Goldin and Moschella considered unitary representations of the group of diffeomorphisms of the line based on self-similar random processes, which may describe infinite quantum gas systems with clusters. In Chapter 5, the Goldin-Moschella theory is developed further. Their construction of measures quasi-invariant under diffeomorphisms is reviewed, and a rigorous proof of their conjectures is given. It is proved that their measures with distinct correlation parameters are mutually singular. A quasi-invariant measure constructed by Ismagilov on the space of configurations with accumulation points on the circle is proved to be singular with respect to the Goldin-Moschella measures. Finally a generalization of the Goldin-Moschella measures to the higher-dimensional case is studied, where the notion of covariance matrix and the notion of condition number play important roles. A rigorous construction of measures quasi-invariant under the group of diffeomorphisms of d-dimensional space stabilizing a point is given.
NASA Astrophysics Data System (ADS)
Lehtola, Susi; Tubman, Norm M.; Whaley, K. Birgitta; Head-Gordon, Martin
2017-10-01
Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size, thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI calculation is a weighted set of electronic configurations, which can also be expressed in terms of excitations from a reference configuration. The excitation amplitudes contain information on the complexity of the electronic wave function, but this information is contaminated by contributions from disconnected excitations, i.e., those excitations that are just products of independent lower-level excitations. The unwanted contributions can be removed via a cluster decomposition procedure, making it possible to examine the importance of connected excitations in complicated multireference molecules which are outside the reach of conventional algorithms. We present an implementation of the cluster decomposition analysis and apply it to both true FCI wave functions, as well as wave functions generated from the adaptive sampling CI algorithm. The cluster decomposition is useful for interpreting calculations in chemical studies, as a diagnostic for the convergence of various excitation manifolds, as well as as a guidepost for polynomially scaling electronic structure models. Applications are presented for (i) the double dissociation of water, (ii) the carbon dimer, (iii) the π space of polyacenes, and (iv) the chromium dimer. While the cluster amplitudes exhibit rapid decay with an increasing rank for the first three systems, even connected octuple excitations still appear important in Cr2, suggesting that spin-restricted single-reference coupled-cluster approaches may not be tractable for some problems in transition metal chemistry.
Kuipers configures the GCP in the ATV-3
2012-04-06
ISS030-E-210829 (6 April 2012) --- European Space Agency astronaut Andre Kuipers, Expedition 30 flight engineer, configures the Gas Control Panel (GCP) in the Automated Transfer Vehicle (ATV-3) currently docked with the International Space Station.
Kuipers configures the GCP in the ATV-3
2012-04-06
ISS030-E-210810 (6 April 2012) --- European Space Agency astronaut Andre Kuipers, Expedition 30 flight engineer, configures the Gas Control Panel (GCP) in the Automated Transfer Vehicle (ATV-3) currently docked with the International Space Station.
NASA Technical Reports Server (NTRS)
Gavert, Raymond B.
1990-01-01
Some experiences of NASA configuration management in providing concurrent engineering support to the Space Station Freedom program for the achievement of life cycle benefits and total quality are discussed. Three change decision experiences involving tracing requirements and automated information systems of the electrical power system are described. The potential benefits of concurrent engineering and total quality management include improved operational effectiveness, reduced logistics and support requirements, prevention of schedule slippages, and life cycle cost savings. It is shown how configuration management can influence the benefits attained through disciplined approaches and innovations that compel consideration of all the technical elements of engineering and quality factors that apply to the program development, transition to operations and in operations. Configuration management experiences involving the Space Station program's tiered management structure, the work package contractors, international partners, and the participating NASA centers are discussed.
NASA Technical Reports Server (NTRS)
Parlos, Alexander G.; Sunkel, John W.
1990-01-01
An attitude-control and momentum-management (ACMM) system for the Space Station in a large-angle torque-equilibrium-attitude (TEA) configuration is developed analytically and demonstrated by means of numerical simulations. The equations of motion for a rigid-body Space Station model are outlined; linearized equations for an arbitrary TEA (resulting from misalignment of control and body axes) are derived; the general requirements for an ACMM are summarized; and a pole-placement linear-quadratic regulator solution based on scheduled gains is proposed. Results are presented in graphs for (1) simulations based on configuration MB3 (showing the importance of accounting for the cross-inertia terms in the TEA estimate) and (2) simulations of a stepwise change from configuration MB3 to the 'assembly complete' stage over 130 orbits (indicating that the present ACCM scheme maintains sufficient control over slowly varying Space Station dynamics).
Analysis of dark matter axion clumps with spherical symmetry
NASA Astrophysics Data System (ADS)
Schiappacasse, Enrico D.; Hertzberg, Mark P.
2018-01-01
Recently there has been much interest in the spatial distribution of light scalar dark matter, especially axions, throughout the universe. When the local gravitational interactions between the scalar modes are sufficiently rapid, it can cause the field to re-organize into a BEC of gravitationally bound clumps. While these clumps are stable when only gravitation is included, the picture is complicated by the presence of the axion's attractive self-interactions, which can potentially cause the clumps to collapse. Here we perform a detailed stability analysis to determine under what conditions the clumps are stable. In this paper we focus on spherical configurations, leaving aspherical configurations for future work. We identify branches of clump solutions of the axion-gravity-self-interacting system and study their stability properties. We find that clumps that are (spatially) large are stable, while clumps that are (spatially) small are unstable and may collapse. Furthermore, there is a maximum number of particles that can be in a clump. We map out the full space of solutions, which includes quasi-stable axitons, and clarify how a recent claim in the literature of a new ultra-dense branch of stable solutions rests on an invalid use of the non-relativistic approximation. We also consider repulsive self-interactions that may arise from a generic scalar dark matter candidate, finding a single stable branch that extends to arbitrary particle number.
Electrohydrodynamic interaction of spherical particles under Quincke rotation.
Das, Debasish; Saintillan, David
2013-04-01
Weakly conducting dielectric particles suspended in a dielectric liquid of higher conductivity can undergo a transition to spontaneous sustained rotation when placed in a sufficiently strong dc electric field. This phenomenon of Quincke rotation has interesting implications for the rheology of these suspensions, whose effective viscosity can be controlled and reduced by application of an external field. While previous models based on the rotation of isolated particles have provided accurate estimates for this viscosity reduction in dilute suspensions, discrepancies have been reported in more concentrated systems where particle-particle interactions are likely significant. Motivated by this observation, we extend the classic description of Quincke rotation based on the Taylor-Melcher leaky dielectric model to account for pair electrohydrodynamic interactions between two identical spheres using the method of reflections. A coupled system of evolution equations for the dipole moments and angular velocities of the spheres is derived that accounts for electric dipole-dipole interactions and hydrodynamic rotlet interactions up to order O(R(-5)), where R is the separation distance between the spheres. A linear stability analysis of this system shows that interactions modify the value of the critical electric field for the onset of Quincke rotation: both electric and hydrodynamic interactions can either stabilize or destabilize the system depending on the orientation of the spheres, but the leading effect of interactions on the onset of rotation is hydrodynamic. We also analyze the dynamics in the nonlinear regime by performing numerical simulations of the governing equations. In the case of a pair of spheres that are fixed in space, we find that particle rotations always synchronize in magnitude at long times, though the directions of rotation of the spheres need not be the same. The steady-state angular velocity magnitude depends on the configuration of the spheres and electric field strength and agrees very well with an asymptotic estimate derived for corotating spheres. In the case of freely-suspended spheres, dipolar interactions are observed to lead to a number of distinct behaviors depending on the initial relative configuration of the spheres and on any infinitesimal initial perturbation introduced in the system: in some cases the spheres slowly separate in space while steadily rotating, while in other cases they pair up and either corotate or counterrotate depending on their orientation relative to the field.
Electrohydrodynamic interaction of spherical particles under Quincke rotation
NASA Astrophysics Data System (ADS)
Das, Debasish; Saintillan, David
2013-04-01
Weakly conducting dielectric particles suspended in a dielectric liquid of higher conductivity can undergo a transition to spontaneous sustained rotation when placed in a sufficiently strong dc electric field. This phenomenon of Quincke rotation has interesting implications for the rheology of these suspensions, whose effective viscosity can be controlled and reduced by application of an external field. While previous models based on the rotation of isolated particles have provided accurate estimates for this viscosity reduction in dilute suspensions, discrepancies have been reported in more concentrated systems where particle-particle interactions are likely significant. Motivated by this observation, we extend the classic description of Quincke rotation based on the Taylor-Melcher leaky dielectric model to account for pair electrohydrodynamic interactions between two identical spheres using the method of reflections. A coupled system of evolution equations for the dipole moments and angular velocities of the spheres is derived that accounts for electric dipole-dipole interactions and hydrodynamic rotlet interactions up to order O(R-5), where R is the separation distance between the spheres. A linear stability analysis of this system shows that interactions modify the value of the critical electric field for the onset of Quincke rotation: both electric and hydrodynamic interactions can either stabilize or destabilize the system depending on the orientation of the spheres, but the leading effect of interactions on the onset of rotation is hydrodynamic. We also analyze the dynamics in the nonlinear regime by performing numerical simulations of the governing equations. In the case of a pair of spheres that are fixed in space, we find that particle rotations always synchronize in magnitude at long times, though the directions of rotation of the spheres need not be the same. The steady-state angular velocity magnitude depends on the configuration of the spheres and electric field strength and agrees very well with an asymptotic estimate derived for corotating spheres. In the case of freely-suspended spheres, dipolar interactions are observed to lead to a number of distinct behaviors depending on the initial relative configuration of the spheres and on any infinitesimal initial perturbation introduced in the system: in some cases the spheres slowly separate in space while steadily rotating, while in other cases they pair up and either corotate or counterrotate depending on their orientation relative to the field.
NASA Technical Reports Server (NTRS)
Zilz, D. E.; Wallace, H. W.; Hiley, P. E.
1985-01-01
A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to represent two different test techniques. One was a conventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a sub-scale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously. This is Volume 4 of 4: Final Report- Summary.
NASA Technical Reports Server (NTRS)
Houlihan, S. R.
1975-01-01
Experimental aerodynamic investigations were conducted on a dual-strut mounted 0.0405-scale representation of the 140A/B outer mold line space shuttle orbiter vehicle. The tests, conducted from 11 Oct., 1974 through 22 Oct., 1974, were primarily to investigate aerodynamic stability and control characteristics of the space shuttle orbiter ferry configuration. Four afterbody fairing configurations and various additions to them in the form of horizontal and ventral fins strakes and other aerodynamic protuberances were tested. Base line data on the basic orbiter with MPS nozzles and bodyflap were recorded. The drag of the optimum ferry configuration was increased to the level of the basic orbiter for possible flight test configurations by the addition of two sizes of perforated speed brakes on the tail cone surface.
Space shuttle configuration accounting functional design specification
NASA Technical Reports Server (NTRS)
1974-01-01
An analysis is presented of the requirements for an on-line automated system which must be capable of tracking the status of requirements and engineering changes and of providing accurate and timely records. The functional design specification provides the definition, description, and character length of the required data elements and the interrelationship of data elements to adequately track, display, and report the status of active configuration changes. As changes to the space shuttle program levels II and III configuration are proposed, evaluated, and dispositioned, it is the function of the configuration management office to maintain records regarding changes to the baseline and to track and report the status of those changes. The configuration accounting system will consist of a combination of computers, computer terminals, software, and procedures, all of which are designed to store, retrieve, display, and process information required to track proposed and proved engineering changes to maintain baseline documentation of the space shuttle program levels II and III.
NASA Technical Reports Server (NTRS)
Gatos, H. C.; Lagowski, J.; Wu, Y.
1988-01-01
A partially confined configuration for the growth of GaAs from melt in space was developed, consisting of a triangular prism containing the seed crystal and source material in the form of a rod. It is suggested that the configuration overcomes two obstacles in the growth of GaAs in space: total confinement in a quartz crucible and lack of arsenic pressure control. Ground tests of the configuration show that it is capable of crystal growth in space and is useful for studying the growth of GaAs from a free-surface melt on earth. The resulting chemical composition, electrical property variations, and phenomenological models to account for the results are presented.
NASA Astrophysics Data System (ADS)
Grandi, C.; Italiano, A.; Salomoni, D.; Calabrese Melcarne, A. K.
2011-12-01
WNoDeS, an acronym for Worker Nodes on Demand Service, is software developed at CNAF-Tier1, the National Computing Centre of the Italian Institute for Nuclear Physics (INFN) located in Bologna. WNoDeS provides on demand, integrated access to both Grid and Cloud resources through virtualization technologies. Besides the traditional use of computing resources in batch mode, users need to have interactive and local access to a number of systems. WNoDeS can dynamically select these computers instantiating Virtual Machines, according to the requirements (computing, storage and network resources) of users through either the Open Cloud Computing Interface API, or through a web console. An interactive use is usually limited to activities in user space, i.e. where the machine configuration is not modified. In some other instances the activity concerns development and testing of services and thus implies the modification of the system configuration (and, therefore, root-access to the resource). The former use case is a simple extension of the WNoDeS approach, where the resource is provided in interactive mode. The latter implies saving the virtual image at the end of each user session so that it can be presented to the user at subsequent requests. This work describes how the LHC experiments at INFN-Bologna are testing and making use of these dynamically created ad-hoc machines via WNoDeS to support flexible, interactive analysis and software development at the INFN Tier-1 Computing Centre.
Decay of ultralight axion condensates
Eby, Joshua; Ma, Michael; Suranyi, Peter; ...
2018-01-15
Axion particles can form macroscopic condensates, whose size can be galactic in scale for models with very small axion massesmore » $$m\\sim10^{-22}$$ eV, and which are sometimes referred to under the name of Fuzzy Dark Matter. Many analyses of these condensates are done in the non-interacting limit, due to the weakness of the self-interaction coupling of axions. We investigate here how certain results change upon inclusion of these interactions, finding a decreased maximum mass and a modified mass-radius relationship. Further, these condensates are, in general, unstable to decay through number-changing interactions. We analyze the stability of galaxy-sized condensates of axion-like particles, and sketch the parameter space of stable configurations as a function of a binding energy parameter. As a result, we find a strong lower bound on the size of Fuzzy Dark Matter condensates which are stable to decay, with lifetimes longer than the age of the universe.« less
Decay of ultralight axion condensates
DOE Office of Scientific and Technical Information (OSTI.GOV)
Eby, Joshua; Ma, Michael; Suranyi, Peter
Axion particles can form macroscopic condensates, whose size can be galactic in scale for models with very small axion massesmore » $$m\\sim10^{-22}$$ eV, and which are sometimes referred to under the name of Fuzzy Dark Matter. Many analyses of these condensates are done in the non-interacting limit, due to the weakness of the self-interaction coupling of axions. We investigate here how certain results change upon inclusion of these interactions, finding a decreased maximum mass and a modified mass-radius relationship. Further, these condensates are, in general, unstable to decay through number-changing interactions. We analyze the stability of galaxy-sized condensates of axion-like particles, and sketch the parameter space of stable configurations as a function of a binding energy parameter. As a result, we find a strong lower bound on the size of Fuzzy Dark Matter condensates which are stable to decay, with lifetimes longer than the age of the universe.« less
CFD mixing analysis of axially opposed rows of jets injected into confined crossflow
NASA Technical Reports Server (NTRS)
Bain, D. B.; Smith, C. E.; Holdeman, J. D.
1993-01-01
A computational fluid dynamics (CFD) parametric study was performed to analyze axially opposed rows of jets mixing with crossflow in a rectangular duct. Isothermal analysis was conducted to determine the influence of lateral geometric arrangement on mixing. Two lateral arrangements were analyzed: (1) inline (jets' centerlines aligned with each other on top and bottom walls), and (2) staggered (jets' centerlines offset with each other on top and bottom walls). For a jet-to-mainstream mass flow ratio (MR) of 2.0, design parameters were systematically varied for jet-to-mainstream momentum-flux ratios (J) between 16 and 64 and orifice spacing-to-duct height ratios (S/H) between 0.125 and 1.5. Comparisons were made between geometries optimized for S/H at a specified J. Inline configurations had a unique spacing for best mixing at a specified J. In contrast, staggered configurations had two 'good mixing' spacings for each J, one corresponding to optimum inline spacing and the other corresponding to optimum non-impinging jet spacing. The inline configurations, due to their smaller orifice size at optimum S/H, produced better initial mixing characteristics. At downstream locations (e.g. x/H of 1.5), the optimum non-impinging staggered configuration produced better mixing than the optimum inline configuration for J of 64; the opposite results were observed for J of 16. Increasing J resulted in better mixing characteristics if each configuration was optimized with respect to orifice spacing. Mixing performance was shown to be similar to results from previous dilution jet mixing investigations (MR less than 0.5).
Montanino, A; Fortunato, A; Angelillo, M
2016-07-01
In this paper, we study the fluid-structure interaction in a weakened basilar artery. The aim is to study how the wall shear stress changes in space and time because of the weakening, because spatial and temporal changes are thought to be possible causes of aneurysm and vascular deseases. The arterial wall, in its natural configuration, is modeled as a hyperelastic cylinder, inhomogeneous along its axis, in order to simulate the axis-symmetric weakening. The fluid is studied exploiting a recent approach for quasi-one-dimensional flows in slowly varying ducts, which allows to write the averaged equations of mass and energy balance on the basis of the velocity profile in a straight duct. The unknowns are the wall pressure, the average velocity, and the wall radial displacement. The problem is solved in two parts: first, the stationary non-linear coupled problem is solved, and an intermediate configuration is obtained. Then, we study the variation of the basic unknowns about the intermediate configuration, considering time dependence over the cardiac cycles. The results suggest that, with a 10% reduction of the main elastic modulus, the shear stress in the weakened zone changes its sign and doubles the maximum stress value detected in the healthy zone. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.
The choice of product indicators in latent variable interaction models: post hoc analyses.
Foldnes, Njål; Hagtvet, Knut Arne
2014-09-01
The unconstrained product indicator (PI) approach is a simple and popular approach for modeling nonlinear effects among latent variables. This approach leaves the practitioner to choose the PIs to be included in the model, introducing arbitrariness into the modeling. In contrast to previous Monte Carlo studies, we evaluated the PI approach by 3 post hoc analyses applied to a real-world case adopted from a research effort in social psychology. The measurement design applied 3 and 4 indicators for the 2 latent 1st-order variables, leaving the researcher with a choice among more than 4,000 possible PI configurations. Sixty so-called matched-pair configurations that have been recommended in previous literature are of special interest. In the 1st post hoc analysis we estimated the interaction effect for all PI configurations, keeping the real-world sample fixed. The estimated interaction effect was substantially affected by the choice of PIs, also across matched-pair configurations. Subsequently, a post hoc Monte Carlo study was conducted, with varying sample sizes and data distributions. Convergence, bias, Type I error and power of the interaction test were investigated for each matched-pair configuration and the all-pairs configuration. Variation in estimates across matched-pair configurations for a typical sample was substantial. The choice of specific configuration significantly affected convergence and the interaction test's outcome. The all-pairs configuration performed overall better than the matched-pair configurations. A further advantage of the all-pairs over the matched-pairs approach is its unambiguity. The final study evaluates the all-pairs configuration for small sample sizes and compares it to the non-PI approach of latent moderated structural equations. PsycINFO Database Record (c) 2014 APA, all rights reserved.
NASA Technical Reports Server (NTRS)
Bair, E. K.
1986-01-01
The System Trades Study and Design Methodology Plan is used to conduct trade studies to define the combination of Space Shuttle Main Engine features that will optimize candidate engine configurations. This is accomplished by using vehicle sensitivities and engine parametric data to establish engine chamber pressure and area ratio design points for candidate engine configurations. Engineering analyses are to be conducted to refine and optimize the candidate configurations at their design points. The optimized engine data and characteristics are then evaluated and compared against other candidates being considered. The Evaluation Criteria Plan is then used to compare and rank the optimized engine configurations on the basis of cost.
Distance between configurations in Markov chain Monte Carlo simulations
NASA Astrophysics Data System (ADS)
Fukuma, Masafumi; Matsumoto, Nobuyuki; Umeda, Naoya
2017-12-01
For a given Markov chain Monte Carlo algorithm we introduce a distance between two configurations that quantifies the difficulty of transition from one configuration to the other configuration. We argue that the distance takes a universal form for the class of algorithms which generate local moves in the configuration space. We explicitly calculate the distance for the Langevin algorithm, and show that it certainly has desired and expected properties as distance. We further show that the distance for a multimodal distribution gets dramatically reduced from a large value by the introduction of a tempering method. We also argue that, when the original distribution is highly multimodal with large number of degenerate vacua, an anti-de Sitter-like geometry naturally emerges in the extended configuration space.
Space Shuttle aerothermodynamic data report, phase C
NASA Technical Reports Server (NTRS)
1985-01-01
Space shuttle aerothermodynamic data, collected from a continuing series of wind tunnel tests, are permanently stored with the Data Management Services (DMS) system. Information pertaining to current baseline configuration definition is also stored. Documentation of DMS processed data arranged sequentially and by space shuttle configuration are included. An up-to-date record of all applicable aerothermodynamic data collected, processed, or summarized during the space shuttle program is provided. Tables are designed to provide suvery information to the various space shuttle managerial and technical levels.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhu, Xiaolei, E-mail: virtualzx@gmail.com; Yarkony, David R., E-mail: yarkony@jhu.edu
2014-01-14
A recently reported algorithm for representing adiabatic states coupled by conical intersections using a quasi-diabatic state Hamiltonian in four and five atom systems is extended to treat nonadiabatic processes in considerably larger molecules. The method treats all internal degrees of freedom and uses electronic structure data from ab initio multireference configuration interaction wave functions with nuclear configuration selection based on quasi-classical surface hopping trajectories. The method is shown here to be able to treat ∼30 internal degrees of freedom including dissociative and large amplitude internal motion. Two procedures are introduced which are essential to the algorithm, a null space projectormore » which removes basis functions from the fitting process until they are needed and a partial diagonalization technique which allows for automated, but accurate, treatment of the vicinity of extended seams of conical intersections of two or more states. These procedures are described in detail. The method is illustrated using the photodissociaton of phenol, C{sub 6}H{sub 5}OH(X{sup ~1}A{sup ′}) + hv → C{sub 6}H{sub 5}OH(A{sup ~1}A{sup ′}, B{sup ~1}A{sup ′′}) → C{sub 6}H{sub 5}O(X{sup ~2}B{sub 1}, A{sup ~2}B{sub 2}) + H as a test case. Ab initio electronic structure data for the 1,2,3{sup 1}A states of phenol, which are coupled by conical intersections, are obtained from multireference first order configuration interaction wave functions. The design of bases to simultaneously treat large amplitude motion and dissociation is described, as is the ability of the fitting procedure to smooth the irregularities in the electronic energies attributable to the orbital changes that are inherent to nonadiabatic processes.« less
Analysis of a rotating advanced-technology space station for the year 2025
NASA Technical Reports Server (NTRS)
Queijo, M. J.; Butterfield, A. J.; Cuddihy, W. F.; King, C. B.; Stone, R. W.; Garn, P. A.
1988-01-01
An analysis is made of several aspects of an advanced-technology rotating space station configuration generated under a previous study. The analysis includes examination of several modifications of the configuration, interface with proposed launch systems, effects of low-gravity environment on human subjects, and the space station assembly sequence. Consideration was given also to some aspects of space station rotational dynamics, surface charging, and the possible application of tethers.
Mimet, Anne; Pellissier, Vincent; Houet, Thomas; Julliard, Romain; Simon, Laurent
2016-01-01
Space-for-time substitution-that is, the assumption that spatial variations of a system can explain and predict the effect of temporal variations-is widely used in ecology. However, it is questionable whether it can validly be used to explain changes in biodiversity over time in response to land-cover changes. Here, we hypothesize that different temporal vs spatial trajectories of landscape composition and configuration may limit space-for-time substitution in landscape ecology. Land-cover conversion changes not just the surface areas given over to particular types of land cover, but also affects isolation, patch size and heterogeneity. This means that a small change in land cover over time may have only minor repercussions on landscape composition but potentially major consequences for landscape configuration. Using land-cover maps of the Paris region for 1982 and 2003, we made a holistic description of the landscape disentangling landscape composition from configuration. After controlling for spatial variations, we analyzed and compared the amplitudes of changes in landscape composition and configuration over time. For comparable spatial variations, landscape configuration varied more than twice as much as composition over time. Temporal changes in composition and configuration were not always spatially matched. The fact that landscape composition and configuration do not vary equally in space and time calls into question the use of space-for-time substitution in landscape ecology studies. The instability of landscapes over time appears to be attributable to configurational changes in the main. This may go some way to explaining why the landscape variables that account for changes over time in biodiversity are not the same ones that account for the spatial distribution of biodiversity.
Mimet, Anne; Pellissier, Vincent; Houet, Thomas; Julliard, Romain; Simon, Laurent
2016-01-01
Background Space-for-time substitution—that is, the assumption that spatial variations of a system can explain and predict the effect of temporal variations—is widely used in ecology. However, it is questionable whether it can validly be used to explain changes in biodiversity over time in response to land-cover changes. Hypothesis Here, we hypothesize that different temporal vs spatial trajectories of landscape composition and configuration may limit space-for-time substitution in landscape ecology. Land-cover conversion changes not just the surface areas given over to particular types of land cover, but also affects isolation, patch size and heterogeneity. This means that a small change in land cover over time may have only minor repercussions on landscape composition but potentially major consequences for landscape configuration. Methods Using land-cover maps of the Paris region for 1982 and 2003, we made a holistic description of the landscape disentangling landscape composition from configuration. After controlling for spatial variations, we analyzed and compared the amplitudes of changes in landscape composition and configuration over time. Results For comparable spatial variations, landscape configuration varied more than twice as much as composition over time. Temporal changes in composition and configuration were not always spatially matched. Significance The fact that landscape composition and configuration do not vary equally in space and time calls into question the use of space-for-time substitution in landscape ecology studies. The instability of landscapes over time appears to be attributable to configurational changes in the main. This may go some way to explaining why the landscape variables that account for changes over time in biodiversity are not the same ones that account for the spatial distribution of biodiversity. PMID:26959363
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bobrov, A. A.; Boyarinov, V. F.; Glushkov, A. E.
2012-07-01
Results of critical experiments performed at five ASTRA facility configurations modeling the high-temperature helium-cooled graphite-moderated reactors are presented. Results of experiments on definition of space distribution of {sup 235}U fission reaction rate performed at four from these five configurations are presented more detail. Analysis of available information showed that all experiments on criticality at these five configurations are acceptable for use them as critical benchmark experiments. All experiments on definition of space distribution of {sup 235}U fission reaction rate are acceptable for use them as physical benchmark experiments. (authors)
Planning additional drilling campaign using two-space genetic algorithm: A game theoretical approach
NASA Astrophysics Data System (ADS)
Kumral, Mustafa; Ozer, Umit
2013-03-01
Grade and tonnage are the most important technical uncertainties in mining ventures because of the use of estimations/simulations, which are mostly generated from drill data. Open pit mines are planned and designed on the basis of the blocks representing the entire orebody. Each block has different estimation/simulation variance reflecting uncertainty to some extent. The estimation/simulation realizations are submitted to mine production scheduling process. However, the use of a block model with varying estimation/simulation variances will lead to serious risk in the scheduling. In the medium of multiple simulations, the dispersion variances of blocks can be thought to regard technical uncertainties. However, the dispersion variance cannot handle uncertainty associated with varying estimation/simulation variances of blocks. This paper proposes an approach that generates the configuration of the best additional drilling campaign to generate more homogenous estimation/simulation variances of blocks. In other words, the objective is to find the best drilling configuration in such a way as to minimize grade uncertainty under budget constraint. Uncertainty measure of the optimization process in this paper is interpolation variance, which considers data locations and grades. The problem is expressed as a minmax problem, which focuses on finding the best worst-case performance i.e., minimizing interpolation variance of the block generating maximum interpolation variance. Since the optimization model requires computing the interpolation variances of blocks being simulated/estimated in each iteration, the problem cannot be solved by standard optimization tools. This motivates to use two-space genetic algorithm (GA) approach to solve the problem. The technique has two spaces: feasible drill hole configuration with minimization of interpolation variance and drill hole simulations with maximization of interpolation variance. Two-space interacts to find a minmax solution iteratively. A case study was conducted to demonstrate the performance of approach. The findings showed that the approach could be used to plan a new drilling campaign.
NASA Technical Reports Server (NTRS)
Zilz, D. E.; Devereaux, P. A.
1985-01-01
A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to represent two different test techniques. One was a conventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a sub-scale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously. This is Volume 1 of 2: Wind Tunnel Test Pressure Data Report.
Real-space identification of intermolecular bonding with atomic force microscopy.
Zhang, Jun; Chen, Pengcheng; Yuan, Bingkai; Ji, Wei; Cheng, Zhihai; Qiu, Xiaohui
2013-11-01
We report a real-space visualization of the formation of hydrogen bonding in 8-hydroxyquinoline (8-hq) molecular assemblies on a Cu(111) substrate, using noncontact atomic force microscopy (NC-AFM). The atomically resolved molecular structures enable a precise determination of the characteristics of hydrogen bonding networks, including the bonding sites, orientations, and lengths. The observation of bond contrast was interpreted by ab initio density functional calculations, which indicated the electron density contribution from the hybridized electronic state of the hydrogen bond. Intermolecular coordination between the dehydrogenated 8-hq and Cu adatoms was also revealed by the submolecular resolution AFM characterization. The direct identification of local bonding configurations by NC-AFM would facilitate detailed investigations of intermolecular interactions in complex molecules with multiple active sites.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu Kun; Zhao Hongmei; Wang Caixia
Bromoiodomethane photodissociation in the low-lying excited states has been characterized using unrestricted Hartree-Fock, configuration-interaction-singles, and complete active space self-consistent field calculations with the SDB-aug-cc-pVTZ, aug-cc-pVTZ, and 3-21g** basis sets. According to the results of the vertical excited energies and oscillator strengths of these low-lying excited states, bond selectivity is predicted. Subsequently, the minimum energy paths of the first excited singlet state and the third excited state for the dissociation reactions were calculated using the complete active space self-consistent field method with 3-21g** basis set. Good agreement is found between the calculations and experimental data. The relationships of excitations, the electronicmore » structures at Franck-Condon points, and bond selectivity are discussed.« less
NASA Technical Reports Server (NTRS)
Tullis, Thomas S.; Bied Sperling, Barbra; Steinberg, A. L.
1986-01-01
Before an optimum layout of the facilities for the proposed Space Station can be designed, it is necessary to understand the functions that will be performed by the Space Station crew and the relationships among those functions. Five criteria for assessing functional relationships were identified. For each of these criteria, a matrix representing the degree of association of all pairs of functions was developed. The key to making inferences about the layout of the Space Station from these matrices was the use of multidimensional scaling (MDS). Applying MDS to these matrices resulted in spatial configurations of the crew functions in which smaller distances in the MDS configuration reflected closer associations. An MDS analysis of a composite matrix formed by combining the five individual matrices resulted in two dimensions that describe the configuration: a 'private-public' dimension and a 'group-individual' dimension. Seven specific recommendations for Space Station layout were derived from analyses of the MDS configurations. Although these techniques have been applied to the design of the Space Station, they can be applied to the design of any facility where people live or work.
Henry constant and isosteric heat at zero-loading for gas adsorption in carbon nanotubes.
Do, D D; Do, H D; Wongkoblap, A; Nicholson, D
2008-12-28
The Henry constant and the isosteric heat of adsorption at zero loading in a carbon nanotube bundle are studied with Monte Carlo integration for the adsorption of gases over a range of temperatures. The spacing between nanotubes in a bundle is determined from the minimization of potential energy of interaction between these tubes. We study different tube configurations with bundles of 2, 3, 4 and 7 tubes. Depending on the configuration it is found that the spacing is of between 0.31 to 0.333 nm, and this falls within the range reported in the literature. The Henry constant has been carefully defined so that it will not become negative at high temperatures. This is done with the aid of accessible volume, rather than the usual absolute void volume. We show that linearity of the van't Hoff plot for the Henry constant is not strictly followed. Furthermore the slope of this plot is not equal to the isosteric heat of adsorption at zero loading, which is found to be a strong function of temperature. From the results we find that the Henry constant and the heat of adsorption depend on the tube configuration. In general the adsorption in the cusp interstices is strongest followed by that inside the tube and finally on the outer surface. However for very small tubes adsorption occurs inside the tube first. For molecules with orientation, the behaviour is even more interesting and the shape of the isosteric heat versus temperature depends on the degree of orientation, tube configuration and the domain of adsorption (interstices, inside the tube and on the outer surface).
Evaluation of optimal configuration of hybrid Life Support System for Space.
Bartsev, S I; Mezhevikin, V V; Okhonin, V A
2000-01-01
Any comprehensive evaluation of Life Support Systems (LSS) for space applications has to be conducted taking into account not only mass of LSS components but also all relevant equipment and storage: spare parts, additional mass of space ship walls, power supply and heat rejection systems. In this paper different combinations of hybrid LSS (HLSS) components were evaluated. Three variants of power supply were under consideration--solar arrays, direct solar light transmission to plants, and nuclear power. The software based on simplex approach was used for optimizing LSS configuration with respect to its mass. It was shown that there are several LSS configuration, which are optimal for different time intervals. Optimal configurations of physical-chemical (P/C), biological and hybrid LSS for three types of power supply are presented.
NASA Astrophysics Data System (ADS)
Wang, Zhechao; Li, Wei; Bi, Liping; Qiao, Liping; Liu, Richeng; Liu, Jie
2018-05-01
A method to estimate the representative elementary volume (REV) size for the permeability and equivalent permeability coefficient of rock mass with a radial flow configuration was developed. The estimations of the REV size and equivalent permeability for the rock mass around an underground oil storage facility using a radial flow configuration were compared with those using a unidirectional flow configuration. The REV sizes estimated using the unidirectional flow configuration are much higher than those estimated using the radial flow configuration. The equivalent permeability coefficient estimated using the radial flow configuration is unique, while those estimated using the unidirectional flow configuration depend on the boundary conditions and flow directions. The influences of the fracture trace length, spacing and gap on the REV size and equivalent permeability coefficient were investigated. The REV size for the permeability of fractured rock mass increases with increasing the mean trace length and fracture spacing. The influence of the fracture gap length on the REV size is insignificant. The equivalent permeability coefficient decreases with the fracture spacing, while the influences of the fracture trace length and gap length are not determinate. The applicability of the proposed method to the prediction of groundwater inflow into rock caverns was verified using the measured groundwater inflow into the facility. The permeability coefficient estimated using the radial flow configuration is more similar to the representative equivalent permeability coefficient than those estimated with different boundary conditions using the unidirectional flow configuration.
Jurgenson, E. D.; Maris, P.; Furnstahl, R. J.; ...
2013-05-13
The similarity renormalization group (SRG) is used to soften interactions for ab initio nuclear structure calculations by decoupling low- and high-energy Hamiltonian matrix elements. The substantial contribution of both initial and SRG-induced three-nucleon forces requires their consistent evolution in a three-particle basis space before applying them to larger nuclei. While, in principle, the evolved Hamiltonians are unitarily equivalent, in practice the need for basis truncation introduces deviations, which must be monitored. Here we present benchmark no-core full configuration calculations with SRG-evolved interactions in p-shell nuclei over a wide range of softening. As a result, these calculations are used to assessmore » convergence properties, extrapolation techniques, and the dependence of energies, including four-body contributions, on the SRG resolution scale.« less
Passive control of discrete-frequency tones generated by coupled detuned cascades
NASA Astrophysics Data System (ADS)
Sawyer, S.; Fleeter, S.
2003-07-01
Discrete-frequency tones generated by rotor-stator interactions are of particular concern in the design of fans and compressors. Classical theory considers an isolated flat-plate cascade of identical uniformly spaced airfoils. The current analysis extends this tuned isolated cascade theory to consider coupled aerodynamically detuned cascades where aerodynamic detuning is accomplished by changing the chord of alternate rotor blades and stator vanes. In a coupled cascade analysis, the configuration of the rotor influences the downstream acoustic response of the stator, and the stator configuration influences the upstream acoustic response of the rotor. This coupled detuned cascade unsteady aerodynamic model is first applied to a baseline tuned stage. This baseline stage is then aerodynamically detuned by replacing alternate rotor blades and stator vanes with decreased chord airfoils. The nominal aerodynamically detuned stage configuration is then optimized, with the stage acoustic response decreased 13 dB upstream and 1 dB downstream at the design operating condition. A reduction in the acoustic response of the optimized aerodynamically detuned stage is then demonstrated over a range of operating conditions.
NASA Technical Reports Server (NTRS)
Pokora, Darlene C.; Springer, Anthony M.
1994-01-01
A shadowgraph study of the National Launch System's (NLS's) 1 1/2 stage and heavy lift launch vehicle (HLLV) configurations is presented. Shadowgraphs are shown for the range of Mach numbers from Mach 0.6 to 5.0 at various angles-of-attack and roll angles. Since the 1 1/2 stage configuration is generally symmetric, no shadowgraphs of any roll angle are shown for this configuration. The major flow field phenomena over the NLS 1 1/2 stage and HLLV configurations are shown in the shadowgraphs. These shadowgraphs are used in the aerothermodynamic analysis of the external flow conditions the launch vehicle would encounter during the ascent stage of flight. The shadowgraphs presented in this study were obtained from configurations tested in the Marshall Space Flight Center's 14-Inch Trisonic Wind Tunnel during 1992.
NASA Technical Reports Server (NTRS)
Houck, J. A.
1980-01-01
This paper describes the work being done at the National Aeronautics and Space Administration's Langley Research Center on the development of a mission simulator for use in the Terminal Configured Vehicle Program. A brief description of the goals and objectives of the Terminal Configured Vehicle Program is presented. A more detailed description of the Mission Simulator, in its present configuration, and its components is provided. Finally, a description of the first research study conducted in the Mission Simulator is presented along with a discussion of some preliminary results from this study.
Plasma contactor technology for Space Station Freedom
NASA Technical Reports Server (NTRS)
Patterson, Michael J.; Hamley, John A.; Sarver-Verhey, Timothy; Soulas, George C.; Parkes, James; Ohlinger, Wayne L.; Schaffner, Michael S.; Nelson, Amy
1993-01-01
Hollow cathode plasma contactors were baselined for Space Station Freedom (SSF) to control the electrical potentials of surfaces to eliminate/mitigate damaging interactions with the space environment. The system represents a dual-use technology which is a direct outgrowth of the NASA electric propulsion program and in particular the technology development effort on ion thruster systems. Specific efforts include optimizing the design and configuration of the contactor, validating its required lifetime, and characterizing the contactor plume and electromagnetic interference. The plasma contact or subsystems include the plasma contact or unit, a power electronics unit, and an expellant management unit. Under this program these will all be brought to breadboard and engineering model development status. New test facilities were developed, and existing facilities were augmented, to support characterizations and life testing of contactor components and systems. The magnitude, scope, and status of the plasma contactor hardware development program now underway and preliminary test results on system components are discussed.
Plasma contactor development for Space Station
NASA Technical Reports Server (NTRS)
Patterson, Michael J.; Hamley, John A.; Sarmiento, Charles J.; Manzella, David H.; Sarver-Verhey, Timothy; Soulas, George C.; Nelson, Amy
1993-01-01
Plasma contactors have been baselined for the Space Station (SS) to control the electrical potentials of surfaces to eliminate/mitigate damaging interactions with the space environment. The system represents a dual-use technology which is a direct outgrowth of the NASA electric propulsion program and, in particular, the technology development effort on ion thrustor systems. The plasma contactor subsystems include the plasma contactor unit, a power electronics unit, and an expellant management unit. Under this pre-flight development program these will all be brought to breadboard or engineering model status. Development efforts for the plasma contactor include optimizing the design and configuration of the contactor, validating its required lifetime, and characterizing the contactor plume and electromagnetic interference. The plasma contactor unit design selected for the SS is an enclosed keeper, xenon hollow cathode plasma source. This paper discusses the test results and development status of the plasma contactor unit subsystem for the SS.
Plasma contactor technology for Space Station Freedom
NASA Technical Reports Server (NTRS)
Patterson, Michael J.; Hamley, John A.; Sarver-Verhey, Timothy; Soulas, George C.; Parkes, James; Ohlinger, Wayne L.; Schaffner, Michael S.; Nelson, Amy
1993-01-01
Hollow cathode plasma contactors have been baselined for Space Station Freedom to control the electrical potentials of surfaces to eliminate/mitigate damaging interactions with the space environment. The system represents a dual-use technology which is a direct outgrowth of the NASA electric propulsion program and in particular the technology development effort on ion thruster systems. Specific efforts include optimizing the design and configuration of the contactor, validating its required lifetime, and characterizing the contactor plume and electromagnetic interference. The plasma contactor subsystems include the plasma contactor unit, a power electronics unit, and an expellant management unit. Under this program these will all be brought to breadboard and engineering model development status. New test facilities have been developed, and existing facilities have been augmented, to support characterizations and life testing of contactor components and systems. This paper discusses the magnitude, scope, and status of the plasma contactor hardware development program now under way and preliminary test results on system components.
Plasma contactor development for Space Station
NASA Astrophysics Data System (ADS)
Patterson, Michael J.; Hamley, John A.; Sarmiento, Charles J.; Manzella, David H.; Sarver-Verhey, Timothy; Soulas, George C.; Nelson, Amy
1993-12-01
Plasma contactors have been baselined for the Space Station (SS) to control the electrical potentials of surfaces to eliminate/mitigate damaging interactions with the space environment. The system represents a dual-use technology which is a direct outgrowth of the NASA electric propulsion program and, in particular, the technology development effort on ion thrustor systems. The plasma contactor subsystems include the plasma contactor unit, a power electronics unit, and an expellant management unit. Under this pre-flight development program these will all be brought to breadboard or engineering model status. Development efforts for the plasma contactor include optimizing the design and configuration of the contactor, validating its required lifetime, and characterizing the contactor plume and electromagnetic interference. The plasma contactor unit design selected for the SS is an enclosed keeper, xenon hollow cathode plasma source. This paper discusses the test results and development status of the plasma contactor unit subsystem for the SS.
NASA Technical Reports Server (NTRS)
1998-01-01
NASA engineers successfully tested a Russian-built rocket engine on November 4, 1998 at the Marshall Space Flight Center (MSFC) Advanced Engine Test Facility, which had been used for testing the Saturn V F-1 engines and Space Shuttle Main engines. The MSFC was under a Space Act Agreement with Lockheed Martin Astronautics of Denver to provide a series of test firings of the Atlas III propulsion system configured with the Russian-designed RD-180 engine. The tests were designed to measure the performance of the Atlas III propulsion system, which included avionics and propellant tanks and lines, and how these components interacted with the RD-180 engine. The RD-180 is powered by kerosene and liquid oxygen, the same fuel mix used in Saturn rockets. The RD-180, the most powerful rocket engine tested at the MSFC since Saturn rocket tests in the 1960s, generated 860,000 pounds of thrust.
1998-11-04
NASA engineers successfully tested a Russian-built rocket engine on November 4, 1998 at the Marshall Space Flight Center (MSFC) Advanced Engine Test Facility, which had been used for testing the Saturn V F-1 engines and Space Shuttle Main engines. The MSFC was under a Space Act Agreement with Lockheed Martin Astronautics of Denver to provide a series of test firings of the Atlas III propulsion system configured with the Russian-designed RD-180 engine. The tests were designed to measure the performance of the Atlas III propulsion system, which included avionics and propellant tanks and lines, and how these components interacted with the RD-180 engine. The RD-180 is powered by kerosene and liquid oxygen, the same fuel mix used in Saturn rockets. The RD-180, the most powerful rocket engine tested at the MSFC since Saturn rocket tests in the 1960s, generated 860,000 pounds of thrust.
Crystal growth of device quality GaAs in space
NASA Technical Reports Server (NTRS)
Gatos, H. C.; Lagowski, J.
1986-01-01
It was established that the findings on elemental semiconductors Ge and Si regarding crystal growth, segregation, chemical composition, defect interactions, and materials properties-electronic properties relationships are not necessarily applicable to GaAs (and to other semiconductor compounds). In many instances totally unexpected relationships were found to prevail. It was further established that in compound semiconductors with a volatile constituent, control of stoichiometry is far more critical than any other crystal growth parameter. It was also shown that, due to suppression of nonstoichiometric fluctuations, the advantages of space for growth of semiconductor compounds extend far beyond those observed in elemental semiconductors. A novel configuration was discovered for partial confinement of GaAs melt in space which overcomes the two major problems associated with growth of semiconductors in total confinement. They are volume expansion during solidification and control of pressure of the volatile constituent. These problems are discussed in detail.
2017-12-08
The star of this NASA/ESA Hubble Space Telescope image is a galaxy known as NGC 4656, located in the constellation of Canes Venatici (The Hunting Dogs). However, it also has a somewhat more interesting and intriguing name: the Hockey Stick Galaxy! The reason for this is a little unclear from this partial view, which shows the bright central region, but the galaxy is actually shaped like an elongated, warped stick, stretching out through space until it curls around at one end to form a striking imitation of a celestial hockey stick. This unusual shape is thought to be due to an interaction between NGC 4656 and a couple of near neighbors, NGC 4631 (otherwise known as The Whale Galaxy) and NGC 4627 (a small elliptical). Galactic interactions can completely reshape a celestial object, shifting and warping its constituent gas, stars, and dust into bizarre and beautiful configurations. Credit: ESA/Hubble & NASA NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram
A stochastic differential equation model for the foraging behavior of fish schools.
Tạ, Tôn Việt; Nguyen, Linh Thi Hoai
2018-03-15
Constructing models of living organisms locating food sources has important implications for understanding animal behavior and for the development of distribution technologies. This paper presents a novel simple model of stochastic differential equations for the foraging behavior of fish schools in a space including obstacles. The model is studied numerically. Three configurations of space with various food locations are considered. In the first configuration, fish swim in free but limited space. All individuals can find food with large probability while keeping their school structure. In the second and third configurations, they move in limited space with one and two obstacles, respectively. Our results reveal that the probability of foraging success is highest in the first configuration, and smallest in the third one. Furthermore, when school size increases up to an optimal value, the probability of foraging success tends to increase. When it exceeds an optimal value, the probability tends to decrease. The results agree with experimental observations.
A stochastic differential equation model for the foraging behavior of fish schools
NASA Astrophysics Data System (ADS)
Tạ, Tôn ệt, Vi; Hoai Nguyen, Linh Thi
2018-05-01
Constructing models of living organisms locating food sources has important implications for understanding animal behavior and for the development of distribution technologies. This paper presents a novel simple model of stochastic differential equations for the foraging behavior of fish schools in a space including obstacles. The model is studied numerically. Three configurations of space with various food locations are considered. In the first configuration, fish swim in free but limited space. All individuals can find food with large probability while keeping their school structure. In the second and third configurations, they move in limited space with one and two obstacles, respectively. Our results reveal that the probability of foraging success is highest in the first configuration, and smallest in the third one. Furthermore, when school size increases up to an optimal value, the probability of foraging success tends to increase. When it exceeds an optimal value, the probability tends to decrease. The results agree with experimental observations.
Evaluation of bearing configurations using the single bearing tester in liquid nitrogen
NASA Technical Reports Server (NTRS)
Jett, T.; Hall, P.; Thom, R.
1991-01-01
Various bearing configurations were tested using the Marshall Space Flight Center single bearing tester with LN2 as the cryogenic coolant. The baseline was one Rocketdyne phase one high pressure oxidizer turbopump (HPOTP) pump end 45-mm bore bearing. The bearing configurations that were tested included a Salox/M cage configuration, a silicon nitride ball configuration, an elongated cage configuration, and a Bray 601 grease configuration.
Simulated orbits of heavy planetary ions at Mars for different IMF configurations
NASA Astrophysics Data System (ADS)
Curry, Shannon; Luhmann, Janet; Livi, Roberto; Hara, Takuya; Dong, Chuanfei; Ma, Yingjuan; McFadden, James; Bougher, Stephen
2014-11-01
We present simulated detections of O+, O2+ and CO2+ ions at Mars along a virtual orbit in the Mars space environment. Planetary pick-up ions are formed through the direct interaction of the solar wind with the neutral upper atmosphere, causing the newly created ions to be picked up and accelerated by the background convective electric field. Because previous missions such as Mars Global Surveyor (MGS) and Mars Express (MEX) have not been able to measure the interplanetary magnetic field (IMF) components simultaneously with plasma measurements, the response of heavy planetary pick-up ions to changes in the IMF has not been well characterized. Using a steady-state multi-species MHD model to provide the background electric and magnetic fields, the Mars Test Particle (MTP) simulation can trace each of these particles along field lines in near-Mars space and construct virtual ion detections from a spacecraft orbit. Specifically, we will present energy-time spectrograms and velocity space distributions (VSDs) for a selection of orbits during different IMF configurations and solar cycle conditions. These simulated orbits have broader implications for how to measure ion escape. Using individual particle traces, the origin and trajectories of different ion populations can be analyzed in order to assess how and where they contribute to the total atmospheric escape rate, which is a major objective of the upcoming MAVEN mission.
NASA Technical Reports Server (NTRS)
Zilz, D. E.
1985-01-01
A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to represent two different test techniques. One was a conventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a sub-scale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously. This is Volume 2 of 2: Wind Tunnel Test Force and Moment Data Report.
NASA Technical Reports Server (NTRS)
Keltner, D. J.
1975-01-01
The stowage list and hardware tracking system, a computer based information management system, used in support of the space shuttle orbiter stowage configuration and the Johnson Space Center hardware tracking is described. The input, processing, and output requirements that serve as a baseline for system development are defined.
Advanced missions safety. Volume 3: Appendices. Part 1: Space shuttle rescue capability
NASA Technical Reports Server (NTRS)
1972-01-01
The space shuttle rescue capability is analyzed as a part of the advanced mission safety study. The subjects discussed are: (1) mission evaluation, (2) shuttle configurations and performance, (3) performance of shuttle-launched tug system, (4) multiple pass grazing reentry from lunar orbit, (5) ground launched ascent and rendezvous time, (6) cost estimates, and (7) parallel-burn space shuttle configuration.
NASA Astrophysics Data System (ADS)
Li, Yumin; Iwata, Suehiro
1997-07-01
For astronomically interesting molecules, HCCS and NCS, the equilibrium geometries and potential energy curves of three states (X 2Π, A 2Π and B 2Σ+) as well as vertical excitation energies are studied using complete active space SCF (CASSCF), multi-reference configuration interaction (MRCI) and coupled cluster (CCSD(T)) methods with cc-pVTZ basis sets. The difference and similarity in the three states of HCCS and NCS are illustrated. The results obtained are in good agreement with available experimental data.
Implementation of a finite-amplitude method in a relativistic meson-exchange model
NASA Astrophysics Data System (ADS)
Sun, Xuwei; Lu, Dinghui
2017-08-01
The finite-amplitude method is a feasible numerical approach to large scale random phase approximation calculations. It avoids the storage and calculation of residual interaction elements as well as the diagonalization of the RPA matrix, which will be prohibitive when the configuration space is huge. In this work we finished the implementation of a finite-amplitude method in a relativistic meson exchange mean field model with axial symmetry. The direct variation approach makes our FAM scheme capable of being extended to the multipole excitation case.
NASA Technical Reports Server (NTRS)
Papadopoulos, Michael; Tolson, Robert H.
1993-01-01
The Modal Identification Experiment (MIE) is a proposed experiment to define the dynamic characteristics of Space Station Freedom. Previous studies emphasized free-decay modal identification. The feasibility of using a forced response method (Observer/Kalman Filter Identification (OKID)) is addressed. The interest in using OKID is to determine the input mode shape matrix which can be used for controller design or control-structure interaction analysis, and investigate if forced response methods may aid in separating closely spaced modes. A model of the SC-7 configuration of Space Station Freedom was excited using simulated control system thrusters to obtain acceleration output. It is shown that an 'optimum' number of outputs exists for OKID. To recover global mode shapes, a modified method called Global-Local OKID was developed. This study shows that using data from a long forced response followed by free-decay leads to the 'best' modal identification. Twelve out of the thirteen target modes were identified for such an output.
NASA Astrophysics Data System (ADS)
Suo, Bingbing; Lei, Yibo; Han, Huixian; Wang, Yubin
2018-04-01
This mini-review introduces our works on the Xi'an-CI (configuration interaction) package using graphical unitary group approach (GUGA). Taking advantage of the hole-particle symmetry in GUGA, the Galfand states used to span the CI space are classified into CI subspaces according to the number of holes and particles, and the coupling coefficients used to calculate Hamiltonian matrix elements could be factorised into the segment factors in the hole, active and external spaces. An efficient multi-reference CI with single and double excitations (MRCISD) algorithm is thus developed that reduces the storage requirement and increases the number of correlated electrons significantly. The hole-particle symmetry also gives rise to a doubly contracted MRCISD approach. Moreover, the internally contracted Gelfand states are defined within the CI subspace arising from the hole-particle symmetry, which makes the implementation of internally contracted MRCISD in the framework of GUGA possible. In addition to MRCISD, the development of multi-reference second-order perturbation theory (MRPT2) also benefits from the hole-particle symmetry. A configuration-based MRPT2 algorithm is proposed and extended to the multi-state n-electron valence-state second-order perturbation theory.
Virtual environment display for a 3D audio room simulation
NASA Technical Reports Server (NTRS)
Chapin, William L.; Foster, Scott H.
1992-01-01
The development of a virtual environment simulation system integrating a 3D acoustic audio model with an immersive 3D visual scene is discussed. The system complements the acoustic model and is specified to: allow the listener to freely move about the space, a room of manipulable size, shape, and audio character, while interactively relocating the sound sources; reinforce the listener's feeling of telepresence in the acoustical environment with visual and proprioceptive sensations; enhance the audio with the graphic and interactive components, rather than overwhelm or reduce it; and serve as a research testbed and technology transfer demonstration. The hardware/software design of two demonstration systems, one installed and one portable, are discussed through the development of four iterative configurations.
Dual redundant arm system operational quality measures and their applications - Static measures
NASA Technical Reports Server (NTRS)
Lee, Sukhan; Kim, Sungbok
1990-01-01
The authors present dual-arm system static operational quality measures which quantify the efficiency and capability of a dual-arm system in generating Cartesian velocities and static forces. First, they define and analyze the kinematic interactions between the two arms incurred by the various modes of dual-arm cooperation, such as transport, assembly, and grasping modes of cooperation, and specify the kinematic constraints imposed on individual arms in Cartesian space due to the kinematic interactions. Dual-arm static manipulability is presented. Finally, dual-arm operational quality is scaled by a task-oriented operational quality measure (TOQs) obtained by the comparison between the desired and actual static manipulabilities. TOQs is used in the optimization of dual-arm joint configurations. Simulation results are shown.
Interaction Forces Between Multiple Bodies in a Magnetic Field
NASA Technical Reports Server (NTRS)
Joffe, Benjamin
1996-01-01
Some of the results from experiments to determine the interaction forces between multiple bodies in a magnetic field are presented in this paper. It is shown how the force values and the force directions depend on the configuration of the bodies, their relative positions to each other, and the vector of the primary magnetic field. A number of efficient new automatic loading and assembly machines, as well as manipulators and robots, have been created based on the relationship between bodies and magnetic fields. A few of these patented magnetic devices are presented. The concepts involved open a new way to design universal grippers for robot and other kinds of mechanisms for the manipulation of objects. Some of these concepts can be used for space applications.
NASA Astrophysics Data System (ADS)
de Lara-Castells, M. P.; Villarreal, P.; Delgado-Barrio, G.; Mitrushchenkov, A. O.
2009-11-01
An efficient full-configuration-interaction nuclear orbital treatment has been recently developed as a benchmark quantum-chemistry-like method to calculate ground and excited "solvent" energies and wave functions in small doped ΔEest clusters (N ≤4) [M. P. de Lara-Castells, G. Delgado-Barrio, P. Villarreal, and A. O. Mitrushchenkov, J. Chem. Phys. 125, 221101 (2006)]. Additional methodological and computational details of the implementation, which uses an iterative Jacobi-Davidson diagonalization algorithm to properly address the inherent "hard-core" He-He interaction problem, are described here. The convergence of total energies, average pair He-He interaction energies, and relevant one- and two-body properties upon increasing the angular part of the one-particle basis set (expanded in spherical harmonics) has been analyzed, considering Cl2 as the dopant and a semiempirical model (T-shaped) He-Cl2(B) potential. Converged results are used to analyze global energetic and structural aspects as well as the configuration makeup of the wave functions, associated with the ground and low-lying "solvent" excited states. Our study reveals that besides the fermionic nature of H3e atoms, key roles in determining total binding energies and wave-function structures are played by the strong repulsive core of the He-He potential as well as its very weak attractive region, the most stable arrangement somehow departing from the one of N He atoms equally spaced on equatorial "ring" around the dopant. The present results for N =4 fermions indicates the structural "pairing" of two H3e atoms at opposite sides on a broad "belt" around the dopant, executing a sort of asymmetric umbrella motion. This pairing is a compromise between maximizing the H3e-H3e and the He-dopant attractions, and suppressing at the same time the "hard-core" repulsion. Although the He-He attractive interaction is rather weak, its contribution to the total energy is found to scale as a power of three and it thus increasingly affects the pair density distributions as the cluster grows in size.
Design of a Low Speed Fan Stage for Noise Suppression
NASA Technical Reports Server (NTRS)
Dalton, W. N.; Elliot, D. B.; Nickols, K. L.
1999-01-01
This report describes the design of a low tip speed, moderate pressure rise fan stage for demonstration of noise reduction concepts. The fan rotor is a fixed-pitch configuration delivering a design pressure ratio of 1.378 at a specific flow of 43.1 lbm/sec/sq ft. Four exit stator configurations were provided to demonstrate the effectiveness of circumferential and axial sweep in reducing rotor-stator interaction tone noise. The fan stage design was combined with an axisymmetric inlet, conical convergent nozzle, and nacelle to form a powered fan-nacelle subscale model. This model has a 22-inch cylindrical flow path and employs a rotor with a 0.30 hub-to-tip radius ratio. The design is fully compatible with an existing NASA force balance and rig drive system. The stage aerodynamic and structural design is described in detail. Three-dimensional (3-D) computational fluid dynamics (CFD) tools were used to define optimum airfoil sections for both the rotor and stators. A fan noise predictive system developed by Pratt & Whitney under contract to NASA was used to determine the acoustic characteristics of the various stator configurations. Parameters varied included rotor-to-stator spacing and vane leading edge sweep. The structural analysis of the rotor and stator are described herein. An integral blade and disk configuration was selected for the rotor. Analysis confirmed adequate low cycle fatigue life, vibratory endurance strength, and aeroelastic suitability. A unique load carrying stator arrangement was selected to minimize generation of tonal noise due to sources other than rotor-stator interaction. Analysis of all static structural components demonstrated adequate strength, fatigue life, and vibratory characteristics.
Quantum gravity in timeless configuration space
NASA Astrophysics Data System (ADS)
Gomes, Henrique
2017-12-01
On the path towards quantum gravity we find friction between temporal relations in quantum mechanics (QM) (where they are fixed and field-independent), and in general relativity (where they are field-dependent and dynamic). This paper aims to attenuate that friction, by encoding gravity in the timeless configuration space of spatial fields with dynamics given by a path integral. The framework demands that boundary conditions for this path integral be uniquely given, but unlike other approaches where they are prescribed—such as the no-boundary and the tunneling proposals—here I postulate basic principles to identify boundary conditions in a large class of theories. Uniqueness arises only if a reduced configuration space can be defined and if it has a profoundly asymmetric fundamental structure. These requirements place strong restrictions on the field and symmetry content of theories encompassed here; shape dynamics is one such theory. When these constraints are met, any emerging theory will have a Born rule given merely by a particular volume element built from the path integral in (reduced) configuration space. Also as in other boundary proposals, Time, including space-time, emerges as an effective concept; valid for certain curves in configuration space but not assumed from the start. When some such notion of time becomes available, conservation of (positive) probability currents ensues. I show that, in the appropriate limits, a Schrödinger equation dictates the evolution of weakly coupled source fields on a classical gravitational background. Due to the asymmetry of reduced configuration space, these probabilities and currents avoid a known difficulty of standard WKB approximations for Wheeler DeWitt in minisuperspace: the selection of a unique Hamilton–Jacobi solution to serve as background. I illustrate these constructions with a simple example of a full quantum gravitational theory (i.e. not in minisuperspace) for which the formalism is applicable, and give a formula for calculating gravitational semi-classical relative probabilities in it.
Scientific Instrument Package for the large space telescope (SIP)
NASA Technical Reports Server (NTRS)
1972-01-01
The feasibility of a scientific instrument package (SIP) that will satisfy the requirements of the large space telescope was established. A reference configuration serving as a study model and data which will aid in the trade-off studies leading to the final design configuration are reported.
Aerothermodynamic data base. Data file contents report, phase C
NASA Technical Reports Server (NTRS)
Lutz, G. R.
1983-01-01
Space shuttle aerothermodynamic data, collected from a continuing series of wind tunnel tests, are permanently stored with the Data Management Services (DMS) system. Information pertaining to current baseline configuration definition is also stored. Documentation of DMS processed data arranged sequentially and by space shuttle configuration is listed to provide an up-to-date record of all applicable aerothermodynamic data collected, processed, or summarized during the space shuttle program. Tables provide survey information to the various space shuttle managerial and technical levels.
NASA Technical Reports Server (NTRS)
1984-01-01
Space shuttle aerothermodynamic data, collected from a continuing series of wind tunnel tests, are permanently stored with the Data Management Services (DMS) system. Information pertaining to current baseline configuration definition is also stored. A list of documentation of DMS processed data arranged sequentially and by space shuttle configuration is presented. The listing provides an up to date record of all applicable aerothermodynamic data collected, processed, or summarized during the space shuttle program. Tables are designed to provide survey information to the various space shuttle managerial and technical levels.
O'Hara, Susan; Klar, Robin Toft; Patterson, Emily S; Morris, Nancy S; Ascenzi, Judy; Fackler, James C; Perry, Donna J
2018-04-01
The objectives of this research were to describe the interactions (formal and informal), in which macrocognitive functions occur and their location on a pediatric intensive care unit, to describe challenges and facilitators of macrocognition using space syntax constructs (openness, connectivity, and visibility), and to analyze the healthcare built environment (HCBE) using those constructs to explicate influences on macrocognition. In high reliability, complex industries, macrocognition is an approach to develop new knowledge among interprofessional team members. Although macrocognitive functions have been analyzed in multiple healthcare settings, the effect of the HCBE on those functions has not been directly studied. The theoretical framework, "macrocognition in the healthcare built environment" (mHCBE) addresses this relationship. A focused ethnographic study was conducted including observation and focus groups. Architectural drawing files used to create distance matrices and isovist field view analyses were compared to panoramic photographs and ethnographic data. Neighborhoods comprised of corner configurations with maximized visibility enhanced team interactions as well as observation of patients, offering the greatest opportunity for informal situated macrocognitive interactions (SMIs). Results from this study support the intricate link between macrocognitive interactions and space syntax constructs within the HCBE. These findings help increase understanding of how use of the framework of Macrocognition in the HCBE can improve design and support adaptation of interprofessional team practices, maximizing macrocognitive interaction opportunities for patient, family, and team safety and quality.
The constraints satisfaction problem approach in the design of an architectural functional layout
NASA Astrophysics Data System (ADS)
Zawidzki, Machi; Tateyama, Kazuyoshi; Nishikawa, Ikuko
2011-09-01
A design support system with a new strategy for finding the optimal functional configurations of rooms for architectural layouts is presented. A set of configurations satisfying given constraints is generated and ranked according to multiple objectives. The method can be applied to problems in architectural practice, urban or graphic design-wherever allocation of related geometrical elements of known shape is optimized. Although the methodology is shown using simplified examples-a single story residential building with two apartments each having two rooms-the results resemble realistic functional layouts. One example of a practical size problem of a layout of three apartments with a total of 20 rooms is demonstrated, where the generated solution can be used as a base for a realistic architectural blueprint. The discretization of design space is discussed, followed by application of a backtrack search algorithm used for generating a set of potentially 'good' room configurations. Next the solutions are classified by a machine learning method (FFN) as 'proper' or 'improper' according to the internal communication criteria. Examples of interactive ranking of the 'proper' configurations according to multiple criteria and choosing 'the best' ones are presented. The proposed framework is general and universal-the criteria, parameters and weights can be individually defined by a user and the search algorithm can be adjusted to a specific problem.
Self-propulsion of a pitching foil
NASA Astrophysics Data System (ADS)
Das, Anil; Shukla, Ratnesh; Govardhan, Raghuraman
2017-11-01
Undulatory motions serve as a fundamental mechanism for bio-locomotion at moderate and high Reynolds numbers. An understanding of the interactions between self-propelling undulatory motions and the surrounding fluid, not only provides insight into the efficiency of bio-locomotion, but also yields valuable pointers for the design of autonomous under-water and micro-aerial vehicles. Here, we investigate a simplified model of a self-propelling pitching foil that undergoes time-periodic oscillations about its quarter chord. We consider two-dimensional configurations in which the foil is free to propel along only longitudinal and both transverse and longitudinal directions. In both the configurations, the time-averaged self-propelling velocity increases monotonically with the Reynolds number Re (based on trailing edge speed and chord as the characteristic velocity and length). The rate of increase is particularly pronounced in the low Re regime (Re <400) over which the closely-spaced wake vortices dissipate within a few chord lengths. At moderate and high Re, the wake exhibits increasingly complex structure in both the configurations. For a fixed Re, the foil with a single translational degree of freedom propels at a higher speed for a higher input power requirement. Differences between the two configurations will be discussed within the context of undulatory self-propulsion observed in nature.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bytautas, Laimutis; Scuseria, Gustavo E.; Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589
2015-09-07
The present study further explores the concept of the seniority number (Ω) by examining different configuration interaction (CI) truncation strategies in generating compact wave functions in a systematic way. While the role of Ω in addressing static (strong) correlation problem has been addressed in numerous previous studies, the usefulness of seniority number in describing weak (dynamic) correlation has not been investigated in a systematic way. Thus, the overall objective in the present work is to investigate the role of Ω in addressing also dynamic electron correlation in addition to the static correlation. Two systematic CI truncation strategies are compared beyondmore » minimal basis sets and full valence active spaces. One approach is based on the seniority number (defined as the total number of singly occupied orbitals in a determinant) and another is based on an excitation-level limitation. In addition, molecular orbitals are energy-optimized using multiconfigurational-self-consistent-field procedure for all these wave functions. The test cases include the symmetric dissociation of water (6-31G), N{sub 2} (6-31G), C{sub 2} (6-31G), and Be{sub 2} (cc-pVTZ). We find that the potential energy profile for H{sub 2}O dissociation can be reasonably well described using only the Ω = 0 sector of the CI wave function. For the Be{sub 2} case, we show that the full CI potential energy curve (cc-pVTZ) is almost exactly reproduced using either Ω-based (including configurations having up to Ω = 2 in the virtual-orbital-space) or excitation-based (up to single-plus-double-substitutions) selection methods, both out of a full-valence-reference function. Finally, in dissociation cases of N{sub 2} and C{sub 2}, we shall also consider novel hybrid wave functions obtained by a union of a set of CI configurations representing the full valence space and a set of CI configurations where seniority-number restriction is imposed for a complete set (full-valence-space and virtual) of correlated molecular orbitals, simultaneously. We discuss the usefulness of the seniority number concept in addressing both static and dynamic electron correlation problems along dissociation paths.« less
Bachmann, Talis; Luiga, Iiris; Põder, Endel
2005-01-01
In part I we showed that with spatially non-overlapping targets and masks both local metacontrast-like interactions and attentional processes are involved in backward masking. In this second part we extend the strategy of varying the contents of masks to pattern masking where targets and masks overlap in space, in order to compare different masking theories. Images of human faces were backward-masked by three types of spatially quantised masks (the same faces as targets, faces different from targets, and Gaussian noise with power spectra typical for faces). Configural characteristics, rather than the spectral content of the mask, predicted the extent of masking at relatively long stimulus onset asynchronies (SOAs). This poses difficulties for the theory of transient-on-sustained inhibition as the principal mechanism of masking and also for local contour interaction being a decisive factor in pattern masking. The scale of quantisation had no effect on the masking capacity of noise masks and a strong effect on the capacity of different-face masks. Also, the decrease of configural masking with an increase in the coarseness of the quantisation of the mask highlights ambiguities inherent in the re-entrance-based substitution theory of masking. Different masking theories cannot solve the problems of masking separately. They should be combined in order to create a complex, yet comprehensible mode of interaction for the different mechanisms involved in visual backward masking.
Magnetic field studies at jupiter by voyager 1: preliminary results.
Ness, N F; Acuna, M H; Lepping, R P; Burlaga, L F; Behannon, K W; Neubauer, F M
1979-06-01
Results obtained by the Goddard Space Flight Center magnetometers on Voyager 1 are described. These results concern the large-scale configuration of the Jovian bow shock and magnetopause, and the magnetic field in both the inner and outer magnetosphere. There is evidence that a magnetic tail extending away from the planet on the nightside is formed by the solar wind-Jovian field interaction. This is much like Earth's magnetosphere but is a new configuration for Jupiter's magnetosphere not previously considered from earlier Pioneer data. We report on the analysis and interpretation of magnetic field perturbations associated with intense electrical currents (approximately 5 x 10(6) amperes) flowing near or in the magnetic flux tube linking Jupiter with the satellite Jo and induced by the relative motion between Io and the corotating Jovian magnetosphere. These currents may be an important source of heating the ionosphere and interior of Io through Joule dissipation.
Li, Xiangping; Lan, Tzu-Hsiang; Tien, Chung-Hao; Gu, Min
2012-01-01
The interplay between light polarization and matter is the basis of many fundamental physical processes and applications. However, the electromagnetic wave nature of light in free space sets a fundamental limit on the three-dimensional polarization orientation of a light beam. Although a high numerical aperture objective can be used to bend the wavefront of a radially polarized beam to generate the longitudinal polarization state in the focal volume, the arbitrary three-dimensional polarization orientation of a beam has not been achieved yet. Here we present a novel technique for generating arbitrary three-dimensional polarization orientation by a single optically configured vectorial beam. As a consequence, by applying this technique to gold nanorods, orientation-unlimited polarization encryption with ultra-security is demonstrated. These results represent a new landmark of the orientation-unlimited three-dimensional polarization control of the light-matter interaction.
A study of leeside flow field heat transfer on Shuttle Orbiter configuration
NASA Technical Reports Server (NTRS)
Baranowski, L. C.; Kipp, H. W.
1984-01-01
A coupled inviscid and viscous theoretical solution of the flow about the entire configuration is the desirable and comprehensive approach to defining thermal environments about the space shuttle orbiter. Simplified methods for predicting entry heating on leeside surfaces of the orbiter are considered. Wind tunnel heat transfer and oil flow data at Mach 6 and 10 and Reynolds numbers ranging from 500,000 to 73 million were used to develop correlations for the wing upper surface and the top surface of the fuselage. These correlations were extrapolated to flight Reynolds number and compared with heating data obtained during the shuttle STS-2 reentry. Efforts directed toward the wing leeside surface resulted in an approach which generally agreed with the flight data. Heating predictions for the upper fuselage were less successful due to the extreme complexity of local flow interactions and the associated heating environment.
NASA Technical Reports Server (NTRS)
Deryder, L. J.; Chiger, H. D.; Deryder, D. D.; Detweiler, K. N.; Dupree, R. L.; Gillespie, V. P.; Hall, J. B.; Heck, M. L.; Herrick, D. C.; Katzberg, S. J.
1989-01-01
The results of a NASA in-house team effort to develop a concept definition for a Commercially Developed Space Facility (CDSF) are presented. Science mission utilization definition scenarios are documented, the conceptual configuration definition system performance parameters qualified, benchmark operational scenarios developed, space shuttle interface descriptions provided, and development schedule activity was assessed with respect to the establishment of a proposed launch date.
A Management Model for International Participation in Space Exploration Missions
NASA Technical Reports Server (NTRS)
George, Patrick J.; Pease, Gary M.; Tyburski, Timothy E.
2005-01-01
This paper proposes an engineering management model for NASA's future space exploration missions based on past experiences working with the International Partners of the International Space Station. The authors have over 25 years of combined experience working with the European Space Agency, Japan Aerospace Exploration Agency, Canadian Space Agency, Italian Space Agency, Russian Space Agency, and their respective contractors in the design, manufacturing, verification, and integration of their elements electric power system into the United States on-orbit segment. The perspective presented is one from a specific sub-system integration role and is offered so that the lessons learned from solving issues of technical and cultural nature may be taken into account during the formulation of international partnerships. Descriptions of the types of unique problems encountered relative to interactions between international partnerships are reviewed. Solutions to the problems are offered, taking into consideration the technical implications. Through the process of investigating each solution, the important and significant issues associated with working with international engineers and managers are outlined. Potential solutions are then characterized by proposing a set of specific methodologies to jointly develop spacecraft configurations that benefits all international participants, maximizes mission success and vehicle interoperability while minimizing cost.
NASA Technical Reports Server (NTRS)
Creech, Steve; Sumrall, Phil; Cockrell, Charles E., Jr.; Burris, Mike
2009-01-01
As part of NASA s Constellation Program to resume exploration beyond low Earth orbit (LEO), the Ares V heavy-lift cargo launch vehicle as currently conceived will be able to send more crew and cargo to more places on the Moon than the Apollo Program Saturn V. (Figure 1) It also has unprecedented cargo mass and volume capabilities that will be a national asset for science, commerce, and national defense applications. Compared to current systems, it will offer approximately five times the mass and volume to most orbits and locations. The Columbia space shuttle accident, the resulting investigation, the Vision for Space Exploration, and the Exploration Systems Architecture Study (ESAS) broadly shaped the Constellation architecture. Out of those events and initiatives emerged an architecture intended to replace the space shuttle, complete the International Space Station (ISS), resume a much more ambitious plan to explore the moon as a stepping stone to other destinations in the solar system. The Ares I was NASA s main priority because of the goal to retire the Shuttle. Ares V remains in a concept development phase, evolving through hundreds of configurations. The current reference design was approved during the Lunar Capabilities Concept Review/Ares V Mission Concept Review (LCCR/MCR) in June 2008. This reference concept serves as a starting point for a renewed set of design trades and detailed analysis into its interaction with the other components of the Constellation architecture and existing launch infrastructure. In 2009, the Ares V team was heavily involved in supporting the Review of U.S. Human Space Flight Plans Committee. Several alternative designs for Ares V have been supplied to the committee. This paper will discuss the origins of the Ares V design, the evolution to the current reference configuration, and the options provided to the review committee.
Space Geodesy Project Information and Configuration Management Procedure
NASA Technical Reports Server (NTRS)
Merkowitz, Stephen M.
2016-01-01
This plan defines the Space Geodesy Project (SGP) policies, procedures, and requirements for Information and Configuration Management (CM). This procedure describes a process that is intended to ensure that all proposed and approved technical and programmatic baselines and changes to the SGP hardware, software, support systems, and equipment are documented.
NASA Astrophysics Data System (ADS)
Leushin, A. M.
2011-10-01
The level structure of the ground 3d5 configuration of Mn2+, Fe3+, Co4+ and Ni5+ ions was theoretically interpreted by means of a least-squares fit of the energy parameters to the observed values within the framework of the single-configuration approximation. In the Hamiltonian in addition to real electrostatic, spin-orbit, and spin-spin interactions, electrostatic and spin-orbit interactions correlated by configuration mixing were included. It was shown that the correct positions of almost all the energy levels are determined when the Hamiltonian includes the terms of the lineal (two-body operators) and nonlinear (three-body operators) theory of the configuration interaction. The most correct theoretical description of the experimental spectra was obtained by taking into account relativistic interactions and correlation effects of spin-orbit interactions. Adjustable parameters of the interactions included into the Hamiltonian were found.
Influence of vibration modes on control system stabilization for space shuttle type vehicles
NASA Technical Reports Server (NTRS)
Greiner, H. G.
1972-01-01
An investigation was made to determine the feasibility of using conventional autopilot techniques to stabilize the vibration modes at the liftoff flight condition for two space shuttle configurations. One configuration is called the dual flyback vehicle in which both the orbiter and booster vehicles have wings and complete flyback capability. The other configuration is called the solid motor vehicle win which the orbiter only has flyback. The results of the linear stability analyses for each of the vehicles are summarized.
NASA Technical Reports Server (NTRS)
Chan, William M.
1995-01-01
Algorithms and computer code developments were performed for the overset grid approach to solving computational fluid dynamics problems. The techniques developed are applicable to compressible Navier-Stokes flow for any general complex configurations. The computer codes developed were tested on different complex configurations with the Space Shuttle launch vehicle configuration as the primary test bed. General, efficient and user-friendly codes were produced for grid generation, flow solution and force and moment computation.
NASA Technical Reports Server (NTRS)
1973-01-01
Configuration data and design information for the space shuttle launched configuration is presented. The overall system definition, operations and control, and telecommunication service system including link budgets are discussed. A brief description of the user transceiver and ground station is presented. A final section includes a summary description of the TDR spacecraft and all the subsystems. The data presented are largely in tabular form.
Balatti, Galo E; Ambroggio, Ernesto E; Fidelio, Gerardo D; Martini, M Florencia; Pickholz, Mónica
2017-10-20
In this work; we investigated the differential interaction of amphiphilic antimicrobial peptides with 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) lipid structures by means of extensive molecular dynamics simulations. By using a coarse-grained (CG) model within the MARTINI force field; we simulated the peptide-lipid system from three different initial configurations: (a) peptides in water in the presence of a pre-equilibrated lipid bilayer; (b) peptides inside the hydrophobic core of the membrane; and (c) random configurations that allow self-assembled molecular structures. This last approach allowed us to sample the structural space of the systems and consider cooperative effects. The peptides used in our simulations are aurein 1.2 and maculatin 1.1; two well-known antimicrobial peptides from the Australian tree frogs; and molecules that present different membrane-perturbing behaviors. Our results showed differential behaviors for each type of peptide seen in a different organization that could guide a molecular interpretation of the experimental data. While both peptides are capable of forming membrane aggregates; the aurein 1.2 ones have a pore-like structure and exhibit a higher level of organization than those conformed by maculatin 1.1. Furthermore; maculatin 1.1 has a strong tendency to form clusters and induce curvature at low peptide-lipid ratios. The exploration of the possible lipid-peptide structures; as the one carried out here; could be a good tool for recognizing specific configurations that should be further studied with more sophisticated methodologies.
Development and Validation of an Interactive Liner Design and Impedance Modeling Tool
NASA Technical Reports Server (NTRS)
Howerton, Brian M.; Jones, Michael G.; Buckley, James L.
2012-01-01
The Interactive Liner Impedance Analysis and Design (ILIAD) tool is a LabVIEW-based software package used to design the composite surface impedance of a series of small-diameter quarter-wavelength resonators incorporating variable depth and sharp bends. Such structures are useful for packaging broadband acoustic liners into constrained spaces for turbofan engine noise control applications. ILIAD s graphical user interface allows the acoustic channel geometry to be drawn in the liner volume while the surface impedance and absorption coefficient calculations are updated in real-time. A one-dimensional transmission line model serves as the basis for the impedance calculation and can be applied to many liner configurations. Experimentally, tonal and broadband acoustic data were acquired in the NASA Langley Normal Incidence Tube over the frequency range of 500 to 3000 Hz at 120 and 140 dB SPL. Normalized impedance spectra were measured using the Two-Microphone Method for the various combinations of channel configurations. Comparisons between the computed and measured impedances show excellent agreement for broadband liners comprised of multiple, variable-depth channels. The software can be used to design arrays of resonators that can be packaged into complex geometries heretofore unsuitable for effective acoustic treatment.
Shell model description of heavy nuclei and abnormal collective motions
NASA Astrophysics Data System (ADS)
Qi, Chong
2018-05-01
In this contribution I present systematic calculations on the spectroscopy and electromagnetic transition properties of intermediate-mass and heavy nuclei around 100Sn and 208Pb. We employed the large-scale configuration interaction shell model approach with realistic interactions. Those nuclei are the longest isotopic chains that can be studied by the nuclear shell model. I will show that the yrast spectra of Te isotopes show a vibrational-like equally spaced pattern but the few known E2 transitions show rotational-like behaviour. These kinds of abnormal collective behaviors cannot be reproduced by standard collective models and provide excellent background to study the competition of single-particle and various collective degrees of freedom. Moreover, the calculated B(E2) values for neutron-deficient and heavier Te isotopes show contrasting different behaviours along the yrast line, which may be related to the enhanced neutron-proton correlation when approaching N=50. The deviations between theory and experiment concerning the energies and E2 transition properties of low-lying 0+ and 2+ excited states and isomeric states in those nuclei may provide a constraint on our understanding of nuclear deformation and intruder configuration in that region.
Parameter-Space Survey of Linear G-mode and Interchange in Extended Magnetohydrodynamics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Howell, E. C.; Sovinec, C. R.
The extended magnetohydrodynamic stability of interchange modes is studied in two configurations. In slab geometry, a local dispersion relation for the gravitational interchange mode (g-mode) with three different extensions of the MHD model [P. Zhu, et al., Phys. Rev. Lett. 101, 085005 (2008)] is analyzed. Our results delineate where drifts stablize the g-mode with gyroviscosity alone and with a two-fluid Ohm’s law alone. Including the two-fluid Ohm’s law produces an ion drift wave that interacts with the g-mode. This interaction then gives rise to a second instability at finite k y. A second instability is also observed in numerical extended MHD computations of linear interchange in cylindrical screw-pinch equilibria, the second configuration. Particularly with incomplete models, this mode limits the regions of stability for physically realistic conditions. But, applying a consistent two-temperature extended MHD model that includes the diamagnetic heat flux density (more » $$\\vec{q}$$ *) makes the onset of the second mode occur at larger Hall parameter. For conditions relevant to the SSPX experiment [E.B. Hooper, Plasma Phys. Controlled Fusion 54, 113001 (2012)], significant stabilization is observed for Suydam parameters as large as unity (D s≲1).« less
Parameter-Space Survey of Linear G-mode and Interchange in Extended Magnetohydrodynamics
Howell, E. C.; Sovinec, C. R.
2017-09-11
The extended magnetohydrodynamic stability of interchange modes is studied in two configurations. In slab geometry, a local dispersion relation for the gravitational interchange mode (g-mode) with three different extensions of the MHD model [P. Zhu, et al., Phys. Rev. Lett. 101, 085005 (2008)] is analyzed. Our results delineate where drifts stablize the g-mode with gyroviscosity alone and with a two-fluid Ohm’s law alone. Including the two-fluid Ohm’s law produces an ion drift wave that interacts with the g-mode. This interaction then gives rise to a second instability at finite k y. A second instability is also observed in numerical extended MHD computations of linear interchange in cylindrical screw-pinch equilibria, the second configuration. Particularly with incomplete models, this mode limits the regions of stability for physically realistic conditions. But, applying a consistent two-temperature extended MHD model that includes the diamagnetic heat flux density (more » $$\\vec{q}$$ *) makes the onset of the second mode occur at larger Hall parameter. For conditions relevant to the SSPX experiment [E.B. Hooper, Plasma Phys. Controlled Fusion 54, 113001 (2012)], significant stabilization is observed for Suydam parameters as large as unity (D s≲1).« less
Combustion Of Interacting Droplet Arrays In Microgravity
NASA Technical Reports Server (NTRS)
Dietrich, D. L.; Struk, P. M.; Ikegami, M.; Xu, G.
2003-01-01
Theory and experiments involving single droplet combustion date back to 1953, with the first microgravity work appearing in 1956. The problem of a spherical droplet burning in an infinite, quiescent microgravity environment is a classical problem in combustion research with the classical solution appearing in nearly every textbook on combustion. The microgravity environment offered by ground-based facilities such as drop towers and space-based facilities is ideal for studying the problem experimentally. A recent review by Choi and Dryer shows significant advances in droplet combustion have been made by studying the problem experimentally in microgravity and comparing the results to one dimensional theoretical and numerical treatments of the problem. Studying small numbers of interacting droplets in a well-controlled geometry represents a logical step in extending single droplet investigations to more practical spray configurations. Studies of droplet interactions date back to Rex and co-workers, and were recently summarized by Annamalai and Ryan. All previous studies determined the change in the burning rate constant, k, or the flame characteristics as a result of interactions. There exists almost no information on how droplet interactions a effect extinction limits, and if the extinction limits change if the array is in the diffusive or the radiative extinction regime. Thus, this study examined experimentally the effect that droplet interactions have on the extinction process by investigating the simplest array configuration, a binary droplet array. The studies were both in normal gravity, reduced pressure ambients and microgravity facilities. The microgravity facilities were the 2.2 and 5.2 second drop towers at the NASA Glenn Research Center and the 10 second drop tower at the Japan Microgravity Center. The experimental apparatus and the data analysis techniques are discussed in detail elsewhere.
Space transfer vehicles and space basing
NASA Technical Reports Server (NTRS)
Kelley, Joe
1991-01-01
The topics covered include the following: (1) space basing agenda; (2) mission scenario 4E-5B, crew and Lunar Excursion Vehicle (LEV) delivery; (3) final concept candidate, crew concept 4E-2B; (4) space transfer vehicle (STV) concept 4E-5B; (5) configuration summary for crew concept 4E-5B; (6) configuration definition for crew concept 4E-5B; (7) low earth orbit node assembly and checkout operations; (8) criteria for operation objectives; (9) LTV and STV main engines; (10) Space Station Freedom impacts; (11) aerobrakes; and (12) on orbit operations. This document is presented in viewgraph form.
Design of shape memory alloy actuated intelligent parabolic antenna for space applications
NASA Astrophysics Data System (ADS)
Kalra, Sahil; Bhattacharya, Bishakh; Munjal, B. S.
2017-09-01
The deployment of large flexible antennas is becoming critical for space applications today. Such antenna systems can be reconfigured in space for variable antenna footprint, and hence can be utilized for signal transmission to different geographic locations. Due to quasi-static shape change requirements, coupled with the demand of large deflection, shape memory alloy (SMA) based actuators are uniquely suitable for this system. In this paper, we discuss the design and development of a reconfigurable parabolic antenna structure. The reflector skin of the antenna is vacuum formed using a metalized polycarbonate shell. Two different strategies are chosen for the antenna actuation. Initially, an SMA wire based offset network is formed on the back side of the reflector. A computational model is developed using equivalent coefficient of thermal expansion (ECTE) for the SMA wire. Subsequently, the interaction between the antenna and SMA wire is modeled as a constrained recovery system, using a 1D modified Brinson model. Joule effect based SMA phase transformation is considered for the relationship between input voltage and temperature at the SMA wire. The antenna is modeled using ABAQUS based finite element methodology. The deflection found through the computational model is compared with that measured in experiment. Subsequently, a point-wise actuation system is developed for higher deflection. For power-minimization, an auto-locking device is developed. The performance of the new configuration is compared with the offset-network configuration. It is envisaged that the study will provide a comprehensive procedure for the design of intelligent flexible structures especially suitable for space applications.
A theoretical study of bond selective photochemistry in CH2BrI
NASA Astrophysics Data System (ADS)
Liu, Kun; Zhao, Hongmei; Wang, Caixia; Zhang, Aihua; Ma, Siyu; Li, Zonghe
2005-01-01
Bromoiodomethane photodissociation in the low-lying excited states has been characterized using unrestricted Hartree-Fock, configuration-interaction-singles, and complete active space self-consistent field calculations with the SDB-aug-cc-pVTZ, aug-cc-pVTZ, and 3-21g** basis sets. According to the results of the vertical excited energies and oscillator strengths of these low-lying excited states, bond selectivity is predicted. Subsequently, the minimum energy paths of the first excited singlet state and the third excited state for the dissociation reactions were calculated using the complete active space self-consistent field method with 3-21g** basis set. Good agreement is found between the calculations and experimental data. The relationships of excitations, the electronic structures at Franck-Condon points, and bond selectivity are discussed.
A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, Wenlan; Köhn, Andreas; InnovationLab GmbH, Speyerer St. 4, D-69115 Heidelberg
2015-08-28
We present a general method for analyzing the character of singly excited states in terms of charge transfer (CT) and locally excited (LE) configurations. The analysis is formulated for configuration interaction singles (CIS) singly excited wave functions of aggregate systems. It also approximately works for the second-order approximate coupled cluster singles and doubles and the second-order algebraic-diagrammatic construction methods [CC2 and ADC(2)]. The analysis method not only generates a weight of each character for an excited state, but also allows to define the related quasi-diabatic states and corresponding coupling matrix elements. In the character analysis approach, we divide the targetmore » system into domains and use a modified Pipek-Mezey algorithm to localize the canonical MOs on each domain, respectively. The CIS wavefunction is then transformed into the localized basis, which allows us to partition the wavefunction into LE configurations within domains and CT configuration between pairs of different domains. Quasi-diabatic states are then obtained by mixing excited states subject to the condition of maximizing the weight of one single LE or CT configuration (localization in configuration space). Different aims of such a procedure are discussed, either the construction of pure LE and CT states for analysis purposes (by including a large number of excited states) or the construction of effective models for dynamics calculations (by including a restricted number of excited states). Applications are given to LE/CT mixing in π-stacked systems, charge-recombination matrix elements in a hetero-dimer, and excitonic couplings in multi-chromophoric systems.« less
PUS Services Software Building Block Automatic Generation for Space Missions
NASA Astrophysics Data System (ADS)
Candia, S.; Sgaramella, F.; Mele, G.
2008-08-01
The Packet Utilization Standard (PUS) has been specified by the European Committee for Space Standardization (ECSS) and issued as ECSS-E-70-41A to define the application-level interface between Ground Segments and Space Segments. The ECSS-E- 70-41A complements the ECSS-E-50 and the Consultative Committee for Space Data Systems (CCSDS) recommendations for packet telemetry and telecommand. The ECSS-E-70-41A characterizes the identified PUS Services from a functional point of view and the ECSS-E-70-31 standard specifies the rules for their mission-specific tailoring. The current on-board software design for a space mission implies the production of several PUS terminals, each providing a specific tailoring of the PUS services. The associated on-board software building blocks are developed independently, leading to very different design choices and implementations even when the mission tailoring requires very similar services (from the Ground operative perspective). In this scenario, the automatic production of the PUS services building blocks for a mission would be a way to optimize the overall mission economy and improve the robusteness and reliability of the on-board software and of the Ground-Space interactions. This paper presents the Space Software Italia (SSI) activities for the development of an integrated environment to support: the PUS services tailoring activity for a specific mission. the mission-specific PUS services configuration. the generation the UML model of the software building block implementing the mission-specific PUS services and the related source code, support documentation (software requirements, software architecture, test plans/procedures, operational manuals), and the TM/TC database. The paper deals with: (a) the project objectives, (b) the tailoring, configuration, and generation process, (c) the description of the environments supporting the process phases, (d) the characterization of the meta-model used for the generation, (e) the characterization of the reference avionics architecture and of the reference on- board software high-level architecture.
Plasma Interactions with High Voltage Solar Arrays for a Direct Drive Hall Effect Thruster System
NASA Technical Reports Server (NTRS)
Schneider, T.; Horvater, M. A.; Vaughn, J.; Carruth, M. R.; Jongeward, G. A.; Mikellides, I. G.
2003-01-01
The Environmental Effects Group of NASA s Marshall Space Flight Center (MSFC) is conducting research into the effects of plasma interaction with high voltage solar arrays. These high voltage solar arrays are being developed for a direct drive Hall Effect Thruster propulsion system. A direct drive system configuration will reduce power system mass by eliminating a conventional power-processing unit. The Environmental Effects Group has configured two large vacuum chambers to test different high-voltage array concepts in a plasma environment. Three types of solar arrays have so far been tested, an International Space Station (ISS) planar array, a Tecstar planar array, and a Tecstar solar concentrator array. The plasma environment was generated using a hollow cathode plasma source, which yielded densities between 10(exp 6) - 10(exp 7) per cubic centimeter and electron temperatures of 0.5-1 eV. Each array was positioned in this plasma and biased in the -500 to + 500 volt range. The current collection was monitored continuously. In addition, the characteristics of arcing, snap over, and other features, were recorded. Analysis of the array performance indicates a time dependence associated with the current collection as well as a tendency for "conditioning" over a large number of runs. Mitigation strategies, to reduce parasitic current collection, as well as arcing, include changing cover-glass geometry and layout as well as shielding the solar cell edges. High voltage performance data for each of the solar array types tested will be presented. In addition, data will be provided to indicate the effectiveness of the mitigation techniques.
Saitow, Masaaki; Kurashige, Yuki; Yanai, Takeshi
2013-07-28
We report development of the multireference configuration interaction (MRCI) method that can use active space scalable to much larger size references than has previously been possible. The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry offers the ability to describe static correlation in a large active space. The present MRCI method provides a critical correction to the DMRG reference by including high-level dynamic correlation through the CI treatment. When the DMRG and MRCI theories are combined (DMRG-MRCI), the full internal contraction of the reference in the MRCI ansatz, including contraction of semi-internal states, plays a central role. However, it is thought to involve formidable complexity because of the presence of the five-particle rank reduced-density matrix (RDM) in the Hamiltonian matrix elements. To address this complexity, we express the Hamiltonian matrix using commutators, which allows the five-particle rank RDM to be canceled out without any approximation. Then we introduce an approximation to the four-particle rank RDM by using a cumulant reconstruction from lower-particle rank RDMs. A computer-aided approach is employed to derive the exceedingly complex equations of the MRCI in tensor-contracted form and to implement them into an efficient parallel computer code. This approach extends to the size-consistency-corrected variants of MRCI, such as the MRCI+Q, MR-ACPF, and MR-AQCC methods. We demonstrate the capability of the DMRG-MRCI method in several benchmark applications, including the evaluation of single-triplet gap of free-base porphyrin using 24 active orbitals.
NASA Technical Reports Server (NTRS)
Nichols, M. E.
1974-01-01
Data obtained from the wind tunnel tests of a scale model of the space shuttle orbiter configuration 140 A/B are presented. The test was conducted at Mach numbers of 2.5, 3.9, and 4.6 with Reynolds numbers from 1.25 million per foot to 5.0 million per foot. Various control surface settings were used ranging from an angle of attack range from minus 4 to plus 42 degrees at zero angle of yaw. Longitudinal stability and control characteristics of the space shuttle configuration were analyzed.
NASA Technical Reports Server (NTRS)
Thau, F. E.; Montgomery, R. C.
1980-01-01
Techniques developed for the control of aircraft under changing operating conditions are used to develop a learning control system structure for a multi-configuration, flexible space vehicle. A configuration identification subsystem that is to be used with a learning algorithm and a memory and control process subsystem is developed. Adaptive gain adjustments can be achieved by this learning approach without prestoring of large blocks of parameter data and without dither signal inputs which will be suppressed during operations for which they are not compatible. The Space Shuttle Solar Electric Propulsion (SEP) experiment is used as a sample problem for the testing of adaptive/learning control system algorithms.
General purpose computer program for interacting supersonic configurations: Programmer's manual
NASA Technical Reports Server (NTRS)
Crill, W.; Dale, B.
1977-01-01
The program ISCON (Interacting Supersonic Configuration) is described. The program is in support of the problem to generate a numerical procedure for determining the unsteady dynamic forces on interacting wings and tails in supersonic flow. Subroutines are presented along with the complete FORTRAN source listing.
The Nonlinear Field Space Theory
NASA Astrophysics Data System (ADS)
Mielczarek, Jakub; Trześniewski, Tomasz
2016-08-01
In recent years the idea that not only the configuration space of particles, i.e. spacetime, but also the corresponding momentum space may have nontrivial geometry has attracted significant attention, especially in the context of quantum gravity. The aim of this letter is to extend this concept to the domain of field theories, by introducing field spaces (i.e. phase spaces of field values) that are not affine spaces. After discussing the motivation and general aspects of our approach we present a detailed analysis of the prototype (quantum) Nonlinear Field Space Theory of a scalar field on the Minkowski background. We show that the nonlinear structure of a field space leads to numerous interesting predictions, including: non-locality, generalization of the uncertainty relations, algebra deformations, constraining of the maximal occupation number, shifting of the vacuum energy and renormalization of the charge and speed of propagation of field excitations. Furthermore, a compact field space is a natural way to implement the ;Principle of finiteness; of physical theories, which once motivated the Born-Infeld theory. Thus the presented framework has a variety of potential applications in the theories of fundamental interactions (e.g. quantum gravity), as well as in condensed matter physics (e.g. continuous spin chains), and can shed new light on the issue of divergences in quantum field theories.
An investigation of a movable mass-attitude stabilization system for artificial-G space
NASA Technical Reports Server (NTRS)
Childs, D. W.
1972-01-01
The application of a single movable mass to generate control torques for the attitude control of space vehicles is discussed. The feasibility of a movable mass control in stabilizing a cable-connected, artificial gravity configuration is proposed. A dynamic model for cable-connected configurations to account for the aggregate motion of the space station and relative torsional motion between the crew quarters and counter weight is developed.
Value-centric design architecture based on analysis of space system characteristics
NASA Astrophysics Data System (ADS)
Xu, Q.; Hollingsworth, P.; Smith, K.
2018-03-01
Emerging design concepts such as miniaturisation, modularity, and standardisation, have contributed to the rapid development of small and inexpensive platforms, particularly cubesats. This has been stimulating an upcoming revolution in space design and development, leading satellites into the era of "smaller, faster, and cheaper". However, the current requirement-centric design philosophy, focused on bespoke monolithic systems, along with the associated development and production process does not inherently fit with the innovative modular, standardised, and mass-produced technologies. This paper presents a new categorisation, characterisation, and value-centric design architecture to address this need for both traditional and novel system designs. Based on the categorisation of system configurations, a characterisation of space systems, comprised of duplication, fractionation, and derivation, is proposed to capture the overall system configuration characteristics and promote potential hybrid designs. Complying with the definitions of the system characterisation, mathematical mapping relations between the system characterisation and the system properties are described to establish the mathematical foundation of the proposed value-centric design methodology. To illustrate the methodology, subsystem reliability relationships are therefore analysed to explore potential system configurations in the design space. The results of the applications of system characteristic analysis clearly show that the effects of different configuration characteristics on the system properties can be effectively analysed and evaluated, enabling the optimization of system configurations.
Potential surfaces for O atom-polymer reactions
NASA Technical Reports Server (NTRS)
Laskowski, B. C.; Jaffe, R. L.
1987-01-01
Ab initio quantum chemistry methods are used to study the energetics of interactions of O atoms with organic compounds. Polyethylene (CH2)n has been chosen as the model system to study the interactions of O(3P) and O(1D) atoms with polymers. In particular, H abstraction is investigated and polyethylene is represented by a C3 (propane) oligomeric model. The gradient method, as implemented in the GRADSCF package of programs, is used to determine the geometries and energies of products and reactants. The saddle point, barrier geometry is determined by minimizing the squares of the gradients of the potential with respect to the internal coordinates. To correctly describe the change in bonding during the reaction at least a two configuration MCSCF (multiconfiguration self consistent field) or GVB (generalized valence bond) wave function has to be used. Basis sets include standard Pople and Dunning sets, however, increased with polarization functions and diffuse p functions on both the C and O atoms. The latter is important due to the O(-) character of the wave function at the saddle point and products. Normal modes and vibrational energy levels are given for the reactants, saddle points and products. Finally, quantitative energetics are obtained by implementing a small CAS (complete active space) approach followed by limited configuration interaction (CI) calculations. Comparisons are made with available experimental data.
Space transportation booster engine configuration study. Addendum: Design definition document
NASA Technical Reports Server (NTRS)
1989-01-01
Gas generator engine characteristics and results of engine configuration refinements are discussed. Updated component mechanical design, performance, and manufacturing information is provided. The results are also provided of ocean recovery studies and various engine integration tasks. The details are provided of the maintenance plan for the Space Transportation Booster Engine.
Practical sliced configuration spaces for curved planar pairs
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sacks, E.
1999-01-01
In this article, the author presents a practical configuration-space computation algorithm for pairs of curved planar parts, based on the general algorithm developed by Bajaj and the author. The general algorithm advances the theoretical understanding of configuration-space computation, but is too slow and fragile for some applications. The new algorithm solves these problems by restricting the analysis to parts bounded by line segments and circular arcs, whereas the general algorithm handles rational parametric curves. The trade-off is worthwhile, because the restricted class handles most robotics and mechanical engineering applications. The algorithm reduces run time by a factor of 60 onmore » nine representative engineering pairs, and by a factor of 9 on two human-knee pairs. It also handles common special pairs by specialized methods. A survey of 2,500 mechanisms shows that these methods cover 90% of pairs and yield an additional factor of 10 reduction in average run time. The theme of this article is that application requirements, as well as intrinsic theoretical interest, should drive configuration-space research.« less
Space station architectural elements model study
NASA Technical Reports Server (NTRS)
Taylor, T. C.; Spencer, J. S.; Rocha, C. J.; Kahn, E.; Cliffton, E.; Carr, C.
1987-01-01
The worksphere, a user controlled computer workstation enclosure, was expanded in scope to an engineering workstation suitable for use on the Space Station as a crewmember desk in orbit. The concept was also explored as a module control station capable of enclosing enough equipment to control the station from each module. The concept has commercial potential for the Space Station and surface workstation applications. The central triangular beam interior configuration was expanded and refined to seven different beam configurations. These included triangular on center, triangular off center, square, hexagonal small, hexagonal medium, hexagonal large and the H beam. Each was explored with some considerations as to the utilities and a suggested evaluation factor methodology was presented. Scale models of each concept were made. The models were helpful in researching the seven beam configurations and determining the negative residual (unused) volume of each configuration. A flexible hardware evaluation factor concept is proposed which could be helpful in evaluating interior space volumes from a human factors point of view. A magnetic version with all the graphics is available from the author or the technical monitor.
NASA Technical Reports Server (NTRS)
Riddick, Stephen E.; Hinton, David A.
2000-01-01
A study has been performed on a computer code modeling an aircraft wake vortex spacing system during final approach. This code represents an initial engineering model of a system to calculate reduced approach separation criteria needed to increase airport productivity. This report evaluates model sensitivity toward various weather conditions (crosswind, crosswind variance, turbulent kinetic energy, and thermal gradient), code configurations (approach corridor option, and wake demise definition), and post-processing techniques (rounding of provided spacing values, and controller time variance).
Energy transfer and correlations in cavity-embedded donor-acceptor configurations.
Reitz, Michael; Mineo, Francesca; Genes, Claudiu
2018-06-13
The rate of energy transfer in donor-acceptor systems can be manipulated via the common interaction with the confined electromagnetic modes of a micro-cavity. We analyze the competition between the near-field short range dipole-dipole energy exchange processes and the cavity mediated long-range interactions in a simplified model consisting of effective two-level quantum emitters that could be relevant for molecules in experiments under cryogenic conditions. We find that free-space collective incoherent interactions, typically associated with sub- and superradiance, can modify the traditional resonant energy transfer scaling with distance. The same holds true for cavity-mediated collective incoherent interactions in a weak-coupling but strong-cooperativity regime. In the strong coupling regime, we elucidate the effect of pumping into cavity polaritons and analytically identify an optimal energy flow regime characterized by equal donor/acceptor Hopfield coefficients in the middle polariton. Finally we quantify the build-up of quantum correlations in the donor-acceptor system via the two-qubit concurrence as a measure of entanglement.
NASA HERMeS Hall Thruster Electrical Configuration Characterization
NASA Technical Reports Server (NTRS)
Peterson, Peter; Kamhawi, Hani; Huang, Wensheng; Yim, John; Herman, Daniel; Williams, George; Gilland, James; Hofer, Richard
2016-01-01
NASAs Hall Effect Rocket with Magnetic Shielding (HERMeS) 12.5 kW Technology Demonstration Unit-1 (TDU-1) Hall thruster has been the subject of extensive technology maturation in preparation for development into a flight ready propulsion system. Part of the technology maturation was to test the TDU-1 thruster in several ground based electrical configurations to assess the thruster robustness and suitability to successful in-space operation. The ground based electrical configuration testing has recently been demonstrated as an important step in understanding and assessing how a Hall thruster may operate differently in space compared to ground based testing, and to determine the best configuration to conduct development and qualification testing. This presentation will cover the electrical configuration testing of the TDU-1 HERMeS Hall thruster in NASA Glenn Research Centers Vacuum Facility 5. The three electrical configurations examined are the thruster body tied to facility ground, thruster floating, and finally the thruster body electrically tied to cathode common. The TDU-1 HERMeS was configured with two different exit plane boundary conditions, dielectric and conducting, to examine the influence on the electrical configuration characterization.
NASA HERMeS Hall Thruster Electrical Configuration Characterization
NASA Technical Reports Server (NTRS)
Peterson, Peter Y.; Kamhawi, Hani; Huang, Wensheng; Yim, John; Herman, Daniel; Williams, George; Gilland, James; Hofer, Richard
2015-01-01
The NASA Hall Effect Rocket with Magnetic Shielding (HERMeS) 12.5 kW Technology Demonstration Unit-1 (TDU-1) Hall thruster has been the subject of extensive technology maturation in preparation for development into a flight ready propulsion system. Part of the technology maturation was to test the TDU-1 thruster in several ground based electrical configurations to assess the thruster robustness and suitability to successful in-space operation. The ground based electrical configuration testing has recently been demonstrated as an important step in understanding and assessing how a Hall thruster may operate differently in-space compared to ground based testing, and to determine the best configuration to conduct development and qualification testing. This paper describes the electrical configuration testing of the HERMeS TDU-1 Hall thruster in NASA Glenn Research Center's Vacuum Facility 5. The three electrical configurations examined were 1) thruster body tied to facility ground, 2) thruster floating, and 3) thruster body electrically tied to cathode common. The HERMeS TDU-1 Hall thruster was also configured with two different exit plane boundary conditions, dielectric and conducting, to examine the influence on the electrical configuration characterization.
NASA Technical Reports Server (NTRS)
Danford, S.; Meindl, J.; Hunt, R.
1985-01-01
Issues of crew productivity during design work on space station are discussed. The crew productivity is defined almost exclusively in terms of human factors engineering and habitability design concerns. While such spatial environmental conditions are necessary to support crew performance and productivity, they are not sufficient to ensure high levels of crew performance and productivity on the post-Initial Operational Configurations (IOC) space station. The role of the organizational environment as a complement to the spatial environment for influencing crew performance in such isolated and confined work settings is examined. Three possible models of operation for post-IOC space station's organizational environment are identified and it is explained how they and space station's spatial environment will combine and interact to occasion patterns of crew behavior is suggested. A three phase program of research design: (1) identify patterns of crew behavior likely to be occasioned on post-IOC space station for each of the three models of operation; and (2) to determine proactive/preventative management strategies which could be adopted to maximize the emergence of preferred outcomes in crew behavior under each of the several spatial and organizational environment combinations.
Nam, Julia EunJu; Mueller, Klaus
2013-02-01
Gaining a true appreciation of high-dimensional space remains difficult since all of the existing high-dimensional space exploration techniques serialize the space travel in some way. This is not so foreign to us since we, when traveling, also experience the world in a serial fashion. But we typically have access to a map to help with positioning, orientation, navigation, and trip planning. Here, we propose a multivariate data exploration tool that compares high-dimensional space navigation with a sightseeing trip. It decomposes this activity into five major tasks: 1) Identify the sights: use a map to identify the sights of interest and their location; 2) Plan the trip: connect the sights of interest along a specifyable path; 3) Go on the trip: travel along the route; 4) Hop off the bus: experience the location, look around, zoom into detail; and 5) Orient and localize: regain bearings in the map. We describe intuitive and interactive tools for all of these tasks, both global navigation within the map and local exploration of the data distributions. For the latter, we describe a polygonal touchpad interface which enables users to smoothly tilt the projection plane in high-dimensional space to produce multivariate scatterplots that best convey the data relationships under investigation. Motion parallax and illustrative motion trails aid in the perception of these transient patterns. We describe the use of our system within two applications: 1) the exploratory discovery of data configurations that best fit a personal preference in the presence of tradeoffs and 2) interactive cluster analysis via cluster sculpting in N-D.
Close packing in curved space by simulated annealing
NASA Astrophysics Data System (ADS)
Wille, L. T.
1987-12-01
The problem of packing spheres of a maximum radius on the surface of a four-dimensional hypersphere is considered. It is shown how near-optimal solutions can be obtained by packing soft spheres, modelled as classical particles interacting under an inverse power potential, followed by a subsequent hardening of the interaction. In order to avoid trapping in high-lying local minima, the simulated annealing method is used to optimise the soft-sphere packing. Several improvements over other work (based on local optimisation of random initial configurations of hard spheres) have been found. The freezing behaviour of this system is discussed as a function of particle number, softness of the potential and cooling rate. Apart from their geometric interest, these results are useful in the study of topological frustration, metallic glasses and quasicrystals.
NASA Astrophysics Data System (ADS)
Iacocca, Ezio; Heinonen, Olle
2017-09-01
Systems that exhibit topologically protected edge states are interesting both from a fundamental point of view as well as for potential applications, the latter because of the absence of backscattering and robustness to perturbations. It is desirable to be able to control and manipulate such edge states. Here, we show that artificial square ices can incorporate both features: an interfacial Dzyaloshinskii-Moriya interaction gives rise to topologically nontrivial magnon bands, and the equilibrium state of the spin ice is reconfigurable with different configurations having different magnon dispersions and topology. The topology is found to develop as odd-symmetry bulk and edge magnon bands approach each other so that constructive band inversion occurs in reciprocal space. Our results show that topologically protected bands are supported in square spin ices.
Subangstrom resolution X-ray structure details aquaporin-water interactions.
Eriksson, Urszula Kosinska; Fischer, Gerhard; Friemann, Rosmarie; Enkavi, Giray; Tajkhorshid, Emad; Neutze, Richard
2013-06-14
Aquaporins are membrane channels that facilitate the flow of water across biological membranes. Two conserved regions are central for selective function: the dual asparagine-proline-alanine (NPA) aquaporin signature motif and the aromatic and arginine selectivity filter (SF). Here, we present the crystal structure of a yeast aquaporin at 0.88 angstrom resolution. We visualize the H-bond donor interactions of the NPA motif's asparagine residues to passing water molecules; observe a polarized water-water H-bond configuration within the channel; assign the tautomeric states of the SF histidine and arginine residues; and observe four SF water positions too closely spaced to be simultaneously occupied. Strongly correlated movements break the connectivity of SF waters to other water molecules within the channel and prevent proton transport via a Grotthuss mechanism.
Hansen, Jared A.; Bauman, Nicholas P.; Shen, Jun; ...
2015-12-09
In this paper, the four, closely spaced, lowest energy electronic states of the challenging, D 4h-symmetric, 1,2,3,4-cyclobutanetetraone (C 4O 4) molecule have been investigated using high-level ab initio methods. The calculated states include the closed-shell singlet 8π( 1A 1g) state, the singlet 10π( 1A 1g) state, in which the π-type lowest unoccupied molecular orbital (LUMO) of the 8π( 1A 1g) reference is doubly occupied and the σ-type highest occupied molecular orbital (HOMO) is empty, and the open-shell singlet and triplet states, designated as 9π( 1B 2u) and 9π( 3B 2u), respectively, originating from single occupancy of the HOMO and LUMO.more » Our focus is on single-reference coupled-cluster (CC) approaches capable of handling electronic near-degeneracies in diradicals, especially the completely renormalised CR-CC(2,3) and active-space CCSDt methods, along with their CCSD and EOMCCSD counterparts. The internally contracted multi-reference configuration interaction calculations with a quasi-degenerate Davidson correction are performed as well. Our computations demonstrate that the state ordering is 9π( 3B 2u) < 8π( 1A 1g) < 9π( 1B 2u) < 10π( 1A 1g) and that the 8π( 1A 1g) - 9π( 3B 2u) gap is in the 7–11 kJ/mol range, in reasonable agreement with the negative ion photoelectron spectroscopy measurements, which give 6.27 ± 0.5 kJ/mol. Finally, in addition to the theory level used, geometry relaxation and basis set play a significant role in determining the state ordering and energy spacings. In particular, it is unsafe to use lower level, non-CC geometries and smaller basis sets.« less
Space Construction Experiment Definition Study (SCEDS), part 3. Volume 2: Study results
NASA Technical Reports Server (NTRS)
1983-01-01
The essential controls and dynamics community needs for a large space structures is addressed by the basic Space Construction Experiments (SCE)/MAST configuration and enhanced configurations for follow-on flights. The SCE/MAST can be integrated on a single structures technology experiments platform (STEP). The experiment objectives can be accomplished without the need for EVA and it is anticipated that further design refinements will eliminate the requirement to use the remote manipulator system.
Space shuttle requirements/configuration evolution
NASA Technical Reports Server (NTRS)
Andrews, E. P.
1991-01-01
Space Shuttle chronology; Space Shuttle comparison; Cost comparison; Performance; Program ground rules; Sizing criteria; Crew/passenger provisions; Space Shuttle Main Engine (SSME) characteristics; Space Shuttle program milestones; and Space Shuttle requirements are outlined. This presentation is represented by viewgraphs.
NASA Technical Reports Server (NTRS)
Barbeau, Zack
2011-01-01
The Habitat Demonstration Unit, or HDU, is a multi-purpose test bed that allows NASA scientists and engineers to design, develop, and test new living quarters, laboratories, and workspaces for the next generation space mission. Previous testing and integration has occurred during 2010 at the annual Desert Research and Technology Studies (Desert RATS) field testing campaign in the Arizona desert. There the HDU team tests the configuration developed for the fiscal year, or FY configuration. For FY2011, the NASA mission calls for simulating a deep space condition. The HDU-DSH, or Deep Space Habitat, will be configured with new systems and modules that will outfit the test bed with new deep space capabilities. One such addition is the new X-HAB (eXploration Habitat) Inflatable Loft. With any deep space mission there is the need for safe, suitable living quarters. The current HDU configuration does not allow for any living space at all. In fact, Desert RATS 2010 saw the crew sleeping in the Space Exploration Vehicles (SEV) instead of the HDU. The X-HAB Challenge pitted three universities against each other: Oklahoma State University, University of Maryland, and the University of Wisconsin. The winning team will have their design implemented by NASA for field testing at DRATS 2011. This paper will highlight the primary objective of getting the X-HAB field ready which involves the implementation of an elevator/handrail system along with smaller logistical and integration tasks associated with getting the HDU-DSH ready for shipment to DRATS.
NASA Technical Reports Server (NTRS)
Russell, C. K.; Malone, T. W.; Cato, S. N.
2004-01-01
The international space welding experiment was designed to evaluate the universal handtool (UHT) functions as a welding, brazing, coating, and cutting tool for in-space operations. The UHT is an electron beam welding system developed by the Paton Welding Institute (PWI), Kiev, Ukraine, and operated a 8 kV with up to 1 kW of power. In preparation for conducting the space welding experiment, cosmonauts were trained to properly operate the UHT and correctly process samples. This Technical Memorandum presents the results of the destructive and nondestructive evaluation of the training samples made in Russia in 1998. It was concluded that acceptable welds can be made with the UHT despite the constraints imposed by a space suit. The lap joint fillet weld configuration was more suitable than the butt joint configuration for operators with limited welding experience. The tube braze joint configuration designed by the PWI was easily brazed in a repeatable manner.
NASA Technical Reports Server (NTRS)
Dziubala, T. J.; Cleary, J. W.
1974-01-01
The primary objective of the test was to obtain stability and control data for the basic configuration and an alternate configuration for the Space Shuttle Orbiter. Pitch runs were made with 0 deg of sideslip at Mach numbers of 5.3, 7.3 and 10.3. Six-component force data and fuselage base pressures were recorded for each run. Shadowgraph pictures were taken at selected points. Model 420 was used for the tests.
NASA Technical Reports Server (NTRS)
Hawthorne, P. J.
1975-01-01
Wind tunnel test data for the modified space shuttle vehicle orbiter is documented. Tests were made at various elevon settings and additionally in wing off/bodyflap off configuration at angles of attack from -5 to 42.5 degrees at zero yaw. Data obtained on high hypersonic longitudinal and lateral directional stability and control characteristics of the updated SSV configuration in an initially diatomic medium are included.
A dynamic model of the radiation-belt electron phase-space density based on POLAR/HIST measurements
NASA Astrophysics Data System (ADS)
Vassiliadis, D.; Green, J. C.
2007-12-01
The response of the energetic-electron phase-space density (PSD) in the radiation belts is subject to a delicate combination of acceleration and loss processes which are strongly determined by the magnetospheric configuration and field disturbance level. We quantify the response of the density to stormtime fields as observed by the HIST detector on board POLAR. Several distinct modes are identified, characterized by peak second- and third- adiabatic invariants and peak delay time. The modes represent quasiadiabatic transport due to ring current activity; high L* (~6), day-long acceleration linked to ULF wave-particle interaction; and low-L* (~3), minute- to hour-long acceleration interpreted to be due to transient inductive fields or VLF wave-particle interaction. The net transport due to these responses is not always or everywhere diffusive, therefore we quantify the degree of departure from diffusive transport for specific storm intervals and radial ranges. Taken together the response modes comprise a dynamic, nonlinear model which allows us to better understand the historic variability of the high-energy tail of the electron distribution in the inner magnetosphere.
NASA Technical Reports Server (NTRS)
Green, S.
1972-01-01
Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.
Resource configuration and abundance affect space use of a cooperatively breeding resident bird
Richard A. Stanton; Dylan C. Kesler; Frank R. Thompson III
2014-01-01
Movement and space use of birds is driven by activities associated with acquiring and maintaining access to critical resources. Thus, the spatial configuration of resources within home ranges should influence bird movements, and resource values should be relative to their locations. We radio-tracked 22 Brown-headed Nuthatches (Sitta pusilla) and...
Study of solid rocket motor for space shuttle booster. Volume 4: Cost
NASA Technical Reports Server (NTRS)
1972-01-01
The cost data for solid propellant rocket engines for use with the space shuttle are presented. The data are based on the selected 156 inch parallel and series burn configurations. Summary cost data are provided for the production of the 120 inch and 260 inch configurations. Graphs depicting parametric cost estimating relationships are included.
Space Station Freedom regenerative water recovery system configuration selection
NASA Technical Reports Server (NTRS)
Reysa, R.; Edwards, J.
1991-01-01
The Space Station Freedom (SSF) must recover water from various waste water sources to reduce 90 day water resupply demands for a four/eight person crew. The water recovery system options considered are summarized together with system configuration merits and demerits, resource advantages and disadvantages, and water quality considerations used to select the SSF water recovery system.
External tank project new technology plan. [development of space shuttle external tank system
NASA Technical Reports Server (NTRS)
1973-01-01
A production plan for the space shuttle external tank configuration is presented. The subjects discussed are: (1) the thermal protection system, (2) thermal coating application techniques, (3) manufacturing and tooling, (4) propulsion system configurations and components, (5) low temperature rotating and sliding joint seals, (6) lightning protection, and (7) nondestructive testing technology.
NASA Astrophysics Data System (ADS)
Bui, Huu Nguyen; Pham, Thanh Son; Ngo, Viet; Lee, Jong-Wook
2017-09-01
Controlling power to an unintended area is an important issue for enabling wireless power transfer (WPT) systems. The control allows us to enhance efficiency as well as suppress unnecessary flux leakage. The flux leakage from WPT can be reduced effectively via selective field localization. To realize field localization, we propose the use of cavities formed on a single metamaterial slab that acts as a defected metasurface. The cavity is formed by strong field confinement using a hybridization bandgap (HBG), which is created by wave interaction with a two-dimensional array of local resonators on the metasurface. This approach using an HBG demonstrates strong field localization around the cavity regions. Motivated by this result, we further investigate various cavity configurations for different sizes of the transmitter (Tx) and receiver (Rx) resonators. Experiments show that the area of field localization increases with the number of cavities, confirming the successful control of different cavity configurations on the metasurface. Transmission measurements of different cavities show that the number of cavities is an important parameter for efficiency, and excess cavities do not enhance the efficiency but increase unnecessary power leakage. Thus, there exists an optimum number of cavities for a given size ratio between the Tx and Rx resonators. For a 6:1 size ratio, this approach achieves efficiency improvements of 3.69× and 1.59× compared to free space and a uniform metasurface, respectively. For 10:1 and 10:2 size ratios, the efficiency improvements are 3.26× and 1.98× compared to free space and a uniform metasurface, respectively.
Zou, Wenli; Liu, Wenjian
2009-03-01
The low-lying electronic states of TlX (X=F, Cl, Br, I, and At) are investigated using the configuration interaction based complete active space third-order perturbation theory [CASPT3(CI)] with spin-orbit coupling accounted for. The potential energy curves and the corresponding spectroscopic constants are reported. The results are grossly in good agreement with the available experimental data. The absorption spectra are simulated as well to reassign the experimental bands. The present results are also useful for guiding future experimental measurements.
The nuclear shell model toward the drip lines
NASA Astrophysics Data System (ADS)
Poves, A.; Caurier, E.; Nowacki, F.; Sieja, K.
2012-10-01
We describe the 'islands of inversion' that occur when approaching the neutron drip line around the magic numbers N=20, N=28 and N=40 in the framework of the interacting shell model in very large valence spaces. We explain these configuration inversions (and the associated shape transitions) as the result of the competition between the spherical mean field (monopole) that favors magicity and the correlations (multipole) that favor deformed intruder states. We also show that the N=20 and N=28 islands are in reality a single one, which for the magnesium isotopes is limited by N=18 and N=32.
A New Potential Energy Surface for N+O2: Is There an NOO Minimum?
NASA Technical Reports Server (NTRS)
Walch, Stephen P.
1995-01-01
We report a new calculation of the N+02 potential energy surface using complete active space self-consistent field internally contracted configuration interaction with the Dunning correlation consistent basis sets. The peroxy isomer of N02 is found to be a very shallow minimum separated from NO+O by a barrier of only 0.3 kcal/mol (excluding zero-point effects). The entrance channel barrier height is estimated to be 8.6 kcal/mol for ICCI+Q calculations correlating all but the Ols and N1s electrons with a cc-p VQZ basis set.
NΩ interaction from two approaches in lattice QCD
NASA Astrophysics Data System (ADS)
Etminan, Faisal; Firoozabadi, Mohammad Mehdi
2014-10-01
We compare the standard finite volume method by Lüscher with the potential method by HAL QCD collaboration, by calculating the ground state energy of N(nucleon)-Ω(Omega) system in 5 S2 channel. We employ 2+1 flavor full QCD configurations on a (1.9 fm)3×3.8 fm lattice at the lattice spacing a≃0.12 fm, whose ud(s) quark mass corresponds to mπ = 875(1) (mK = 916(1)) MeV. We have found that both methods give reasonably consistent results that there is one NΩ bound state at this parameter.
Blunt, Nick S.; Neuscamman, Eric
2017-11-16
We present a simple and efficient wave function ansatz for the treatment of excited charge-transfer states in real-space quantum Monte Carlo methods. Using the recently-introduced variation-after-response method, this ansatz allows a crucial orbital optimization step to be performed beyond a configuration interaction singles expansion, while only requiring calculation of two Slater determinant objects. As a result, we demonstrate this ansatz for the illustrative example of the stretched LiF molecule, for a range of excited states of formaldehyde, and finally for the more challenging ethylene-tetrafluoroethylene molecule.
Tile-based Level of Detail for the Parallel Age
DOE Office of Scientific and Technical Information (OSTI.GOV)
Niski, K; Cohen, J D
Today's PCs incorporate multiple CPUs and GPUs and are easily arranged in clusters for high-performance, interactive graphics. We present an approach based on hierarchical, screen-space tiles to parallelizing rendering with level of detail. Adapt tiles, render tiles, and machine tiles are associated with CPUs, GPUs, and PCs, respectively, to efficiently parallelize the workload with good resource utilization. Adaptive tile sizes provide load balancing while our level of detail system allows total and independent management of the load on CPUs and GPUs. We demonstrate our approach on parallel configurations consisting of both single PCs and a cluster of PCs.
An atomistic geometrical model of the B-DNA configuration for DNA-radiation interaction simulations
NASA Astrophysics Data System (ADS)
Bernal, M. A.; Sikansi, D.; Cavalcante, F.; Incerti, S.; Champion, C.; Ivanchenko, V.; Francis, Z.
2013-12-01
In this paper, an atomistic geometrical model for the B-DNA configuration is explained. This model accounts for five organization levels of the DNA, up to the 30 nm chromatin fiber. However, fragments of this fiber can be used to construct the whole genome. The algorithm developed in this work is capable to determine which is the closest atom with respect to an arbitrary point in space. It can be used in any application in which a DNA geometrical model is needed, for instance, in investigations related to the effects of ionizing radiations on the human genetic material. Successful consistency checks were carried out to test the proposed model. Catalogue identifier: AEPZ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEPZ_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1245 No. of bytes in distributed program, including test data, etc.: 6574 Distribution format: tar.gz Programming language: FORTRAN. Computer: Any. Operating system: Multi-platform. RAM: 2 Gb Classification: 3. Nature of problem: The Monte Carlo method is used to simulate the interaction of ionizing radiation with the human genetic material in order to determine DNA damage yields per unit absorbed dose. To accomplish this task, an algorithm to determine if a given energy deposition lies within a given target is needed. This target can be an atom or any other structure of the genetic material. Solution method: This is a stand-alone subroutine describing an atomic-resolution geometrical model of the B-DNA configuration. It is able to determine the closest atom to an arbitrary point in space. This model accounts for five organization levels of the human genetic material, from the nucleotide pair up to the 30 nm chromatin fiber. This subroutine carries out a series of coordinate transformations to find which is the closest atom containing an arbitrary point in space. Atom sizes are according to the corresponding van der Waals radii. Restrictions: The geometrical model presented here does not include the chromosome organization level but it could be easily build up by using fragments of the 30 nm chromatin fiber. Unusual features: To our knowledge, this is the first open source atomic-resolution DNA geometrical model developed for DNA-radiation interaction Monte Carlo simulations. In our tests, the current model took into account the explicit position of about 56×106 atoms, although the user may enhance this amount according to the necessities. Running time: This subroutine can process about 2 million points within a few minutes in a typical current computer.
Space shuttle system program definition. Volume 2: Technical report
NASA Technical Reports Server (NTRS)
1972-01-01
The Phase B Extension of the Space Shuttle System Program Definition study was redirected to apply primary effort to consideration of space shuttle systems utilizing either recoverable pressure fed liquids or expendable solid rocket motor boosters. Two orbiter configurations were to be considered, one with a 15x60 foot payload bay with a 65,000 lb, due East, up-payload capability and the other with a 14x45 payload bay with 45,000 lb, of due East, up-payload. Both were to use three SSME engines with 472,000 lb of vacuum thrust each. Parallel and series burn ascent modes were to be considered for the launch configurations of primary interest. A recoverable pump-fed booster is included in the study in a series burn configuration with the 15x60 orbiter. To explore the potential of the swing engine orbiter configuration in the pad abort case, it is included in the study matrix in two launch configurations, a series burn pressure fed BRB and a parallel burn SRM. The resulting matrix of configuration options is shown. The principle objectives of this study are to evaluate the cost and technical differences between the liquid and solid propellant booster systems and to assess the development and operational cost savings available with a smaller orbiter.
Selection of Lockheed Martin's Preferred TSTO Configurations for the Space Launch Initiative
NASA Technical Reports Server (NTRS)
Hopkins, Joshua B.
2002-01-01
Lockheed Martin is developing concepts for safe, affordable Two Stage to Orbit (TSTO) reusable launch vehicles as part of NASA s Space Launch Initiaiive. This paper discusses the options considered for the design of the TSTO, the impact of each of these options on the vehicle configuration, the criteria used for selection of preferred configurations, and the results of the selection process. More than twenty configurations were developed in detail in order to compare optioiis such as propellant choice, serial vs. parallel burn sequence, use of propellant crossfeed between stages, bimese or optimized stage designs, and high or low staging velocities. Each configuration was analyzed not only for performance and sizing, but also for cost and reliability. The study concluded that kerosene was the superior fuel for first stages, and that bimese vehicles were not attractive.
Architecture of interstitial nodal spaces in the rodent renal inner medulla.
Gilbert, Rebecca L; Pannabecker, Thomas L
2013-09-01
Every collecting duct (CD) of the rat inner medulla is uniformly surrounded by about four abutting ascending vasa recta (AVR) running parallel to it. One or two ascending thin limbs (ATLs) lie between and parallel to each abutting AVR pair, opposite the CD. These structures form boundaries of axially running interstitial compartments. Viewed in transverse sections, these compartments appear as four interstitial nodal spaces (INSs) positioned symmetrically around each CD. The axially running compartments are segmented by interstitial cells spaced at regular intervals. The pairing of ATLs and CDs bounded by an abundant supply of AVR carrying reabsorbed water, NaCl, and urea make a strong argument that the mixing of NaCl and urea within the INSs and countercurrent flows play a critical role in generating the inner medullary osmotic gradient. The results of this study fully support that hypothesis. We quantified interactions of all structures comprising INSs along the corticopapillary axis for two rodent species, the Munich-Wistar rat and the kangaroo rat. The results showed remarkable similarities in the configurations of INSs, suggesting that the structural arrangement of INSs is a highly conserved architecture that plays a fundamental role in renal function. The number density of INSs along the corticopapillary axis directly correlated with a loop population that declines exponentially with distance below the outer medullary-inner medullary boundary. The axial configurations were consistent with discrete association between near-bend loop segments and INSs and with upper loop segments lying distant from INSs.
Architecture of interstitial nodal spaces in the rodent renal inner medulla
Gilbert, Rebecca L.
2013-01-01
Every collecting duct (CD) of the rat inner medulla is uniformly surrounded by about four abutting ascending vasa recta (AVR) running parallel to it. One or two ascending thin limbs (ATLs) lie between and parallel to each abutting AVR pair, opposite the CD. These structures form boundaries of axially running interstitial compartments. Viewed in transverse sections, these compartments appear as four interstitial nodal spaces (INSs) positioned symmetrically around each CD. The axially running compartments are segmented by interstitial cells spaced at regular intervals. The pairing of ATLs and CDs bounded by an abundant supply of AVR carrying reabsorbed water, NaCl, and urea make a strong argument that the mixing of NaCl and urea within the INSs and countercurrent flows play a critical role in generating the inner medullary osmotic gradient. The results of this study fully support that hypothesis. We quantified interactions of all structures comprising INSs along the corticopapillary axis for two rodent species, the Munich-Wistar rat and the kangaroo rat. The results showed remarkable similarities in the configurations of INSs, suggesting that the structural arrangement of INSs is a highly conserved architecture that plays a fundamental role in renal function. The number density of INSs along the corticopapillary axis directly correlated with a loop population that declines exponentially with distance below the outer medullary-inner medullary boundary. The axial configurations were consistent with discrete association between near-bend loop segments and INSs and with upper loop segments lying distant from INSs. PMID:23825077
Psychoacoustic Testing of Modulated Blade Spacing for Main Rotors
NASA Technical Reports Server (NTRS)
Edwards, Bryan; Booth, Earl R., Jr. (Technical Monitor)
2002-01-01
Psychoacoustic testing of simulated helicopter main rotor noise is described, and the subjective results are presented. The objective of these tests was to evaluate the potential acoustic benefits of main rotors with modulated (uneven) blade spacing. Sound simulations were prepared for six main rotor configurations. A baseline 4-blade main rotor with regular blade spacing was based on the Bell Model 427 helicopter. A 5-blade main rotor with regular spacing was designed to approximate the performance of the 427, but at reduced tipspeed. Four modulated rotors - one with "optimum" spacing and three alternate configurations - were derived from the 5 bladed regular spacing rotor. The sounds were played to 2 subjects at a time, with care being taken in the speaker selection and placement to ensure that the sounds were identical for each subject. A total of 40 subjects participated. For each rotor configuration, the listeners were asked to evaluate the sounds in terms of noisiness. The test results indicate little to no "annoyance" benefit for the modulated blade spacing. In general, the subjects preferred the sound of the 5-blade regular spaced rotor over any of the modulated ones. A conclusion is that modulated blade spacing is not a promising design feature to reduce the annoyance for helicopter main rotors.
Theis, Daniel; Ivanic, Joseph; Windus, Theresa L.; ...
2016-03-10
The metastable ring structure of the ozone 1 1A 1 ground state, which theoretical calculations have shown to exist, has so far eluded experimental detection. An accurate prediction for the energy difference between this isomer and the lower open structure is therefore of interest, as is a prediction for the isomerization barrier between them, which results from interactions between the lowest two 1A 1 states. In the present work, valence correlated energies of the 1 1A 1 state and the 2 1A 1 state were calculated at the 1 1A 1 open minimum, the 1 1A 1 ring minimum, themore » transition state between these two minima, the minimum of the 2 1A 1 state, and the conical intersection between the two states. The geometries were determined at the full-valence multi-configuration self-consistent-field level. Configuration interaction (CI) expansions up to quadruple excitations were calculated with triple-zeta atomic basis sets. The CI expansions based on eight different reference configuration spaces were explored. To obtain some of the quadruple excitation energies, the method of CorrelationEnergy Extrapolation by Intrinsic Scaling was generalized to the simultaneous extrapolation for two states. This extrapolation method was shown to be very accurate. On the other hand, none of the CI expansions were found to have converged to millihartree (mh) accuracy at the quadruple excitation level. The data suggest that convergence to mh accuracy is probably attained at the sextuple excitation level. On the 11A1 state, the present calculations yield the estimates of (ring minimum—open minimum) ~45–50 mh and (transition state—open minimum) ~85–90 mh. For the (2 1A 1– 1A 1) excitation energy, the estimate of ~130–170 mh is found at the open minimum and 270–310 mh at the ring minimum. At the transition state, the difference (2 1A 1– 1A 1) is found to be between 1 and 10 mh. The geometry of the transition state on the 11A1 surface and that of the minimum on the 2 1A 1 surface nearly coincide. More accurate predictions of the energydifferences also require CI expansions to at least sextuple excitations with respect to the valence space. Furthermore, for every wave function considered, the omission of the correlations of the 2s oxygen orbitals, which is a widely used approximation, was found to cause errors of about ±10 mh with respect to the energy differences.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Theis, Daniel; Ivanic, Joseph; Windus, Theresa L.
The metastable ring structure of the ozone 1 1A 1 ground state, which theoretical calculations have shown to exist, has so far eluded experimental detection. An accurate prediction for the energy difference between this isomer and the lower open structure is therefore of interest, as is a prediction for the isomerization barrier between them, which results from interactions between the lowest two 1A 1 states. In the present work, valence correlated energies of the 1 1A 1 state and the 2 1A 1 state were calculated at the 1 1A 1 open minimum, the 1 1A 1 ring minimum, themore » transition state between these two minima, the minimum of the 2 1A 1 state, and the conical intersection between the two states. The geometries were determined at the full-valence multi-configuration self-consistent-field level. Configuration interaction (CI) expansions up to quadruple excitations were calculated with triple-zeta atomic basis sets. The CI expansions based on eight different reference configuration spaces were explored. To obtain some of the quadruple excitation energies, the method of CorrelationEnergy Extrapolation by Intrinsic Scaling was generalized to the simultaneous extrapolation for two states. This extrapolation method was shown to be very accurate. On the other hand, none of the CI expansions were found to have converged to millihartree (mh) accuracy at the quadruple excitation level. The data suggest that convergence to mh accuracy is probably attained at the sextuple excitation level. On the 11A1 state, the present calculations yield the estimates of (ring minimum—open minimum) ~45–50 mh and (transition state—open minimum) ~85–90 mh. For the (2 1A 1– 1A 1) excitation energy, the estimate of ~130–170 mh is found at the open minimum and 270–310 mh at the ring minimum. At the transition state, the difference (2 1A 1– 1A 1) is found to be between 1 and 10 mh. The geometry of the transition state on the 11A1 surface and that of the minimum on the 2 1A 1 surface nearly coincide. More accurate predictions of the energydifferences also require CI expansions to at least sextuple excitations with respect to the valence space. Furthermore, for every wave function considered, the omission of the correlations of the 2s oxygen orbitals, which is a widely used approximation, was found to cause errors of about ±10 mh with respect to the energy differences.« less
Topuria, T; Gogebashvili, N; Korsantia, B
2005-11-01
During transformation from inanimate to living, change of the space position of the matter causes the change of the field, as the space does not exist without the field, therefore the time-space as the properties of material substances, should undergo certain changes. The outside inanimate system, in this case a matrix, has its own time. The living system, in this case a cell, where the matter undergoes space conformation with the change of field and space-time, has its own time and it has begun to flow more rapidly than in matrix. From the surface of the body, from different energetic reservoirs oppositely charged matter substances following from special transport systems from the life system transmitted into lifeless one and change their matter space conformation, create transmission gradient that is the gradient border of time from lifeless system into live. In the case of a human, hypothetically, the gradient system of time must be of a complex scheme counting the inter-transformation and interaction gradients of outer and inner abdominal systems. Subconscious and consciousness by means of special links and messages, information selection interact and form unique connection between the systems. Subconscious serves for accelerated time system. Conscious by means of permanent contact with the environment collects and reacts in matrix time system By interconnection of these two systems ideal adaptation with the environment takes place. Time difference gradient system is an additional energy factor, by means of which respective ordered geometrical structures special for the given types are formed. The living organism is an inter-regulated interconnection global system resulting from the changes of matter and material substances space configuration.
Excitation energies of particle-hole states in {sup 208}Pb and the surface delta interaction
DOE Office of Scientific and Technical Information (OSTI.GOV)
Heusler, A., E-mail: A.Heusler@mpi-hd.mpg.de; Jolos, R. V., E-mail: Jolos@theor.jinr.ru; Brentano, P. von, E-mail: Brentano@ikp.uni-koeln.de
2013-07-15
The schematic shell model without residual interaction (SSM) assumes the same excitation energy for all spins in each particle-hole configuration multiplet. In {sup 208}Pb, more than forty states are known to contain almost the full strength of a single particle-hole configuration. The experimental excitation energy for a state with a certain spin differs from the energy predicted by the SSM by -0.2 to +0.6 MeV. The multiplet splitting is calculated with the surface delta interaction; it corresponds to the diagonal matrix element of the residual interaction in the SSM. For states containing more than 90% strength of a certain configurationmore » and for the centroid of several completely observed configurations, the calculated multiplet splitting often approximates the experimental excitation energy within 30 keV. The strong mixing within some pairs of states containing the full strengths of two configurations is explained.« less
Ringer, Ashley L.; Senenko, Anastasia; Sherrill, C. David
2007-01-01
S/π interactions are prevalent in biochemistry and play an important role in protein folding and stabilization. Geometries of cysteine/aromatic interactions found in crystal structures from the Brookhaven Protein Data Bank (PDB) are analyzed and compared with the equilibrium configurations predicted by high-level quantum mechanical results for the H2S–benzene complex. A correlation is observed between the energetically favorable configurations on the quantum mechanical potential energy surface of the H2S–benzene model and the cysteine/aromatic configurations most frequently found in crystal structures of the PDB. In contrast to some previous PDB analyses, configurations with the sulfur over the aromatic ring are found to be the most important. Our results suggest that accurate quantum computations on models of noncovalent interactions may be helpful in understanding the structures of proteins and other complex systems. PMID:17766371
Mechanisms associated with the high adsorption of dibenzo-p-dioxin from water by smectite clays.
Liu, Cun; Li, Hui; Teppen, Brian J; Johnston, Cliff T; Boyd, Stephen A
2009-04-15
Clay minerals may be an important unrecognized sorptive phase for dioxins in soils and clay deposits. Smectites, especially Cs-saponite, effectively adsorbed dibenzo-p-dioxin (DD) from water, reaching 0.8% (wt/wt). Adsorption was promoted by exchangeable cations with low hydration energies, and negative charge in the smectite arising from the tetrahedral siloxane sheets. X-ray diffraction measurements revealed that as DD loading increased to > or =8000 mg/kg the clay basal spacing increased abruptly from 12.3 to 15.2 A demonstrating DD intercalation. The 12.3 A spacing provides an interlayer distance that closely matches the molecular thickness of DD. In this configuration DD is essentially dehydrated as it interacts with the opposing hydrophobic siloxane sheets and with coplanar Cs+ via one of the dioxin ring oxygens. Ab initio calculations suggest that geometrical structures form at higher loadings in which intercalated DD molecules adopt a butterfly geometry sandwiched between dehydrated interlayer Cs+ and the siloxane surface, consistent with the 15.2 A spacing, wherein Cs+ interacts with dioxin ring oxygens and benzene ring pi-electrons. Fourier transformation infrared measurements confirm that adsorbed DD is present in orientations that are not parallel with the interlayer planar siloxane surfaces of smectite.
Space tug thermal control follow-on
NASA Technical Reports Server (NTRS)
Ward, T. L.
1975-01-01
The Space Tug Thermal Control Follow-On program was conducted to further explore some of the thermal control concepts proposed for use in space tug in a breadboard test program. The objectives were to demonstrate the thermal control capabilities of a louver/battery configuration and a thermal conditioning panel/heat pipe radiator configuration. An additional objective was added to model the header pipe and radiator of the second test and correlate the analysis with the test results. These three objectives were achieved and are discussed within this report.
NASA Astrophysics Data System (ADS)
Chen, Jie; Lu, Feng
2006-10-01
Movement in a spatial system is produced and determined by the structure of the complex space itself, rather than special attractors within the whole spatial system. Based on this theory of space syntax, tourists' convergence and dispersal in the Palace Museum should be originated by the distribution of the internal constructions form. This article presents an application of the space syntax approach to the Palace Museum. After analyzing its internal spatial configuration, as a conclusion, the paper provides some rational advices so as to facilitate tourists as well as protect our invaluable cultural heritage.
Space station needs, attributes and architectural options: Study summary
NASA Technical Reports Server (NTRS)
1983-01-01
Space station needs, attributes, and architectural options that affect the future implementation and design of a space station system are examined. Requirements for candidate missions are used to define functional attributes of a space station. Station elements that perform these functions form the basic station architecture. Alternative ways to accomplish these functions are defined and configuration concepts are developed and evaluated. Configuration analyses are carried to the point that budgetary cost estimates of alternate approaches could be made. Emphasis is placed on differential costs for station support elements and benefits that accrue through use of the station.
Wu, Yao; Dai, Xiaodong; Huang, Niu; Zhao, Lifeng
2013-06-05
In force field parameter development using ab initio potential energy surfaces (PES) as target data, an important but often neglected matter is the lack of a weighting scheme with optimal discrimination power to fit the target data. Here, we developed a novel partition function-based weighting scheme, which not only fits the target potential energies exponentially like the general Boltzmann weighting method, but also reduces the effect of fitting errors leading to overfitting. The van der Waals (vdW) parameters of benzene and propane were reparameterized by using the new weighting scheme to fit the high-level ab initio PESs probed by a water molecule in global configurational space. The molecular simulation results indicate that the newly derived parameters are capable of reproducing experimental properties in a broader range of temperatures, which supports the partition function-based weighting scheme. Our simulation results also suggest that structural properties are more sensitive to vdW parameters than partial atomic charge parameters in these systems although the electrostatic interactions are still important in energetic properties. As no prerequisite conditions are required, the partition function-based weighting method may be applied in developing any types of force field parameters. Copyright © 2013 Wiley Periodicals, Inc.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mai, Sebastian; Marquetand, Philipp; González, Leticia
2014-08-21
An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbitmore » coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.« less
Guna, Jože; Jakus, Grega; Pogačnik, Matevž; Tomažič, Sašo; Sodnik, Jaka
2014-02-21
We present the results of an evaluation of the performance of the Leap Motion Controller with the aid of a professional, high-precision, fast motion tracking system. A set of static and dynamic measurements was performed with different numbers of tracking objects and configurations. For the static measurements, a plastic arm model simulating a human arm was used. A set of 37 reference locations was selected to cover the controller's sensory space. For the dynamic measurements, a special V-shaped tool, consisting of two tracking objects maintaining a constant distance between them, was created to simulate two human fingers. In the static scenario, the standard deviation was less than 0.5 mm. The linear correlation revealed a significant increase in the standard deviation when moving away from the controller. The results of the dynamic scenario revealed the inconsistent performance of the controller, with a significant drop in accuracy for samples taken more than 250 mm above the controller's surface. The Leap Motion Controller undoubtedly represents a revolutionary input device for gesture-based human-computer interaction; however, due to its rather limited sensory space and inconsistent sampling frequency, in its current configuration it cannot currently be used as a professional tracking system.
Guna, Jože; Jakus, Grega; Pogačnik, Matevž; Tomažič, Sašo; Sodnik, Jaka
2014-01-01
We present the results of an evaluation of the performance of the Leap Motion Controller with the aid of a professional, high-precision, fast motion tracking system. A set of static and dynamic measurements was performed with different numbers of tracking objects and configurations. For the static measurements, a plastic arm model simulating a human arm was used. A set of 37 reference locations was selected to cover the controller's sensory space. For the dynamic measurements, a special V-shaped tool, consisting of two tracking objects maintaining a constant distance between them, was created to simulate two human fingers. In the static scenario, the standard deviation was less than 0.5 mm. The linear correlation revealed a significant increase in the standard deviation when moving away from the controller. The results of the dynamic scenario revealed the inconsistent performance of the controller, with a significant drop in accuracy for samples taken more than 250 mm above the controller's surface. The Leap Motion Controller undoubtedly represents a revolutionary input device for gesture-based human-computer interaction; however, due to its rather limited sensory space and inconsistent sampling frequency, in its current configuration it cannot currently be used as a professional tracking system. PMID:24566635
A discrete particle model reproducing collective dynamics of a bee swarm.
Bernardi, Sara; Colombi, Annachiara; Scianna, Marco
2018-02-01
In this article, we present a microscopic discrete mathematical model describing collective dynamics of a bee swarm. More specifically, each bee is set to move according to individual strategies and social interactions, the former involving the desire to reach a target destination, the latter accounting for repulsive/attractive stimuli and for alignment processes. The insects tend in fact to remain sufficiently close to the rest of the population, while avoiding collisions, and they are able to track and synchronize their movement to the flight of a given set of neighbors within their visual field. The resulting collective behavior of the bee cloud therefore emerges from non-local short/long-range interactions. Differently from similar approaches present in the literature, we here test different alignment mechanisms (i.e., based either on an Euclidean or on a topological neighborhood metric), which have an impact also on the other social components characterizing insect behavior. A series of numerical realizations then shows the phenomenology of the swarm (in terms of pattern configuration, collective productive movement, and flight synchronization) in different regions of the space of free model parameters (i.e., strength of attractive/repulsive forces, extension of the interaction regions). In this respect, constraints in the possible variations of such coefficients are here given both by reasonable empirical observations and by analytical results on some stability characteristics of the defined pairwise interaction kernels, which have to assure a realistic crystalline configuration of the swarm. An analysis of the effect of unconscious random fluctuations of bee dynamics is also provided. Copyright © 2018 Elsevier Ltd. All rights reserved.
Feedback Controlled Colloidal Assembly at Fluid Interfaces
NASA Astrophysics Data System (ADS)
Bevan, Michael
The autonomous and reversible assembly of colloidal nano- and micro- scale components into ordered configurations is often suggested as a scalable process capable of manufacturing meta-materials with exotic electromagnetic properties. As a result, there is strong interest in understanding how thermal motion, particle interactions, patterned surfaces, and external fields can be optimally coupled to robustly control the assembly of colloidal components into hierarchically structured functional meta-materials. We approach this problem by directly relating equilibrium and dynamic colloidal microstructures to kT-scale energy landscapes mediated by colloidal forces, physically and chemically patterned surfaces, multiphase fluid interfaces, and electromagnetic fields. 3D colloidal trajectories are measured in real-space and real-time with nanometer resolution using an integrated suite of evanescent wave, video, and confocal microscopy methods. Equilibrium structures are connected to energy landscapes via statistical mechanical models. The dynamic evolution of initially disordered colloidal fluid configurations into colloidal crystals in the presence of tunable interactions (electromagnetic field mediated interactions, particle-interface interactions) is modeled using a novel approach based on fitting the Fokker-Planck equation to experimental microscopy and computer simulated assembly trajectories. This approach is based on the use of reaction coordinates that capture important microstructural features of crystallization processes and quantify both statistical mechanical (free energy) and fluid mechanical (hydrodynamic) contributions. Ultimately, we demonstrate real-time control of assembly, disassembly, and repair of colloidal crystals using both open loop and closed loop control to produce perfectly ordered colloidal microstructures. This approach is demonstrated for close packed colloidal crystals of spherical particles at fluid-solid interfaces and is being extended to anisotropic particles and multiphase fluid interfaces.
NASA Astrophysics Data System (ADS)
Culp, Robert D.; Zietz, Richard P.
The present volume on guidance and control discusses advances in guidance, navigation, and control, guidance and control storyboard displays, space robotic control, spacecraft control and flexible body interaction, and the Mission to Planet Earth. Attention is given to applications of Newton's method to attitude determination, a new family of low-cost momentum/reaction wheels, stellar attitude data handling, and satellite life prediction using propellant quantity measurements. Topics addressed include robust manipulator controller specification and design, implementations and applications of a manipulator control testbed, optimizing transparency in teleoperator architectures, and MIMO system identification using frequency response data. Also discussed are instrument configurations for the restructured Earth Observing System, the HIRIS instrument, clouds and the earth's radiant energy system, and large space-based systems for dealing with global change.
Columbus system support for telescience operations
NASA Technical Reports Server (NTRS)
Lytton, David W.; Schulze, Rolf
1993-01-01
With the given constraints of the space environment, the telescience concept aims at providing a space mission user with optimum flexibility and responsiveness for spaceborne investigations. The concept includes automated system management functions, which allocate and monitor planned resources and time windows, within which the investigator can perform his science interactively responding 'on-line' to experimental data. During the telescience operation, the user is given the capability to send telecommands to the payload from the User Home Base with transparency to the rest of the system. Any violation of the 'booked' time and resources will be detected by the system and reported back to the user for appropriate action. Ultimately, the system will react to maintain the integrity of the system and its payload. Upon completion of the telescience session, the system management function reverses the system configuration and deallocates resources automatically.
Off-line programming motion and process commands for robotic welding of Space Shuttle main engines
NASA Technical Reports Server (NTRS)
Ruokangas, C. C.; Guthmiller, W. A.; Pierson, B. L.; Sliwinski, K. E.; Lee, J. M. F.
1987-01-01
The off-line-programming software and hardware being developed for robotic welding of the Space Shuttle main engine are described and illustrated with diagrams, drawings, graphs, and photographs. The menu-driven workstation-based interactive programming system is designed to permit generation of both motion and process commands for the robotic workcell by weld engineers (with only limited knowledge of programming or CAD systems) on the production floor. Consideration is given to the user interface, geometric-sources interfaces, overall menu structure, weld-parameter data base, and displays of run time and archived data. Ongoing efforts to address limitations related to automatic-downhand-configuration coordinated motion, a lack of source codes for the motion-control software, CAD data incompatibility, interfacing with the robotic workcell, and definition of the welding data base are discussed.
Velocity Space Evolution of Dayside Reconnection Outflow
NASA Astrophysics Data System (ADS)
Broll, J. M.; Fuselier, S. A.; Trattner, K. J.
2015-12-01
Magnetic reconnection is a universal phenomenon occurring when energy stored in a complicated magnetic field topology is released into the surrounding plasma as the field simplifies its configuration. At Earth's dayside magnetopause, reconnection is responsible for mass and energy input from the solar wind into the magnetosphere. We describe the evolution of the velocity-space evolution of plasma outflow from a dayside magnetic reconnection region. We analyze Cluster magnetopause crossings between 1 and 10 Earth radii from the reconnection X-line predicted by the maximum magnetic shear model. The effects of nonadiabatic processes, such as deformation of the profile due to finite-gyroradius-induced pitch-angle scattering and wave-particle interactions, are described. We compare observations and simulation results to describe the outflow evolution and infer the field-aligned distance between an observation and the reconnection site producing it.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Meng, Ling-Jian
A gamma ray detector apparatus comprises a solid state detector that includes a plurality of anode pixels and at least one cathode. The solid state detector is configured for receiving gamma rays during an interaction and inducing a signal in an anode pixel and in a cathode. An anode pixel readout circuit is coupled to the plurality of anode pixels and is configured to read out and process the induced signal in the anode pixel and provide triggering and addressing information. A waveform sampling circuit is coupled to the at least one cathode and configured to read out and processmore » the induced signal in the cathode and determine energy of the interaction, timing of the interaction, and depth of interaction.« less
Analysis and sizing of Mars aerobrake structure
NASA Technical Reports Server (NTRS)
Raju, I. S.; Craft, W. J.
1993-01-01
A cone-sphere aeroshell structure for aerobraking into Martian atmosphere is studied. Using this structural configuration, a space frame load-bearing structure is proposed. To generate this structure efficiently and to perform a variety of studies of several configurations, a mesh generator that utilizes only a few configurational parameters is developed. A finite element analysis program that analyzes space frame structures was developed. A sizing algorithm that arrives at a minimum mass configuration was developed and integrated into the finite element analysis program. A typical 135-ft-diam aerobrake configuration was analyzed and sized. The minimum mass obtained in this study using high modulus graphite/epoxy composite material members is compared with the masses obtained from two other aerobrake structures using lightweight erectable tetrahedral truss and part-spherical truss configurations. Excellent agreement for the minimum mass was obtained with the three different aerobrake structures. Also, the minimum mass using the present structure was obtained when the supports were not at the base but at about 75 percent of the base diameter.
An experimental study on pile spacing effects under lateral loading in sand.
Khari, Mahdy; Kassim, Khairul Anuar; Adnan, Azlan
2013-01-01
Grouped and single pile behavior differs owing to the impacts of the pile-to-pile interaction. Ultimate lateral resistance and lateral subgrade modulus within a pile group are known as the key parameters in the soil-pile interaction phenomenon. In this study, a series of experimental investigation was carried out on single and group pile subjected to monotonic lateral loadings. Experimental investigations were conducted on twelve model pile groups of configurations 1 × 2, 1 × 3, 2 × 2, 3 × 3, and 3 × 2 for embedded length-to-diameter ratio l/d = 32 into loose and dense sand, spacing from 3 to 6 pile diameter, in parallel and series arrangement. The tests were performed in dry sand from Johor Bahru, Malaysia. To reconstruct the sand samples, the new designed apparatus, Mobile Pluviator, was adopted. The ultimate lateral load is increased 53% in increasing of s/d from 3 to 6 owing to effects of sand relative density. An increasing of the number of piles in-group decreases the group efficiency owing to the increasing of overlapped stress zones and active wedges. A ratio of s/d more than 6d is large enough to eliminate the pile-to-pile interaction and the group effects. It may be more in the loose sand.
An Experimental Study on Pile Spacing Effects under Lateral Loading in Sand
Khari, Mahdy; Kassim, Khairul Anuar; Adnan, Azlan
2013-01-01
Grouped and single pile behavior differs owing to the impacts of the pile-to-pile interaction. Ultimate lateral resistance and lateral subgrade modulus within a pile group are known as the key parameters in the soil-pile interaction phenomenon. In this study, a series of experimental investigation was carried out on single and group pile subjected to monotonic lateral loadings. Experimental investigations were conducted on twelve model pile groups of configurations 1 × 2, 1 × 3, 2 × 2, 3 × 3, and 3 × 2 for embedded length-to-diameter ratio l/d = 32 into loose and dense sand, spacing from 3 to 6 pile diameter, in parallel and series arrangement. The tests were performed in dry sand from Johor Bahru, Malaysia. To reconstruct the sand samples, the new designed apparatus, Mobile Pluviator, was adopted. The ultimate lateral load is increased 53% in increasing of s/d from 3 to 6 owing to effects of sand relative density. An increasing of the number of piles in-group decreases the group efficiency owing to the increasing of overlapped stress zones and active wedges. A ratio of s/d more than 6d is large enough to eliminate the pile-to-pile interaction and the group effects. It may be more in the loose sand. PMID:24453900
NASA Technical Reports Server (NTRS)
Roark, Walt; Cockrell, Dave; Coker, Cindy; Baugher, Charles
2001-01-01
The Microgravity Science Glovebox (MSG) is a versatile research facility designed to permit the flexibility of crew manipulated investigations on the International Space Station (ISS). The MSG configuration has been planned around the concept of an experimental workstation where a variety of experiments can be installed and operated in a fashion very similar to their operation in a ground-based laboratory. The approach has been to provide a large working volume with a significant set of power, data and imaging resources, all enclosed, but accessible by the crew through sealed glove ports. This arrangement allows the advantage of interactive experimentation without unduly compromising the experiment design with restrictions imposed by protective and containment challenges that normally arise in manned space-flight laboratories. In addition, the data and imaging resources allow cooperative monitoring of experiment progress between the crew and ground-based scientists. As ISS utilization evolves, the MSG is scheduled to become a major pathfinder for developing and exploiting the scientific advantages of truly enabling the coupling of experimentation in space with an evaluative response from the crew and investigators.
NASA Technical Reports Server (NTRS)
McNab, A. David; woo, Alex (Technical Monitor)
1999-01-01
Portals, an experimental feature of 4.4BSD, extend the file system name space by exporting certain open () requests to a user-space daemon. A portal daemon is mounted into the file name space as if it were a standard file system. When the kernel resolves a pathname and encounters a portal mount point, the remainder of the path is passed to the portal daemon. Depending on the portal "pathname" and the daemon's configuration, some type of open (2) is performed. The resulting file descriptor is passed back to the kernel which eventually returns it to the user, to whom it appears that a "normal" open has occurred. A proxy portalfs file system is responsible for kernel interaction with the daemon. The overall effect is that the portal daemon performs an open (2) on behalf of the kernel, possibly hiding substantial complexity from the calling process. One particularly useful application is implementing a connection service that allows simple scripts to open network sockets. This paper describes the implementation of portals for LINUX 2.0.
Launch Control Network Engineer
NASA Technical Reports Server (NTRS)
Medeiros, Samantha
2017-01-01
The Spaceport Command and Control System (SCCS) is being built at the Kennedy Space Center in order to successfully launch NASA’s revolutionary vehicle that allows humans to explore further into space than ever before. During my internship, I worked with the Network, Firewall, and Hardware teams that are all contributing to the huge SCCS network project effort. I learned the SCCS network design and the several concepts that are running in the background. I also updated and designed documentation for physical networks that are part of SCCS. This includes being able to assist and build physical installations as well as configurations. I worked with the network design for vehicle telemetry interfaces to the Launch Control System (LCS); this allows the interface to interact with other systems at other NASA locations. This network design includes the Space Launch System (SLS), Interim Cryogenic Propulsion Stage (ICPS), and the Orion Multipurpose Crew Vehicle (MPCV). I worked on the network design and implementation in the Customer Avionics Interface Development and Analysis (CAIDA) lab.
NASA Technical Reports Server (NTRS)
Leonard, Daniel; Parsons, Jeremy W.; Cates, Grant
2014-01-01
In May 2013, NASA's GSDO Program requested a study to develop a discrete event simulation (DES) model that analyzes the launch campaign process of the Space Launch System (SLS) from an integrated commodities perspective. The scope of the study includes launch countdown and scrub turnaround and focuses on four core launch commodities: hydrogen, oxygen, nitrogen, and helium. Previously, the commodities were only analyzed individually and deterministically for their launch support capability, but this study was the first to integrate them to examine the impact of their interactions on a launch campaign as well as the effects of process variability on commodity availability. The study produced a validated DES model with Rockwell Arena that showed that Kennedy Space Center's ground systems were capable of supporting a 48-hour scrub turnaround for the SLS. The model will be maintained and updated to provide commodity consumption analysis of future ground system and SLS configurations.
Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A Review.
Fujisaki, Hiroshi; Moritsugu, Kei; Matsunaga, Yasuhiro; Morishita, Tetsuya; Maragliano, Luca
2015-01-01
Molecular Dynamics simulations are a powerful approach to study biomolecular conformational changes or protein-ligand, protein-protein, and protein-DNA/RNA interactions. Straightforward applications, however, are often hampered by incomplete sampling, since in a typical simulated trajectory the system will spend most of its time trapped by high energy barriers in restricted regions of the configuration space. Over the years, several techniques have been designed to overcome this problem and enhance space sampling. Here, we review a class of methods that rely on the idea of extending the set of dynamical variables of the system by adding extra ones associated to functions describing the process under study. In particular, we illustrate the Temperature Accelerated Molecular Dynamics (TAMD), Logarithmic Mean Force Dynamics (LogMFD), and Multiscale Enhanced Sampling (MSES) algorithms. We also discuss combinations with techniques for searching reaction paths. We show the advantages presented by this approach and how it allows to quickly sample important regions of the free-energy landscape via automatic exploration.
NASA Technical Reports Server (NTRS)
1998-01-01
NASA engineers successfully tested a Russian-built rocket engine on November 4, 1998 at the Marshall Space Flight Center (MSFC) Advanced Engine Test Facility, which had been used for testing the Saturn V F-1 engines and Space Shuttle Main engines. The MSFC was under a Space Act Agreement with Lockheed Martin Astronautics of Denver to provide a series of test firings of the Atlas III propulsion system configured with the Russian-designed RD-180 engine. The tests were designed to measure the performance of the Atlas III propulsion system, which included avionics and propellant tanks and lines, and how these components interacted with the RD-180 engine. The RD-180 is powered by kerosene and liquid oxygen, the same fuel mix used in Saturn rockets. The RD-180, the most powerful rocket engine tested at the MSFC since Saturn rocket tests in the 1960s, generated 860,000 pounds of thrust. The test was the first test ever anywhere outside Russia of a Russian designed and built engine.
Space Launch System Base Heating Test: Experimental Operations & Results
NASA Technical Reports Server (NTRS)
Dufrene, Aaron; Mehta, Manish; MacLean, Matthew; Seaford, Mark; Holden, Michael
2016-01-01
NASA's Space Launch System (SLS) uses four clustered liquid rocket engines along with two solid rocket boosters. The interaction between all six rocket exhaust plumes will produce a complex and severe thermal environment in the base of the vehicle. This work focuses on a recent 2% scale, hot-fire SLS base heating test. These base heating tests are short-duration tests executed with chamber pressures near the full-scale values with gaseous hydrogen/oxygen engines and RSRMV analogous solid propellant motors. The LENS II shock tunnel/Ludwieg tube tunnel was used at or near flight duplicated conditions up to Mach 5. Model development was based on the Space Shuttle base heating tests with several improvements including doubling of the maximum chamber pressures and duplication of freestream conditions. Test methodology and conditions are presented, and base heating results from 76 runs are reported in non-dimensional form. Regions of high heating are identified and comparisons of various configuration and conditions are highlighted. Base pressure and radiometer results are also reported.
NASA Technical Reports Server (NTRS)
Markos, H.
1978-01-01
Status of the computer programs dealing with space shuttle orbiter avionics is reported. Specific topics covered include: delivery status; SSW software; SM software; DL software; GNC software; level 3/4 testing; level 5 testing; performance analysis, SDL readiness for entry first article configuration inspection; and verification assessment.
Optimal lifting ascent trajectories for the space shuttle
NASA Technical Reports Server (NTRS)
Rau, T. R.; Elliott, J. R.
1972-01-01
The performance gains which are possible through the use of optimal trajectories for a particular space shuttle configuration are discussed. The spacecraft configurations and aerodynamic characteristics are described. Shuttle mission payload capability is examined with respect to the optimal orbit inclination for unconstrained, constrained, and nonlifting conditions. The effects of velocity loss and heating rate on the optimal ascent trajectory are investigated.
Loop Quantization and Symmetry: Configuration Spaces
NASA Astrophysics Data System (ADS)
Fleischhack, Christian
2018-06-01
Given two sets S 1, S 2 and unital C *-algebras A_1, A_2 of functions thereon, we show that a map {σ : {S}_1 \\longrightarrow {S}_2} can be lifted to a continuous map \\barσ : spec A_1 \\longrightarrow spec A_2 iff σ^\\ast A_2 := σ^\\ast f | f \\in A_2 \\subseteq A_1. Moreover, \\bar σ is unique if existing, and injective iff σ^\\ast A_2 is dense. Then, we apply these results to loop quantum gravity and loop quantum cosmology. For all usual technical conventions, we decide whether the cosmological quantum configuration space is embedded into the gravitational one; indeed, both are spectra of some C *-algebras, say, A_cosm and A_grav, respectively. Typically, there is no embedding, but one can always get an embedding by the defining A_cosm := C^\\ast(σ^\\ast A_grav), where {σ} denotes the embedding between the classical configuration spaces. Finally, we explicitly determine {C^\\ast(σ^\\ast A_grav) in the homogeneous isotropic case for A_grav generated by the matrix functions of parallel transports along analytic paths. The cosmological quantum configuration space so equals the disjoint union of R and the Bohr compactification of R, appropriately glued together.
Loop Quantization and Symmetry: Configuration Spaces
NASA Astrophysics Data System (ADS)
Fleischhack, Christian
2018-04-01
Given two sets S 1, S 2 and unital C *-algebras A_1, A_2 of functions thereon, we show that a map σ : S_1 \\longrightarrow S_2 can be lifted to a continuous map \\barσ : spec A_1 \\longrightarrow spec A_2 iff σ^\\ast A_2 := σ^\\ast f | f \\in A_2 \\subseteq A_1. Moreover, \\bar σ is unique if existing, and injective iff {σ^\\ast A_2 is dense. Then, we apply these results to loop quantum gravity and loop quantum cosmology. For all usual technical conventions, we decide whether the cosmological quantum configuration space is embedded into the gravitational one; indeed, both are spectra of some C *-algebras, say, A_cosm and A_grav, respectively. Typically, there is no embedding, but one can always get an embedding by the defining A_cosm := C^\\ast(σ^\\ast A_grav), where σ denotes the embedding between the classical configuration spaces. Finally, we explicitly determine C^\\ast(σ^\\ast A_grav) in the homogeneous isotropic case for A_grav generated by the matrix functions of parallel transports along analytic paths. The cosmological quantum configuration space so equals the disjoint union of R and the Bohr compactification of R , appropriately glued together.
Dynamic and thermal response finite element models of multi-body space structural configurations
NASA Technical Reports Server (NTRS)
Edighoffer, Harold H.
1987-01-01
Presented is structural dynamics modeling of two multibody space structural configurations. The first configuration is a generic space station model of a cylindrical habitation module, two solar array panels, radiator panel, and central connecting tube. The second is a 15-m hoop-column antenna. Discussed is the special joint elimination sequence used for these large finite element models, so that eigenvalues could be extracted. The generic space station model aided test configuration design and analysis/test data correlation. The model consisted of six finite element models, one of each substructure and one of all substructures as a system. Static analysis and tests at the substructure level fine-tuned the finite element models. The 15-m hoop-column antenna is a truss column and structural ring interconnected with tension stabilizing cables. To the cables, pretensioned mesh membrane elements were attached to form four parabolic shaped antennae, one per quadrant. Imposing thermal preloads in the cables and mesh elements produced pretension in the finite element model. Thermal preload variation in the 96 control cables was adjusted to maintain antenna shape within the required tolerance and to give pointing accuracy.
Rapid exploration of configuration space with diffusion-map-directed molecular dynamics.
Zheng, Wenwei; Rohrdanz, Mary A; Clementi, Cecilia
2013-10-24
The gap between the time scale of interesting behavior in macromolecular systems and that which our computational resources can afford often limits molecular dynamics (MD) from understanding experimental results and predicting what is inaccessible in experiments. In this paper, we introduce a new sampling scheme, named diffusion-map-directed MD (DM-d-MD), to rapidly explore molecular configuration space. The method uses a diffusion map to guide MD on the fly. DM-d-MD can be combined with other methods to reconstruct the equilibrium free energy, and here, we used umbrella sampling as an example. We present results from two systems: alanine dipeptide and alanine-12. In both systems, we gain tremendous speedup with respect to standard MD both in exploring the configuration space and reconstructing the equilibrium distribution. In particular, we obtain 3 orders of magnitude of speedup over standard MD in the exploration of the configurational space of alanine-12 at 300 K with DM-d-MD. The method is reaction coordinate free and minimally dependent on a priori knowledge of the system. We expect wide applications of DM-d-MD to other macromolecular systems in which equilibrium sampling is not affordable by standard MD.
Rapid Exploration of Configuration Space with Diffusion Map-directed-Molecular Dynamics
Zheng, Wenwei; Rohrdanz, Mary A.; Clementi, Cecilia
2013-01-01
The gap between the timescale of interesting behavior in macromolecular systems and that which our computational resources can afford oftentimes limits Molecular Dynamics (MD) from understanding experimental results and predicting what is inaccessible in experiments. In this paper, we introduce a new sampling scheme, named Diffusion Map-directed-MD (DM-d-MD), to rapidly explore molecular configuration space. The method uses diffusion map to guide MD on the fly. DM-d-MD can be combined with other methods to reconstruct the equilibrium free energy, and here we used umbrella sampling as an example. We present results from two systems: alanine dipeptide and alanine-12. In both systems we gain tremendous speedup with respect to standard MD both in exploring the configuration space and reconstructing the equilibrium distribution. In particular, we obtain 3 orders of magnitude of speedup over standard MD in the exploration of the configurational space of alanine-12 at 300K with DM-d-MD. The method is reaction coordinate free and minimally dependent on a priori knowledge of the system. We expect wide applications of DM-d-MD to other macromolecular systems in which equilibrium sampling is not affordable by standard MD. PMID:23865517
HL-20 structural design comparison - Conformal shell versus cylindrical crew compartment
NASA Technical Reports Server (NTRS)
Bush, Lance B.; Wahls, Deborah M.; Robinson, James C.
1993-01-01
Extensive studies have been performed at NASA Langley Research Center (LaRC) on personnel launch systems (PLS) concepts. The primary mission of a PLS is the transport of Space Station crew members from Earth to the Space Station and return. The NASA LaRC PLS studies have led to the design of a lifting body configuration named the HL-20. In this study, two different HL-20 structural configurations are evaluated. The two configurations are deemed the conformal shell and the cylindrical crew compartment. The configurations are based on two different concerns for maintenance and operations. One configuration allows for access to subsystems while on-orbit from the interior, while the other allows for easy access to the subsystems during ground maintenance and operations. For each concept, the total structural weight required to sustain the applied loads is quantified through a structural evaluation. Structural weight for both configurations is compared along with the particular attributes of each. Analyses of both configurations indicate no appreciable weight or load relief advantage of one concept over the other. Maintainability and operability, therefore become the primary discriminator, leading to a choice of a crew compartment configuration.
A Methodology for Investigating Adaptive Postural Control
NASA Technical Reports Server (NTRS)
McDonald, P. V.; Riccio, G. E.
1999-01-01
Our research on postural control and human-environment interactions provides an appropriate scientific foundation for understanding the skill of mass handling by astronauts in weightless conditions (e.g., extravehicular activity or EVA). We conducted an investigation of such skills in NASA's principal mass-handling simulator, the Precision Air-Bearing Floor, at the Johnson Space Center. We have studied skilled movement-body within a multidisciplinary context that draws on concepts and methods from biological and behavioral sciences (e.g., psychology, kinesiology and neurophysiology) as well as bioengineering. Our multidisciplinary research has led to the development of measures, for manual interactions between individuals and the substantial environment, that plausibly are observable by human sensory systems. We consider these methods to be the most important general contribution of our EVA investigation. We describe our perspective as control theoretic because it draws more on fundamental concepts about control systems in engineering than it does on working constructs from the subdisciplines of biomechanics and motor control in the bio-behavioral sciences. At the same time, we have attempted to identify the theoretical underpinnings of control-systems engineering that are most relevant to control by human beings. We believe that these underpinnings are implicit in the assumptions that cut across diverse methods in control-systems engineering, especially the various methods associated with "nonlinear control", "fuzzy control," and "adaptive control" in engineering. Our methods are based on these theoretical foundations rather than on the mathematical formalisms that are associated with particular methods in control-systems engineering. The most important aspects of the human-environment interaction in our investigation of mass handling are the functional consequences that body configuration and stability have for the pick up of information or the achievement of overt goals. It follows that an essential characteristic of postural behavior is the effective maintenance of the orientation and stability of the sensory and motor "platforms" (e.g., head or shoulders) over variations in the human, the environment and the task. This general skill suggests that individuals should be sensitive to the functional consequences of body configuration and stability. In other words, individuals should perceive the relation between configuration, stability, and performance so that they can adaptively control their interaction with the surroundings. Human-environment interactions constitute robust systems in that individuals can maintain the stability of such interactions over uncertainty about and variations in the dynamics of the interaction. Robust interactions allow individuals to adopt orientations and configurations that are not optimal with respect to purely energetic criteria. Individuals can tolerate variation in postural states, and such variation can serve an important function in adaptive systems. Postural variability generates stimulation which is "textured" by the dynamics of the human-environment system. The texture or structure in stimulation provides information about variation in dynamics, and such information can be sufficient to guide adaption in control strategies. Our method were designed to measure informative patterns of movement variability.
The study of a space configuration using space syntax analysis Case study: an elderly housing
NASA Astrophysics Data System (ADS)
Mariana, Yosica; Triwardhani, Arindra J.; Isnaeni Djimantoro, Michael
2017-12-01
The improvement in various aspect leads to prolong the life span of human life, which increasing the number of elderly in the urban areas in return. But the increasing population is not supported by the provision of adequate housing facilities for them. Most of the elderly house in Jakarta, is designed just like for common people without relizing thatthey had physical and mentally degradation following the age. Therefore, the elderly house need to design with special attention to their daily activity mobility which applied in effective room configuration. The connectivity between the activities is most important element to order the room configuration. This research conduct to search the room configuration in elderly house which can improve their productivity and live quality by using the space syntax theory. The research methods by using the syntactic plug-in in Grasshooper software and analyse the integration, choice, control value and entrophy in the activity configuration. The result show that the effective and efficient for elderly house is cluster centralized pattern. The lobby and reception take the important role as the integration aspect and the spatial awareness according to elderly activity.
Correlation of ISS Electric Potential Variations with Mission Operations
NASA Technical Reports Server (NTRS)
Willis, Emily M.; Minow, Joseph I.; Parker, Linda Neergaard
2014-01-01
Spacecraft charging on the International Space Station (ISS) is caused by a complex combination of the low Earth orbit plasma environment, space weather events, operations of the high voltage solar arrays, and changes in the ISS configuration and orbit parameters. Measurements of the ionospheric electron density and temperature along the ISS orbit and variations in the ISS electric potential are obtained from the Floating Potential Measurement Unit (FPMU) suite of four plasma instruments (two Langmuir probes, a Floating Potential Probe, and a Plasma Impedance Probe) on the ISS. These instruments provide a unique capability for monitoring the response of the ISS electric potential to variations in the space environment, changes in vehicle configuration, and operational solar array power manipulation. In particular, rapid variations in ISS potential during solar array operations on time scales of tens of milliseconds can be monitored due to the 128 Hz sample rate of the Floating Potential Probe providing an interesting insight into high voltage solar array interaction with the space plasma environment. Comparing the FPMU data with the ISS operations timeline and solar array data provides a means for correlating some of the more complex and interesting ISS electric potential variations with mission operations. In addition, recent extensions and improvements to the ISS data downlink capabilities have allowed more operating time for the FPMU than ever before. The FPMU was operated for over 200 days in 2013 resulting in the largest data set ever recorded in a single year for the ISS. In this paper we provide examples of a number of the more interesting ISS charging events observed during the 2013 operations including examples of rapid charging events due to solar array power operations, auroral charging events, and other charging behavior related to ISS mission operations.
Correlation of ISS Electric Potential Variations with Mission Operations
NASA Technical Reports Server (NTRS)
Willis, Emily M.; Minow, Joseph I.; Parker, Linda Neergaard
2014-01-01
Spacecraft charging on the International Space Station (ISS) is caused by a complex mix of the low Earth orbit plasma environment, space weather events, operations of the high voltage solar arrays, and changes in the ISS configuration and orbit parameters. Measurements of the ionospheric electron density and temperature along the ISS orbit and variations in the ISS electric potential are obtained from the Floating Potential Measurement Unit (FPMU) suite of four plasma instruments (two Langmuir probes, a Floating Potential Probe, and a Plasma Impedance Probe) on the ISS. These instruments provide a unique capability for monitoring the response of the ISS electric potential to variations in the space environment, changes in vehicle configuration, and operational solar array power manipulation. In particular, rapid variations in ISS potential during solar array operations on time scales of tens of milliseconds can be monitored due to the 128 Hz sample rate of the Floating Potential Probe providing an interesting insight into high voltage solar array interaction with the space plasma environment. Comparing the FPMU data with the ISS operations timeline and solar array data provides a means for correlating some of the more complex and interesting ISS electric potential variations with mission operations. In addition, recent extensions and improvements to the ISS data downlink capabilities have allowed more operating time for the FPMU than ever before. The FPMU was operated for over 200 days in 2013 resulting in the largest data set ever recorded in a single year for the ISS. This presentation will provide examples of a number of the more interesting ISS charging events observed during the 2013 operations including examples of rapid charging events due to solar array power operations, auroral charging events, and other charging behavior related to ISS mission operations.
NASA Technical Reports Server (NTRS)
1972-01-01
An evaluation of the compatibility of the space shuttle and Agena rocket vehicle was conducted. The Agena space tug configuration design is described in terms of the total vehicle system as well as the individual subsystems and major assemblies and components. The complete interface between the Agena space tug and the space shuttle orbiter is defined for in-flight and ground operations. The derivation and design of an evolutionary stage is also presented. This vehicle conforms to the same guidelines and interface requirements as the Agena space tug. Performance data developed for both vehicles for each of the three study baseline missions are included.
Experimental/Analytical Characterization of the RBCC Rocket-Ejector Mode
NASA Technical Reports Server (NTRS)
Ruf, J. H.; Lehman, M.; Pal, S.; Santoro, R. J.
2000-01-01
The experimental/analytical research work described here addresses the rocket-ejector mode (Mach 0-2 operational range) of the RBCC engine. The experimental phase of the program includes studying the mixing and combustion characteristics of the rocket-ejector system utilizing state-of-the-art diagnostic techniques. A two-dimensional variable geometry rocket-ejector system with enhanced optical access was utilized as the experimental platform. The goals of the experimental phase of the research being conducted at Penn State are to: (a) systematically increase the range of rocket-ejector understanding over a wide range of flow/geometry parameters and (b) provide a comprehensive data base for evaluating and anchoring CFD codes. Concurrent with the experimental activities, a CFD code benchmarking effort at Marshall Space Flight Center is also being used to further investigate the RBCC rocket-ejector mode. Experiments involving the single rocket based optically-accessible rocket-ejector system have been conducted for Diffusion and Afterburning (DAB) as well as Simultaneous Mixing and Combustion configurations. For the DAB configuration, air is introduced (direct-connect) or ejected (sea-level static) into a constant area mixer section with a centrally located gaseous oxygen (GO2)/gaseous hydrogen (GH2) rocket combustor. The downstream flowpath for this configuration includes a diffuser, an afterburner and a final converging nozzle. For the SMC configuration, the rocket is centrally located in a slightly divergent duct. For all tested configurations, global measurements of the axial pressure and heat transfer profiles as well as the overall engine thrust were made. Detailed measurements include major species concentration (H2 O2 N2 and H2O) profiles at various mixer locations made using Raman spectroscopy. Complementary CFD calculations of the flowfield at the experimental conditions also provide additional information on the physics of the problem. These calculations are being conducted at Marshall Space Flight Center to benchmark the FDNS code for RBCC engine operations for such configurations. The primary fluid physics of interests are the mixing and interaction of the rocket plume and secondary flow, subsequent combustion of the fuel rich rocket exhaust with the secondary flow and combustion of the injected afterburner flow. The CFD results are compared to static pressure along the RBCC duct walls, Raman Spectroscopy specie distribution data at several axial locations, net engine thrust and entrained air for the SLS cases. The CFD results compare reasonably well with the experimental results.
NASA Technical Reports Server (NTRS)
Ellis, R. R.; Buchholz, R. E.; Moore, J. A.
1972-01-01
Two 0.00325-scale models of a space shuttle orbiter were tested in trisonic wind tunnel to obtain force, static stability, and control effectiveness data by six component internal strain gauge balance. Two separate configurations were tested; however, the fuselage and basic wing were of one-piece construction. The configurations were varied by replacing the straight wing tip extensions with upswept wing tips. Directional stability was provided for one configuration by a centerline vertical tail. Due to the one-piece body/wing construction, no body-alone data were obtained. The effect of tip fins and vertical tail size were, however, investigated. Both configurations were tested over a Mach range of 0.6 to 4.96 with data taken at angles of attack from minus 4 deg to 60 deg and at angles of sideslip from minus 4 deg to 10 deg.
NASA Technical Reports Server (NTRS)
Knight, Norman F., Jr.; Song, Kyongchan; Elliott, Kenny B.; Raju, Ivatury S.; Warren, Jerry E.
2012-01-01
Elastic-plastic, large-deflection nonlinear stress analyses are performed for the external hat-shaped stringers (or stiffeners) on the intertank portion of the Space Shuttle s external tank. These stringers are subjected to assembly strains when the stringers are initially installed on an intertank panel. Four different stringer-feet configurations including the baseline flat-feet, the heels-up, the diving-board, and the toes-up configurations are considered. The assembly procedure is analytically simulated for each of these stringer configurations. The location, size, and amplitude of the strain field associated with the stringer assembly are sensitive to the assumed geometry and assembly procedure. The von Mises stress distributions from these simulations indicate that localized plasticity will develop around the first eight fasteners for each stringer-feet configuration examined. However, only the toes-up configuration resulted in high assembly hoop strains.
NASA's Space Launch System: An Evolving Capability for Exploration
NASA Technical Reports Server (NTRS)
Creech, Stephen D.; Robinson, Kimberly F.
2016-01-01
A foundational capability for international human deep-space exploration, NASA's Space Launch System (SLS) vehicle represents a new spaceflight infrastructure asset, creating opportunities for mission profiles and space systems that cannot currently be executed. While the primary purpose of SLS, which is making rapid progress towards initial launch readiness in two years, will be to support NASA's Journey to Mars, discussions are already well underway regarding other potential utilization of the vehicle's unique capabilities. In its initial Block 1 configuration, capable of launching 70 metric tons (t) to low Earth orbit (LEO), SLS will propel the Orion crew vehicle to cislunar space, while also delivering small CubeSat-class spacecraft to deep-space destinations. With the addition of a more powerful upper stage, the Block 1B configuration of SLS will be able to deliver 105 t to LEO and enable more ambitious human missions into the proving ground of space. This configuration offers opportunities for launching co-manifested payloads with the Orion crew vehicle, and a class of secondary payloads, larger than today's CubeSats. Further upgrades to the vehicle, including advanced boosters, will evolve its performance to 130 t in its Block 2 configuration. Both Block 1B and Block 2 also offer the capability to carry 8.4- or 10-m payload fairings, larger than any contemporary launch vehicle. With unmatched mass-lift capability, payload volume, and C3, SLS not only enables spacecraft or mission designs currently impossible with contemporary EELVs, it also offers enhancing benefits, such as reduced risk, operational costs and/or complexity, shorter transit time to destination or launching large systems either monolithically or in fewer components. This paper will discuss both the performance and capabilities of Space Launch System as it evolves, and the current state of SLS utilization planning.
NASA Astrophysics Data System (ADS)
Zhang, Wei; Gan, Jie; Li, Qian; Gao, Kun; Sun, Jian; Xu, Ning; Ying, Zhifeng; Wu, Jiada
2011-06-01
The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.
No-core configuration-interaction model for the isospin- and angular-momentum-projected states
NASA Astrophysics Data System (ADS)
Satuła, W.; Båczyk, P.; Dobaczewski, J.; Konieczka, M.
2016-08-01
Background: Single-reference density functional theory is very successful in reproducing bulk nuclear properties like binding energies, radii, or quadrupole moments throughout the entire periodic table. Its extension to the multireference level allows for restoring symmetries and, in turn, for calculating transition rates. Purpose: We propose a new variant of the no-core-configuration-interaction (NCCI) model treating properly isospin and rotational symmetries. The model is applicable to any nucleus irrespective of its mass and neutron- and proton-number parity. It properly includes polarization effects caused by an interplay between the long- and short-range forces acting in the atomic nucleus. Methods: The method is based on solving the Hill-Wheeler-Griffin equation within a model space built of linearly dependent states having good angular momentum and properly treated isobaric spin. The states are generated by means of the isospin and angular-momentum projection applied to a set of low-lying (multi)particle-(multi)hole deformed Slater determinants calculated using the self-consistent Skyrme-Hartree-Fock approach. Results: The theory is applied to calculate energy spectra in N ≈Z nuclei that are relevant from the point of view of a study of superallowed Fermi β decays. In particular, a new set of the isospin-symmetry-breaking corrections to these decays is given. Conclusions: It is demonstrated that the NCCI model is capable of capturing main features of low-lying energy spectra in light and medium-mass nuclei using relatively small model space and without any local readjustment of its low-energy coupling constants. Its flexibility and a range of applicability makes it an interesting alternative to the conventional nuclear shell model.
Open control/display system for a telerobotics work station
NASA Technical Reports Server (NTRS)
Keslowitz, Saul
1987-01-01
A working Advanced Space Cockpit was developed that integrated advanced control and display devices into a state-of-the-art multimicroprocessor hardware configuration, using window graphics and running under an object-oriented, multitasking real-time operating system environment. This Open Control/Display System supports the idea that the operator should be able to interactively monitor, select, control, and display information about many payloads aboard the Space Station using sets of I/O devices with a single, software-reconfigurable workstation. This is done while maintaining system consistency, yet the system is completely open to accept new additions and advances in hardware and software. The Advanced Space Cockpit, linked to Grumman's Hybrid Computing Facility and Large Amplitude Space Simulator (LASS), was used to test the Open Control/Display System via full-scale simulation of the following tasks: telerobotic truss assembly, RCS and thermal bus servicing, CMG changeout, RMS constrained motion and space constructible radiator assembly, HPA coordinated control, and OMV docking and tumbling satellite retrieval. The proposed man-machine interface standard discussed has evolved through many iterations of the tasks, and is based on feedback from NASA and Air Force personnel who performed those tasks in the LASS.
NASA's Space Launch System: Enabling Exploration and Discovery
NASA Technical Reports Server (NTRS)
Schorr, Andrew; Robinson, Kimberly F.; Hitt, David
2017-01-01
As NASA's new Space Launch System (SLS) launch vehicle continues to mature toward its first flight and beyond, so too do the agency's plans for utilization of the rocket. Substantial progress has been made toward the production of the vehicle for the first flight of SLS - an initial "Block 1" configuration capable of delivering more than 70 metric tons (t) to Low Earth Orbit (LEO). That vehicle will be used for an uncrewed integrated test flight, propelling NASA's Orion spacecraft into lunar orbit before it returns safely to Earth. Flight hardware for that launch is being manufactured at facilities around the United States, and, in the case of Orion's service module, beyond. At the same time, production has already begun on the vehicle for the second SLS flight, a more powerful Block 1B configuration capable of delivering more than 105 t to LEO. This configuration will be used for crewed launches of Orion, sending astronauts farther into space than anyone has previously ventured. The 1B configuration will introduce an Exploration Upper Stage, capable of both ascent and in-space propulsion, as well as a Universal Stage Adapter - a payload bay allowing the flight of exploration hardware with Orion - and unprecedentedly large payload fairings that will enable currently impossible spacecraft and mission profiles on uncrewed launches. The Block 1B vehicle will also expand on the initial configuration's ability to deploy CubeSat secondary payloads, creating new opportunities for low-cost access to deep space. Development work is also underway on future upgrades to SLS, which will culminate in about a decade in the Block 2 configuration, capable of delivering 130 t to LEO via the addition of advanced boosters. As the first SLS draws closer to launch, NASA continues to refine plans for the human deep-space exploration it will enable. Planning currently focuses on use of the vehicle to assemble a Deep Space Gateway, which would comprise a habitat in the lunar vicinity allowing astronauts to gain experience living and working in deep space, a testbed for new systems and capabilities needed for exploration beyond, and a departure point for NASA and partners to send missions to other destinations. Assembly of the Gateway would be followed by a Deep Space Transport, which would be a vehicle capable of carrying astronauts farther into our solar system and eventually to Mars. This paper will give an overview of SLS' current status and its capabilities, and discuss current utilization planning.
NASA's Space Launch System: Enabling Exploration and Discovery
NASA Technical Reports Server (NTRS)
Robinson, Kimberly F.; Schorr, Andrew
2017-01-01
As NASA's new Space Launch System (SLS) launch vehicle continues to mature toward its first flight and beyond, so too do the agency's plans for utilization of the rocket. Substantial progress has been made toward the production of the vehicle for the first flight of SLS - an initial "Block 1" configuration capable of delivering more than 70 metric tons (t) to Low Earth Orbit (LEO). That vehicle will be used for an uncrewed integrated test flight, propelling NASA's Orion spacecraft into lunar orbit before it returns safely to Earth. Flight hardware for that launch is being manufactured at facilities around the United States, and, in the case of Orion's service module, beyond. At the same time, production has already begun on the vehicle for the second SLS flight, a more powerful Block 1B configuration capable of delivering more than 105 metric tons to LEO. This configuration will be used for crewed launches of Orion, sending astronauts farther into space than anyone has previously ventured. The 1B configuration will introduce an Exploration Upper Stage, capable of both ascent and in-space propulsion, as well as a Universal Stage Adapter - a payload bay allowing the flight of exploration hardware with Orion - and unprecedentedly large payload fairings that will enable currently impossible spacecraft and mission profiles on uncrewed launches. The Block 1B vehicle will also expand on the initial configuration's ability to deploy CubeSat secondary payloads, creating new opportunities for low-cost access to deep space. Development work is also underway on future upgrades to SLS, which will culminate in about a decade in the Block 2 configuration, capable of delivering 130 metric tons to LEO via the addition of advanced boosters. As the first SLS draws closer to launch, NASA continues to refine plans for the human deep-space exploration it will enable. Planning currently focuses on use of the vehicle to assemble a Deep Space Gateway, which would comprise a habitat in the lunar vicinity allowing astronauts to gain experience living and working in deep space, a testbed for new systems and capabilities needed for exploration beyond, and a departure point for NASA and partners to send missions to other destinations. Assembly of the Gateway would be followed by a Deep Space Transport, which would be a vehicle capable of carrying astronauts farther into our solar system and eventually to Mars. This paper will give an overview of SLS' current status and its capabilities, and discuss current utilization planning.
NASA Astrophysics Data System (ADS)
Ben Amor, Nadia; Hoyau, Sophie; Maynau, Daniel; Brenner, Valérie
2018-05-01
A benchmark set of relevant geometries of a model protein, the N-acetylphenylalanylamide, is presented to assess the validity of the approximate second-order coupled cluster (CC2) method in studying low-lying excited states of such bio-relevant systems. The studies comprise investigations of basis-set dependence as well as comparison with two multireference methods, the multistate complete active space 2nd order perturbation theory (MS-CASPT2) and the multireference difference dedicated configuration interaction (DDCI) methods. First of all, the applicability and the accuracy of the quasi-linear multireference difference dedicated configuration interaction method have been demonstrated on bio-relevant systems by comparison with the results obtained by the standard MS-CASPT2. Second, both the nature and excitation energy of the first low-lying excited state obtained at the CC2 level are very close to the Davidson corrected CAS+DDCI ones, the mean absolute deviation on the excitation energy being equal to 0.1 eV with a maximum of less than 0.2 eV. Finally, for the following low-lying excited states, if the nature is always well reproduced at the CC2 level, the differences on excitation energies become more important and can depend on the geometry.
Ben Amor, Nadia; Hoyau, Sophie; Maynau, Daniel; Brenner, Valérie
2018-05-14
A benchmark set of relevant geometries of a model protein, the N-acetylphenylalanylamide, is presented to assess the validity of the approximate second-order coupled cluster (CC2) method in studying low-lying excited states of such bio-relevant systems. The studies comprise investigations of basis-set dependence as well as comparison with two multireference methods, the multistate complete active space 2nd order perturbation theory (MS-CASPT2) and the multireference difference dedicated configuration interaction (DDCI) methods. First of all, the applicability and the accuracy of the quasi-linear multireference difference dedicated configuration interaction method have been demonstrated on bio-relevant systems by comparison with the results obtained by the standard MS-CASPT2. Second, both the nature and excitation energy of the first low-lying excited state obtained at the CC2 level are very close to the Davidson corrected CAS+DDCI ones, the mean absolute deviation on the excitation energy being equal to 0.1 eV with a maximum of less than 0.2 eV. Finally, for the following low-lying excited states, if the nature is always well reproduced at the CC2 level, the differences on excitation energies become more important and can depend on the geometry.
Micromagnetics of antiskyrmions in ultrathin films
NASA Astrophysics Data System (ADS)
Camosi, Lorenzo; Rougemaille, Nicolas; Fruchart, Olivier; Vogel, Jan; Rohart, Stanislas
2018-04-01
We present a combined analytical and numerical micromagnetic study of the equilibrium energy, size, and shape of antiskyrmionic magnetic configurations. Antiskyrmions can be stabilized when the Dzyaloshinskii-Moriya interaction has opposite signs along two orthogonal in-plane directions, breaking the magnetic circular symmetry. We compare the equilibrium energy, size, and shape of antiskyrmions and skyrmions that are stabilized in environments with anisotropic and isotropic Dzyaloshinskii-Moriya interactions, respectively, but with the same strength of the magnetic interactions. When the dipolar interactions are neglected, the skyrmion and the antiskyrmion have the same energy, shape, and size in their respective environments. However, when dipolar interactions are considered, the energy of the antiskyrmion is strongly reduced, and its equilibrium size increases with respect to that of the skyrmion. While the skyrmion configuration shows homochiral Néel magnetization rotations, antiskyrmions show partly Néel and partly Bloch rotations. The latter do not produce magnetic charges and thus cost less dipolar energy. Both magnetic configurations are stable when the magnetic energies almost cancel each other, which means that a small variation of one parameter can drastically change their configurations, sizes, and energies.
The stress intensity factors for a periodic array of interacting coplanar penny-shaped cracks
Lekesiz, Huseyin; Katsube, Noriko; Rokhlin, Stanislav I.; Seghi, Robert R.
2013-01-01
The effect of crack interactions on stress intensity factors is examined for a periodic array of coplanar penny-shaped cracks. Kachanov’s approximate method for crack interactions (Int. J. Solid. Struct. 1987; 23(1):23–43) is employed to analyze both hexagonal and square crack configurations. In approximating crack interactions, the solution converges when the total truncation number of the cracks is 109. As expected, due to high density packing crack interaction in the hexagonal configuration is stronger than that in the square configuration. Based on the numerical results, convenient fitting equations for quick evaluation of the mode I stress intensity factors are obtained as a function of crack density and angle around the crack edge for both crack configurations. Numerical results for the mode II and III stress intensity factors are presented in the form of contour lines for the case of Poisson’s ratio ν =0.3. Possible errors for these problems due to Kachanov’s approximate method are estimated. Good agreement is observed with the limited number of results available in the literature and obtained by different methods. PMID:27175035
Masoudiasl, A; Montazerozohori, M; Naghiha, R; Assoud, A; McArdle, P; Safi Shalamzari, M
2016-04-01
Some new five coordinated ZnLX2 complexes, where L is N3-Schiff base ligand obtained by condensation reaction between diethylenetriamine and (E)-3-(2-nitrophenyl)acrylaldehyde and X (Cl(-), Br(-), I(-), N3(-) and NCS(-)), were synthesized and characterized by FT-IR, (1)H and (13)CNMR, UV-visible, ESI-mass spectra and molar conductivity measurements. The structures of zinc iodide and thiocyanate complexes were determined by X-ray crystallographic analysis. The X-ray results showed that the Zn (II) center in these complexes is five-coordinated in a distorted trigonal-bipyramidal configuration. Zinc iodide and thiocyanate complexes crystallize in the monoclinic and triclinic systems with space groups of C2/c and P1- with eight and two molecules per unit cell respectively. The crystal packing of the complexes consists of intermolecular interactions such as C-H(…)O and C-H(…)I, C-H(···)S, N(…)O, together with π-π stacking and some other unexpected interactions. The mentioned interactions cause three-dimensional supramolecular structure in the solid state. Zinc complexes were also prepared in nano-structure by sonochemical method confirmed by XRD, SEM and TEM analyses. Moreover, ZnO nanoparticles were synthesized by direct thermolysis of zinc iodide complex. Furthermore, antimicrobial and thermal properties of the compounds were completely investigated. Copyright © 2016 Elsevier B.V. All rights reserved.
Air Force Space Command. Space and Missile Systems Center Standard. Configuration Management
2008-06-13
Aerospace Corporation report number TOR-2006( 8583 )-1. 3. Beneficial comments (recommendations, additions, deletions) and any pertinent data that...Engineering Drawing Practices IEEE STD 610.12 Glossary of Software Engineering Terminology, September 28,1990 ISO /IEC 12207 Software Life...item, regardless of media, formally designated and fixed at a specific time during the configuration item’s life cycle. (Source: ISO /IEC 12207
High Fidelity Modeling of Field Reversed Configuration (FRC) Thrusters
2016-06-01
space propulsion . This effort consists of numerical model development, physical model development, and systematic studies of the non-linear plasma...studies of the physical characteristics of Field Reversed Configuration (FRC) plasma for advanced space propulsion . This effort consists of numerical...FRCs for propulsion application. Two of the most advanced designs are based on the theta-pinch formation and the RMF formation mechanism, which
Annealing cycles and the self-organization of functionalized colloids
NASA Astrophysics Data System (ADS)
Dias, Cristóvão S.; Araújo, Nuno A. M.; Telo da Gama, Margarida M.
2018-01-01
The self-assembly of functionalized (patchy) particles with directional interactions into target structures is still a challenge, despite the significant experimental advances in their synthesis. Self-assembly pathways are typically characterized by high energy barriers that hinder access to stable (equilibrium) structures. A possible strategy to tackle this challenge is to perform annealing cycles. By periodically switching on and off the inter-particle bonds, one expects to smooth-out the kinetic pathways and favor the assembly of targeted structures. Preliminary results have shown that the efficiency of annealing cycles depends strongly on their frequency. Here, we study numerically how this frequency-dependence scales with the strength of the directional interactions (size of the patch σ). We use analytical arguments to show that the scaling results from the statistics of a random walk in configurational space.
Symmetry breaking gives rise to energy spectra of three states of matter
Bolmatov, Dima; Musaev, Edvard T.; Trachenko, K.
2013-01-01
A fundamental task of statistical physics is to start with a microscopic Hamiltonian, predict the system's statistical properties and compare them with observable data. A notable current fundamental challenge is to tell whether and how an interacting Hamiltonian predicts different energy spectra, including solid, liquid and gas phases. Here, we propose a new idea that enables a unified description of all three states of matter. We introduce a generic form of an interacting phonon Hamiltonian with ground state configurations minimising the potential. Symmetry breaking SO(3) to SO(2), from the group of rotations in reciprocal space to its subgroup, leads to emergence of energy gaps of shear excitations as a consequence of the Goldstone theorem, and readily results in the emergence of energy spectra of solid, liquid and gas phases. PMID:24077388
Hadron-Hadron Interactions from Nf=2 +1 +1 lattice QCD: Isospin-1 K K scattering length
NASA Astrophysics Data System (ADS)
Helmes, C.; Jost, C.; Knippschild, B.; Kostrzewa, B.; Liu, L.; Urbach, C.; Werner, M.; ETM Collaboration
2017-08-01
We present results for the interaction of two kaons at maximal isospin. The calculation is based on Nf=2 +1 +1 flavor gauge configurations generated by the European Twisted Mass Collaboration with pion masses ranging from about 230 MeV to 450 MeV at three values of the lattice spacing. The elastic scattering length a0I =1 is calculated at several values of the bare strange and light quark masses. We find MKa0=-0.385 (16 )stat(+0/-12)ms(+0/-5)ZP(4 )rf as the result of a combined extrapolation to the continuum and to the physical point, where the first error is statistical, and the three following are systematical. This translates to a0=-0.154 (6 )stat(-5+0)ms(-2+0)ZP(2 )rf fm .
NASA Astrophysics Data System (ADS)
Imhof, Barbara
2007-02-01
This paper discusses the findings for [Interior] configuration options, habitability and architectural aspects of a first human spacecraft to Mars. In 2003 the space architecture office LIQUIFER was invited by the European Space Agency's (ESA) AURORA Program committee to consult the scientists and engineers from the European Space and Technology Center (ESTEC) and other European industrial communities with developing the first human mission to Mars, which will take place in 2030, regarding the architectural issues of crewed habitats. The task was to develop an interior configuration for a transfer vehicle (TV) to Mars, especially a transfer habitation module (THM) and a surface habitat module (SHM) on Mars. The total travel time Earth—Mars and back for a crew of six amounts to approximately 900 days. After a 200-day-flight three crewmembers will land on Mars in the Mars excursion vehicle (MEV) and will live and work in the SHM for 30 days. For 500 days before the 200-day journey back the spacecraft continues to circle the Martian orbit for further exploration. The entire mission program is based on our present knowledge of technology. The project was compiled during a constant feedback-design process and trans-disciplinary collaboration sessions in the ESA-ESTEC concurrent design facility. Long-term human space flight sets new spatial conditions and requirements to the design concept. The guidelines were developed from relevant numbers and facts of recognized standards, interviews with astronauts/cosmonauts and from analyses about habitability, sociology, psychology and configuration concepts of earlier space stations in combination with the topics of the individual's perception and relation of space. Result of this study is the development of a prototype concept for the THM and SHM with detailed information and complete plans of the interior configuration, including mass calculations. In addition the study contains a detailed explanation of the development of the Design process including all suggested design and configuration options.
Janson, Lucas; Schmerling, Edward; Clark, Ashley; Pavone, Marco
2015-01-01
In this paper we present a novel probabilistic sampling-based motion planning algorithm called the Fast Marching Tree algorithm (FMT*). The algorithm is specifically aimed at solving complex motion planning problems in high-dimensional configuration spaces. This algorithm is proven to be asymptotically optimal and is shown to converge to an optimal solution faster than its state-of-the-art counterparts, chiefly PRM* and RRT*. The FMT* algorithm performs a “lazy” dynamic programming recursion on a predetermined number of probabilistically-drawn samples to grow a tree of paths, which moves steadily outward in cost-to-arrive space. As such, this algorithm combines features of both single-query algorithms (chiefly RRT) and multiple-query algorithms (chiefly PRM), and is reminiscent of the Fast Marching Method for the solution of Eikonal equations. As a departure from previous analysis approaches that are based on the notion of almost sure convergence, the FMT* algorithm is analyzed under the notion of convergence in probability: the extra mathematical flexibility of this approach allows for convergence rate bounds—the first in the field of optimal sampling-based motion planning. Specifically, for a certain selection of tuning parameters and configuration spaces, we obtain a convergence rate bound of order O(n−1/d+ρ), where n is the number of sampled points, d is the dimension of the configuration space, and ρ is an arbitrarily small constant. We go on to demonstrate asymptotic optimality for a number of variations on FMT*, namely when the configuration space is sampled non-uniformly, when the cost is not arc length, and when connections are made based on the number of nearest neighbors instead of a fixed connection radius. Numerical experiments over a range of dimensions and obstacle configurations confirm our the-oretical and heuristic arguments by showing that FMT*, for a given execution time, returns substantially better solutions than either PRM* or RRT*, especially in high-dimensional configuration spaces and in scenarios where collision-checking is expensive. PMID:27003958
Space station functional relationships analysis
NASA Technical Reports Server (NTRS)
Tullis, Thomas S.; Bied, Barbra R.
1988-01-01
A systems engineering process is developed to assist Space Station designers to understand the underlying operational system of the facility so that it can be physically arranged and configured to support crew productivity. The study analyzes the operational system proposed for the Space Station in terms of mission functions, crew activities, and functional relationships in order to develop a quantitative model for evaluation of interior layouts, configuration, and traffic analysis for any Station configuration. Development of the model involved identification of crew functions, required support equipment, criteria of assessing functional relationships, and tools for analyzing functional relationship matrices, as well as analyses of crew transition frequency, sequential dependencies, support equipment requirements, potential for noise interference, need for privacy, and overall compatability of functions. The model can be used for analyzing crew functions for the Initial Operating Capability of the Station and for detecting relationships among these functions. Note: This process (FRA) was used during Phase B design studies to test optional layouts of the Space Station habitat module. The process is now being automated as a computer model for use in layout testing of the Space Station laboratory modules during Phase C.
Invariant Connections in Loop Quantum Gravity
NASA Astrophysics Data System (ADS)
Hanusch, Maximilian
2016-04-01
Given a group {G}, and an abelian {C^*}-algebra {A}, the antihomomorphisms {Θ\\colon G→ {Aut}(A)} are in one-to-one with those left actions {Φ\\colon G× {Spec}(A)→ {Spec}(A)} whose translation maps {Φ_g} are continuous; whereby continuities of {Θ} and {Φ} turn out to be equivalent if {A} is unital. In particular, a left action {φ\\colon G × X→ X} can be uniquely extended to the spectrum of a {C^*}-subalgebra {A} of the bounded functions on {X} if {φ_g^*(A)subseteq A} holds for each {gin G}. In the present paper, we apply this to the framework of loop quantum gravity. We show that, on the level of the configuration spaces, quantization and reduction in general do not commute, i.e., that the symmetry-reduced quantum configuration space is (strictly) larger than the quantized configuration space of the reduced classical theory. Here, the quantum-reduced space has the advantage to be completely characterized by a simple algebraic relation, whereby the quantized reduced classical space is usually hard to compute.
Electrophysiological channel interactions using focused multipolar stimulation for cochlear implants
NASA Astrophysics Data System (ADS)
George, Shefin S.; Shivdasani, Mohit N.; Wise, Andrew K.; Shepherd, Robert K.; Fallon, James B.
2015-12-01
Objective. Speech intelligibility with existing multichannel cochlear implants (CIs) is thought to be limited by poor spatial selectivity and interactions between CI channels caused by overlapping activation with monopolar (MP) stimulation. Our previous studies have shown that focused multipolar (FMP) and tripolar (TP) stimulation produce more restricted neural activation in the inferior colliculus (IC), compared to MP stimulation. Approach. This study explored interactions in the IC produced by simultaneous stimulation of two CI channels. We recorded multi-unit neural activity in the IC of anaesthetized cats with normal and severely degenerated spiral ganglion neuron populations in response to FMP, TP and MP stimulation from a 14 channel CI. Stimuli were applied to a ‘fixed’ CI channel, chosen toward the middle of the cochlear electrode array, and the effects of simultaneously stimulating a more apical ‘test’ CI channel were measured as a function of spatial separation between the two stimulation channels and stimulus level of the fixed channel. Channel interactions were quantified by changes in neural responses and IC threshold (i.e., threshold shift) elicited by simultaneous stimulation of two CI channels, compared to stimulation of the test channel alone. Main results. Channel interactions were significantly lower for FMP and TP than for MP stimulation (p < 0.001), whereas no significant difference was observed between FMP and TP stimulation. With MP stimulation, threshold shifts increased with decreased inter-electrode spacing and increased stimulus levels of the fixed channel. For FMP and TP stimulation, channel interactions were found to be similar for different inter-electrode spacing and stimulus levels of the fixed channel. Significance. The present study demonstrates how the degree of channel interactions in a CI can be controlled using stimulation configurations such as FMP and TP; such knowledge is essential in enhancing CI function in complex acoustic environments.
NASA's Space Launch System: SmallSat Deployment to Deep Space
NASA Technical Reports Server (NTRS)
Robinson, Kimberly F.; Creech, Stephen D.
2017-01-01
Leveraging the significant capability it offers for human exploration and flagship science missions, NASA's Space Launch System (SLS) also provides a unique opportunity for lower-cost deep-space science in the form of small-satellite secondary payloads. Current plans call for such opportunities to begin with the rocket's first flight; a launch of the vehicle's Block 1 configuration, capable of delivering 70 metric tons (t) to Low Earth Orbit (LEO), which will send the Orion crew vehicle around the moon and return it to Earth. On that flight, SLS will also deploy 13 CubeSat-class payloads to deep-space destinations. These secondary payloads will include not only NASA research, but also spacecraft from industry and international partners and academia. The payloads also represent a variety of disciplines including, but not limited to, studies of the moon, Earth, sun, and asteroids. While the SLS Program is making significant progress toward that first launch, preparations are already under way for the second, which will see the booster evolve to its more-capable Block 1B configuration, able to deliver 105t to LEO. That configuration will have the capability to carry large payloads co-manifested with the Orion spacecraft, or to utilize an 8.4-meter (m) fairing to carry payloads several times larger than are currently possible. The Block 1B vehicle will be the workhorse of the Proving Ground phase of NASA's deep-space exploration plans, developing and testing the systems and capabilities necessary for human missions into deep space and ultimately to Mars. Ultimately, the vehicle will evolve to its full Block 2 configuration, with a LEO capability of 130 metric tons. Both the Block 1B and Block 2 versions of the vehicle will be able to carry larger secondary payloads than the Block 1 configuration, creating even more opportunities for affordable scientific exploration of deep space. This paper will outline the progress being made toward flying smallsats on the first flight of SLS, and discuss future opportunities for smallsats on subsequent flights.
NASA'S Space Launch System: Opening Opportunities for Mission Design
NASA Technical Reports Server (NTRS)
Robinson, Kimberly F.; Hefner, Keith; Hitt, David
2015-01-01
Designed to meet the stringent requirements of human exploration missions into deep space and to Mars, NASA's Space Launch System (SLS) vehicle represents a unique new launch capability opening new opportunities for mission design. While SLS's super-heavy launch vehicle predecessor, the Saturn V, was used for only two types of missions - launching Apollo spacecraft to the moon and lofting the Skylab space station into Earth orbit - NASA is working to identify new ways to use SLS to enable new missions or mission profiles. In its initial Block 1 configuration, capable of launching 70 metric tons (t) to low Earth orbit (LEO), SLS is capable of not only propelling the Orion crew vehicle into cislunar space, but also delivering small satellites to deep space destinations. With a 5-meter (m) fairing consistent with contemporary Evolved Expendable Launch Vehicles (EELVs), the Block 1 configuration can also deliver science payloads to high-characteristic-energy (C3) trajectories to the outer solar system. With the addition of an upper stage, the Block 1B configuration of SLS will be able to deliver 105 t to LEO and enable more ambitious human missions into the proving ground of space. This configuration offers opportunities for launching co-manifested payloads with the Orion crew vehicle, and a new class of secondary payloads, larger than today's cubesats. The evolved configurations of SLS, including both Block 1B and the 130 t Block 2, also offer the capability to carry 8.4- or 10-m payload fairings, larger than any contemporary launch vehicle. With unmatched mass-lift capability, payload volume, and C3, SLS not only enables spacecraft or mission designs currently impossible with contemporary EELVs, it also offers enhancing benefits, such as reduced risk and operational costs associated with shorter transit time to destination and reduced risk and complexity associated with launching large systems either monolithically or in fewer components. As this paper will demonstrate, SLS is making strong progress toward first launch, and represents a unique new capability for spaceflight, and an opportunity to reinvent space by developing out-of-the-box missions and mission designs unlike any flown before.
NASA's Space Launch System: An Evolving Capability for Exploration
NASA Technical Reports Server (NTRS)
Crumbly, Christopher M.; Creech, Stephen D.; Robinson,Kimberly F.
2016-01-01
Designed to meet the stringent requirements of human exploration missions into deep space and to Mars, NASA's Space Launch System (SLS) vehicle represents a unique new launch capability opening new opportunities for mission design. While SLS's super-heavy launch vehicle predecessor, the Saturn V, was used for only two types of missions - launching Apollo spacecraft to the moon and lofting the Skylab space station into Earth orbit - NASA is working to identify new ways to use SLS to enable new missions or mission profiles. In its initial Block 1 configuration, capable of launching 70 metric tons (t) to low Earth orbit (LEO), SLS is capable of not only propelling the Orion crew vehicle into cislunar space, but also delivering small satellites to deep space destinations. With a 5-meter (m) fairing consistent with contemporary Evolved Expendable Launch Vehicles (EELVs), the Block 1 configuration can also deliver science payloads to high-characteristic-energy (C3) trajectories to the outer solar system. With the addition of an upper stage, the Block 1B configuration of SLS will be able to deliver 105 t to LEO and enable more ambitious human missions into the proving ground of space. This configuration offers opportunities for launching co-manifested payloads with the Orion crew vehicle, and a new class of secondary payloads, larger than today's cubesats. The evolved configurations of SLS, including both Block 1B and the 130 t Block 2, also offer the capability to carry 8.4- or 10-m payload fairings, larger than any contemporary launch vehicle. With unmatched mass-lift capability, payload volume, and C3, SLS not only enables spacecraft or mission designs currently impossible with contemporary EELVs, it also offers enhancing benefits, such as reduced risk and operational costs associated with shorter transit time to destination and reduced risk and complexity associated with launching large systems either monolithically or in fewer components. As this paper will demonstrate, SLS represents a unique new capability for spaceflight, and an opportunity to reinvent space by developing out-of-the-box missions and mission designs unlike any flown before.
Kumagai, Takashi; Ladenthin, Janina N; Litman, Yair; Rossi, Mariana; Grill, Leonhard; Gawinkowski, Sylwester; Waluk, Jacek; Persson, Mats
2018-03-14
Tautomerization in single porphycene molecules is investigated on Cu(111), Ag(111), and Au(111) surfaces by a combination of low-temperature scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations. It is revealed that the trans configuration is the thermodynamically stable form of porphycene on Cu(111) and Ag(111), whereas the cis configuration occurs as a meta-stable form. The trans → cis or cis → trans conversion on Cu(111) can be induced in an unidirectional fashion by injecting tunneling electrons from the STM tip or heating the surface, respectively. We find that the cis ↔ cis tautomerization on Cu(111) occurs spontaneously via tunneling, verified by the negligible temperature dependence of the tautomerization rate below ∼23 K. Van der Waals corrected DFT calculations are used to characterize the adsorption structures of porphycene and to map the potential energy surface of the tautomerization on Cu(111). The calculated barriers are too high to be thermally overcome at cryogenic temperatures used in the experiment and zero-point energy corrections do not change this picture, leaving tunneling as the most likely mechanism. On Ag(111), the reversible trans ↔ cis conversion occurs spontaneously at 5 K and the cis ↔ cis tautomerization rate is much higher than on Cu(111), indicating a significantly smaller tautomerization barrier on Ag(111) due to the weaker interaction between porphycene and the surface compared to Cu(111). Additionally, the STM experiments and DFT calculations reveal that tautomerization on Cu(111) and Ag(111) occurs with migration of porphycene along the surface; thus, the translational motion couples with the tautomerization coordinate. On the other hand, the trans and cis configurations are not discernible in the STM image and no tautomerization is observed for porphycene on Au(111). The weak interaction of porphycene with Au(111) is closest to the gas-phase limit and therefore the absence of trans and cis configurations in the STM images is explained either by the rapid tautomerization rate or the similar character of the molecular frontier orbitals of the trans and cis configurations.
NASA Astrophysics Data System (ADS)
Kumagai, Takashi; Ladenthin, Janina N.; Litman, Yair; Rossi, Mariana; Grill, Leonhard; Gawinkowski, Sylwester; Waluk, Jacek; Persson, Mats
2018-03-01
Tautomerization in single porphycene molecules is investigated on Cu(111), Ag(111), and Au(111) surfaces by a combination of low-temperature scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations. It is revealed that the trans configuration is the thermodynamically stable form of porphycene on Cu(111) and Ag(111), whereas the cis configuration occurs as a meta-stable form. The trans → cis or cis → trans conversion on Cu(111) can be induced in an unidirectional fashion by injecting tunneling electrons from the STM tip or heating the surface, respectively. We find that the cis ↔ cis tautomerization on Cu(111) occurs spontaneously via tunneling, verified by the negligible temperature dependence of the tautomerization rate below ˜23 K. Van der Waals corrected DFT calculations are used to characterize the adsorption structures of porphycene and to map the potential energy surface of the tautomerization on Cu(111). The calculated barriers are too high to be thermally overcome at cryogenic temperatures used in the experiment and zero-point energy corrections do not change this picture, leaving tunneling as the most likely mechanism. On Ag(111), the reversible trans ↔ cis conversion occurs spontaneously at 5 K and the cis ↔ cis tautomerization rate is much higher than on Cu(111), indicating a significantly smaller tautomerization barrier on Ag(111) due to the weaker interaction between porphycene and the surface compared to Cu(111). Additionally, the STM experiments and DFT calculations reveal that tautomerization on Cu(111) and Ag(111) occurs with migration of porphycene along the surface; thus, the translational motion couples with the tautomerization coordinate. On the other hand, the trans and cis configurations are not discernible in the STM image and no tautomerization is observed for porphycene on Au(111). The weak interaction of porphycene with Au(111) is closest to the gas-phase limit and therefore the absence of trans and cis configurations in the STM images is explained either by the rapid tautomerization rate or the similar character of the molecular frontier orbitals of the trans and cis configurations.
NASA Technical Reports Server (NTRS)
Jennings, Esther H.; Nguyen, Sam P.; Wang, Shin-Ywan; Woo, Simon S.
2008-01-01
NASA's planned Lunar missions will involve multiple NASA centers where each participating center has a specific role and specialization. In this vision, the Constellation program (CxP)'s Distributed System Integration Laboratories (DSIL) architecture consist of multiple System Integration Labs (SILs), with simulators, emulators, testlabs and control centers interacting with each other over a broadband network to perform test and verification for mission scenarios. To support the end-to-end simulation and emulation effort of NASA' exploration initiatives, different NASA centers are interconnected to participate in distributed simulations. Currently, DSIL has interconnections among the following NASA centers: Johnson Space Center (JSC), Kennedy Space Center (KSC), Marshall Space Flight Center (MSFC) and Jet Propulsion Laboratory (JPL). Through interconnections and interactions among different NASA centers, critical resources and data can be shared, while independent simulations can be performed simultaneously at different NASA locations, to effectively utilize the simulation and emulation capabilities at each center. Furthermore, the development of DSIL can maximally leverage the existing project simulation and testing plans. In this work, we describe the specific role and development activities at JPL for Space Communications and Navigation Network (SCaN) simulator using the Multi-mission Advanced Communications Hybrid Environment for Test and Evaluation (MACHETE) tool to simulate communications effects among mission assets. Using MACHETE, different space network configurations among spacecrafts and ground systems of various parameter sets can be simulated. Data that is necessary for tracking, navigation, and guidance of spacecrafts such as Crew Exploration Vehicle (CEV), Crew Launch Vehicle (CLV), and Lunar Relay Satellite (LRS) and orbit calculation data are disseminated to different NASA centers and updated periodically using the High Level Architecture (HLA). In addition, the performance of DSIL under different traffic loads with different mix of data and priorities are evaluated.
Ayouz, Mehdi; Babikov, Dmitri
2012-01-01
New global potential energy surface for the ground electronic state of ozone is constructed at the complete basis set level of the multireference configuration interaction theory. A method of fitting the data points by analytical permutationally invariant polynomial function is adopted. A small set of 500 points is preoptimized using the old surface of ozone. In this procedure the positions of points in the configuration space are chosen such that the RMS deviation of the fit is minimized. New ab initio calculations are carried out at these points and are used to build new surface. Additional points are added tomore » the vicinity of the minimum energy path in order to improve accuracy of the fit, particularly in the region where the surface of ozone exhibits a shallow van der Waals well. New surface can be used to study formation of ozone at thermal energies and its spectroscopy near the dissociation threshold.« less
Shock-Induced Separated Structures in Symmetric Corner Flows
NASA Technical Reports Server (NTRS)
DAmbrosio, Domenic; Marsilio, Roberto
1995-01-01
Three-dimensional supersonic viscous laminar flows over symmetric corners are considered in this paper. The characteristic features of such configurations are discussed and an historical survey on the past research work is presented. A new contribution based on a numerical technique that solves the parabolized form of the Navier-Stokes equations is presented. Such a method makes it possible to obtain very detailed descriptions of the flowfield with relatively modest CPU time and memory storage requirements. The numerical approach is based on a space-marching technique, uses a finite volume discretization and an upwind flux-difference splitting scheme (developed for the steady flow equations) for the evaluation of the inviscid fluxes. Second order accuracy is reached following the guidelines of the ENO schemes. Different free-stream conditions and geometrical configurations are considered. Primary and secondary streamwise vortical structures embedded in the boundary layer and originated by the interaction of the latter with shock waves are detected and studied. Computed results are compared with experimental data taken from literature.
Modal Survey of ETM-3, A 5-Segment Derivative of the Space Shuttle Solid Rocket Booster
NASA Technical Reports Server (NTRS)
Nielsen, D.; Townsend, J.; Kappus, K.; Driskill, T.; Torres, I.; Parks, R.
2005-01-01
The complex interactions between internal motor generated pressure oscillations and motor structural vibration modes associated with the static test configuration of a Reusable Solid Rocket Motor have potential to generate significant dynamic thrust loads in the 5-segment configuration (Engineering Test Motor 3). Finite element model load predictions for worst-case conditions were generated based on extrapolation of a previously correlated 4-segment motor model. A modal survey was performed on the largest rocket motor to date, Engineering Test Motor #3 (ETM-3), to provide data for finite element model correlation and validation of model generated design loads. The modal survey preparation included pretest analyses to determine an efficient analysis set selection using the Effective Independence Method and test simulations to assure critical test stand component loads did not exceed design limits. Historical Reusable Solid Rocket Motor modal testing, ETM-3 test analysis model development and pre-test loads analyses, as well as test execution, and a comparison of results to pre-test predictions are discussed.
Deployment Simulation Methods for Ultra-Lightweight Inflatable Structures
NASA Technical Reports Server (NTRS)
Wang, John T.; Johnson, Arthur R.
2003-01-01
Two dynamic inflation simulation methods are employed for modeling the deployment of folded thin-membrane tubes. The simulations are necessary because ground tests include gravity effects and may poorly represent deployment in space. The two simulation methods are referred to as the Control Volume (CV) method and the Arbitrary Lagrangian Eulerian (ALE) method. They are available in the LS-DYNA nonlinear dynamic finite element code. Both methods are suitable for modeling the interactions between the inflation gas and the thin-membrane tube structures. The CV method only considers the pressure induced by the inflation gas in the simulation, while the ALE method models the actual flow of the inflation gas. Thus, the transient fluid properties at any location within the tube can be predicted by the ALE method. Deployment simulations of three packaged tube models; namely coiled, Z-folded, and telescopically-folded configurations, are performed. Results predicted by both methods for the telescopically-folded configuration are correlated and computational efficiency issues are discussed.
NASA Technical Reports Server (NTRS)
Pace, R. E., Jr.; Craft, H. G., Jr.
1977-01-01
NASA has issued payload flight assignments for the first three Spacelab missions. The first two of these missions will have dual objectives, that of verifying Spacelab system performance and accomplishing meaningful space research. The first of these missions will be a joint NASA and ESA mission with a multidisciplinary payload. The second mission will verify a different Spacelab configuration while addressing the scientific disciplines of astrophysics. The third assigned mission will concentrate on utilizing the capabilities of Spacelab to perform meaningful experiments in space applications, primarily space processing. The paper describes these missions with their objectives, planned configuration and accommodation.
Measurements of the Flowfield Interaction Between Tandem Cylinders
NASA Technical Reports Server (NTRS)
Neuhart, Dan H.; Jenkins, Luther N.; Choudhari, Meelan M.; Khorrami, Mehdi R.
2009-01-01
This paper presents the most recent measurements from an ongoing investigation of the unsteady wake interference between a pair of circular cylinders in tandem. The purpose of this investigation is to help build an in-depth experimental database for this canonical flow configuration that embodies the effects of component interaction in landing gear noise. This new set of measurements augments the previous database at the primary Reynolds number (based on tunnel speed and cylinder diameter) of 1.66 105 in four important respects. First, better circumferential resolution of surface pressure fluctuations is obtained via cylinder "clocking". Second, higher resolution particle image velocimetry measurements of the shear layer separating from the cylinders are achieved. Third, the effects of simultaneous boundary layer trips along both the front and rear cylinders, versus front cylinder alone in the previous measurements, are studied. Lastly, on-surface and off-surface characteristics of unsteady flow near the "critical" cylinder spacing, wherein the flow switches intermittently between two states that are characteristic of lower and higher spacings, are examined. This critical spacing occurs in the middle of a relatively sudden change in the drag of either cylinder and is characterized by a loud intermittent noise and a flow behavior that randomly transitions between shear layer attachment to the rear cylinder and constant shedding and rollup in front of it. Analysis of this bistable flow state reveals much larger spanwise correlation lengths of surface pressure fluctuations than those at larger and smaller values of the cylinder spacing.
Enhanced Sampling Methods for the Computation of Conformational Kinetics in Macromolecules
NASA Astrophysics Data System (ADS)
Grazioli, Gianmarc
Calculating the kinetics of conformational changes in macromolecules, such as proteins and nucleic acids, is still very much an open problem in theoretical chemistry and computational biophysics. If it were feasible to run large sets of molecular dynamics trajectories that begin in one configuration and terminate when reaching another configuration of interest, calculating kinetics from molecular dynamics simulations would be simple, but in practice, configuration spaces encompassing all possible configurations for even the simplest of macromolecules are far too vast for such a brute force approach. In fact, many problems related to searches of configuration spaces, such as protein structure prediction, are considered to be NP-hard. Two approaches to addressing this problem are to either develop methods for enhanced sampling of trajectories that confine the search to productive trajectories without loss of temporal information, or coarse-grained methodologies that recast the problem in reduced spaces that can be exhaustively searched. This thesis will begin with a description of work carried out in the vein of the second approach, where a Smoluchowski diffusion equation model was developed that accurately reproduces the rate vs. force relationship observed in the mechano-catalytic disulphide bond cleavage observed in thioredoxin-catalyzed reduction of disulphide bonds. Next, three different novel enhanced sampling methods developed in the vein of the first approach will be described, which can be employed either separately or in conjunction with each other to autonomously define a set of energetically relevant subspaces in configuration space, accelerate trajectories between the interfaces dividing the subspaces while preserving the distribution of unassisted transition times between subspaces, and approximate time correlation functions from the kinetic data collected from the transitions between interfaces.
NASA Astrophysics Data System (ADS)
Vernisse, Y.; Riousset, J. A.; Motschmann, U.; Glassmeier, K.-H.
2018-03-01
This study addresses the issue of the electromagnetic interactions between a stellar wind and planetary magnetospheres with various dipole field strengths by means of hybrid simulations. Focus is placed on the configuration where the upstream plasma magnetic field is parallel to the planetary magnetic moment (also called "Southward-IMF" configuration), leading to anti-parallel magnetic fields in the dayside interaction region. Each type of plasma interaction is characterized by means of currents flowing in the interaction region. Reconnection triggered in the tail in such configuration is shown to affect significantly the structure of the magnetotail at early stages. On the dayside, only the magnetopause current is observable for moderate planetary dipole field amplitude, while both bow-shock and magnetotail currents are identifiable downtail from the terminator. Strong differences in term of temperature for ions are particularly noticeable in the magnetosheath and in the magnetotail, when the present results are compared with our previous study, which focused on "Northward-IMF" configuration.
Building polyhedra by self-assembly: theory and experiment.
Kaplan, Ryan; Klobušický, Joseph; Pandey, Shivendra; Gracias, David H; Menon, Govind
2014-01-01
We investigate the utility of a mathematical framework based on discrete geometry to model biological and synthetic self-assembly. Our primary biological example is the self-assembly of icosahedral viruses; our synthetic example is surface-tension-driven self-folding polyhedra. In both instances, the process of self-assembly is modeled by decomposing the polyhedron into a set of partially formed intermediate states. The set of all intermediates is called the configuration space, pathways of assembly are modeled as paths in the configuration space, and the kinetics and yield of assembly are modeled by rate equations, Markov chains, or cost functions on the configuration space. We review an interesting interplay between biological function and mathematical structure in viruses in light of this framework. We discuss in particular: (i) tiling theory as a coarse-grained description of all-atom models; (ii) the building game-a growth model for the formation of polyhedra; and (iii) the application of these models to the self-assembly of the bacteriophage MS2. We then use a similar framework to model self-folding polyhedra. We use a discrete folding algorithm to compute a configuration space that idealizes surface-tension-driven self-folding and analyze pathways of assembly and dominant intermediates. These computations are then compared with experimental observations of a self-folding dodecahedron with side 300 μm. In both models, despite a combinatorial explosion in the size of the configuration space, a few pathways and intermediates dominate self-assembly. For self-folding polyhedra, the dominant intermediates have fewer degrees of freedom than comparable intermediates, and are thus more rigid. The concentration of assembly pathways on a few intermediates with distinguished geometric properties is biologically and physically important, and suggests deeper mathematical structure.
Rapid Airplane Parametric Input Design (RAPID)
NASA Technical Reports Server (NTRS)
Smith, Robert E.
1995-01-01
RAPID is a methodology and software system to define a class of airplane configurations and directly evaluate surface grids, volume grids, and grid sensitivity on and about the configurations. A distinguishing characteristic which separates RAPID from other airplane surface modellers is that the output grids and grid sensitivity are directly applicable in CFD analysis. A small set of design parameters and grid control parameters govern the process which is incorporated into interactive software for 'real time' visual analysis and into batch software for the application of optimization technology. The computed surface grids and volume grids are suitable for a wide range of Computational Fluid Dynamics (CFD) simulation. The general airplane configuration has wing, fuselage, horizontal tail, and vertical tail components. The double-delta wing and tail components are manifested by solving a fourth order partial differential equation (PDE) subject to Dirichlet and Neumann boundary conditions. The design parameters are incorporated into the boundary conditions and therefore govern the shapes of the surfaces. The PDE solution yields a smooth transition between boundaries. Surface grids suitable for CFD calculation are created by establishing an H-type topology about the configuration and incorporating grid spacing functions in the PDE equation for the lifting components and the fuselage definition equations. User specified grid parameters govern the location and degree of grid concentration. A two-block volume grid about a configuration is calculated using the Control Point Form (CPF) technique. The interactive software, which runs on Silicon Graphics IRIS workstations, allows design parameters to be continuously varied and the resulting surface grid to be observed in real time. The batch software computes both the surface and volume grids and also computes the sensitivity of the output grid with respect to the input design parameters by applying the precompiler tool ADIFOR to the grid generation program. The output of ADIFOR is a new source code containing the old code plus expressions for derivatives of specified dependent variables (grid coordinates) with respect to specified independent variables (design parameters). The RAPID methodology and software provide a means of rapidly defining numerical prototypes, grids, and grid sensitivity of a class of airplane configurations. This technology and software is highly useful for CFD research for preliminary design and optimization processes.
The complex magnetic field configuration of the Martian magnetotail as observed by MAVEN
NASA Astrophysics Data System (ADS)
DiBraccio, Gina A.; Luhmann, Janet; Curry, Shannon; Espley, Jared R.; Gruesbeck, Jacob; Xu, Shaosui; Mitchell, David; Soobiah, Yasir; Connerney, John E. P.; Dong, Chuanfei; Harada, Yuki; Ruhunusiri, Suranga; Halekas, Jasper; Hara, Takuya; Ma, Yingjuan; Brain, David; Jakosky, Bruce
2017-10-01
The Martian magnetosphere forms as the solar wind directly interacts with the planet’s upper atmosphere. During this interaction, the Sun’s interplanetary magnetic field (IMF) drapes around the planet and local crustal magnetic fields, creating a magnetosphere configuration that has attributes of both an induced magnetosphere like that of Venus, and a complex, small-scale magnetosphere like the Moon. In addition to the closed crustal fields and draped IMF at Mars, open magnetic fields are created when magnetic reconnection occurs between the planetary fields and the IMF. These various field topologies present a complex magnetotail structure that we are now able to explore using a combination of MAVEN observations and magnetohydrodynamic (MHD) simulations. Preliminary MHD results have suggested that the Martian magnetotail includes a dual-lobe component, composed of open crustal fields, enveloped by an induced comet-like tail. These simulated open-field lobes are twisted by roughly 45°, either clockwise or counterclockwise, from the ecliptic plane. This rotation depends on the east-west component of the IMF. We utilize MAVEN Magnetometer and Solar Wind Ion Analyzer (SWIA) measurements collected over two Earth years to analyze the tail magnetic field configuration as a function of IMF direction. Cross-tail views of the average measured magnetic field components directed toward and away from the planet are compared for a variety of solar wind parameters. We find that, in agreement with simulation results, the east-west IMF component strongly affects the magnetotail structure, twisting its sunward-antisunward polarity patterns in response to changing IMF orientation. Through a data-model comparison we are able to infer that regions of open magnetic fields in the tail are likely reconnected crustal fields. Futhermore, these open fields in the tail may contribute to atmospheric escape to space. From this investigation we are able to confirm that the Martian magnetotail is a hybrid configuration between intrinsic and induced magnetospheres, shifting the paradigm of Mars’ magnetosphere as we have understood it thus far.
Local and non-local deficits in amblyopia: acuity and spatial interactions.
Bonneh, Yoram S; Sagi, Dov; Polat, Uri
2004-12-01
Amblyopic vision is thought to be limited by abnormal long-range spatial interactions, but their exact mode of action and relationship to the main amblyopic deficit in visual acuity is largely unknown. We studied this relationship in a group (N=59) of anisometropic (N=21) and strabismic (or combined, N=38) subjects, using (1) a single and multi-pattern (crowded) computerized static Tumbling-E test with scaled spacing of two pattern widths (TeVA), in addition to an optotype (ETDRS chart) acuity test (VA) and (2) contrast detection of Gabor patches with lateral flankers (lateral masking) along the horizontal and vertical axes as well as in collinear and parallel configurations. By correlating the different measures of visual acuity and contrast suppression, we found that (1) the VA of the strabismic subjects could be decomposed into two uncorrelated components measured in TeVA: acuity for isolated patterns and acuity reduction due to flanking patterns. The latter comprised over 60% of the VA magnitude, on the average and accounted for over 50% of its variance. In contrast, a slight reduction in acuity was found in the anisometropic subjects, and the acuity for a single pattern could account for 70% of the VA variance. (2) The lateral suppression (contrast threshold elevation) in a parallel configuration along the horizontal axis was correlated with the VA (R2=0.7), as well as with the crowding effect (TeVA elevation, R2=0.5) for the strabismic group. Some correlation with the VA was also found for the collinear configuration in the anisometropic group, but less suppression and no correlation were found for all the vertical configurations in all the groups. The results indicate the existence of a specific non-local component of the strabismic deficit, in addition to the local acuity deficit in all amblyopia types. This deficit might reflect long-range lateral inhibition, or alternatively, an inaccurate and scattered top-down attentional selection mechanism.
Space Station life sciences guidelines for nonhuman experiment accommodation
NASA Technical Reports Server (NTRS)
Arno, R.; Hilchey, J.
1985-01-01
Life scientists will utilize one of four habitable modules which constitute the initial Space Station configuration. This module will be initially employed for studies related to nonhuman and human life sciences. At a later date, a new module, devoted entirely to nonhuman life sciences will be launched. This report presents a description of the characteristics of a Space Station laboratory facility from the standpoint of nonhuman research requirements. Attention is given to the science rationale for experiments which support applied medical research and basic gravitational biology, mission profiles and typical equipment and subsystem descriptions, issues associated with the accommodation of nonhuman life sciences on the Space Station, and conceptual designs for the initial operational capability configuration and later Space Station life-sciences research facilities.
NASA Technical Reports Server (NTRS)
Schulze, Norman R.; Miley, George H.; Santarius, John F.
1991-01-01
The fusion energy conversion design approach, the Field Reversed Configuration (FRC) - when burning deuterium and helium-3, offers a new method and concept for space transportation with high energy demanding programs, like the Manned Mars Mission and planetary science outpost missions require. FRC's will increase safety, reduce costs, and enable new missions by providing a high specific power propulsion system from a high performance fusion engine system that can be optimally designed. By using spacecraft powered by FRC's the space program can fulfill High Energy Space Missions (HESM) in a manner not otherwise possible. FRC's can potentially enable the attainment of high payload mass fractions while doing so within shorter flight times.
Bodily Explorations in Space: Social Experience of a Multimodal Art Installation
NASA Astrophysics Data System (ADS)
Jacucci, Giulio; Spagnolli, Anna; Chalambalakis, Alessandro; Morrison, Ann; Liikkanen, Lassi; Roveda, Stefano; Bertoncini, Massimo
We contribute with an extensive field study of a public interactive art installation that applies multimodal interface technologies. The installation is part of a Theater production on Galileo Galilei and includes: projected galaxies that are generated and move according to motion of visitors changing colour depending on their voices; projected stars that configure themselves around shadows of visitors. In the study we employ emotion scales (PANAS), qualitative analysis of questionnaire answers and video-recordings. PANAS rates indicate dominantly positive feelings, further described in the subjective verbalizations as gravitating around interest, ludic pleasure and transport. Through the video analysis, we identified three phases in the interaction with the artwork (circumspection, testing, play) and two pervasive features of these phases (experience sharing and imitation), which were also found in the verbalizations. Both video and verbalisations suggest that visitor’s experience and ludic pleasure are rooted in the embodied, performative interaction with the installation, and is negotiated with the other visitors.
A 4-m evolvable space telescope configured for NASA's HabEx Mission: the initial stage of LUVOIR
NASA Astrophysics Data System (ADS)
Lillie, Charles F.; MacEwen, Howard A.; Polidan, Ronald S.; Breckinridge, James B.
2017-09-01
Previous papers have described our concept for a large telescope that would be assembled in space in several stages (in different configurations) over a period of fifteen to 20 years. Spreading the telescope development, launch and operations cost over 20 years would minimize the impact on NASA's annual budget and drastically shorten the time between program start and "first light" for this space observatory. The first Stage of this Evolvable Space Telescope (EST) would consist of an instrument module located at the prime focus of three 4-meter hexagonal mirrors arranged in a semi-circle to form one-half of a 12-m segmented mirror. After several years three additional 4-m mirrors would be added to create a 12-m filled aperture. Later, twelve more 4-m mirrors will be added to this Stage 2 telescope to create a 20-m filled aperture space telescope. At each stage the telescope would have an unparalleled capability for UVOIR observations, and the results of these observations will guide the evolution of the telescope and its instruments. In this paper we describe our design concept for an initial configuration of our Evolvable Space Telescope that can meet the requirements of the 4-m version of the HabEx spacecraft currently under consideration by NASA's Habitable Exoplanet Science and Technology Definition Team. This "Stage Zero" configuration will have only one 4-m mirror segment with the same 30-m focal length and a prime focus coronagraph with normal incidence optics to minimize polarization effects. After assembly and checkout in cis-lunar space, the telescope would transfer to a Sun-Earth L2 halo orbit and obtain high sensitivity, high resolution, high contrast UVOIR observations that address the scientific objectives of the Habitable-Exoplanet Imaging Missions.
MAVEN observations of complex magnetic field configuration in the Martian magnetotail
NASA Astrophysics Data System (ADS)
DiBraccio, G. A.; Luhmann, J. G.; Curry, S.; Espley, J. R.; Gruesbeck, J.; Xu, S.; Mitchell, D. L.; Soobiah, Y. I. J.; Connerney, J. E. P.; Dong, C.; Harada, Y.; Ruhunusiri, S.; Halekas, J. S.; Hara, T.; Ma, Y.; Brain, D.; Jakosky, B. M.
2017-12-01
The magnetosphere of Mars has attributes of both induced and intrinsic magnetospheres, forming as a result of direct solar wind interaction with the planet's upper atmosphere and local crustal magnetic fields. Magnetic reconnection is able to occur between the draped interplanetary magnetic field (IMF) and closed crustal magnetic fields, creating an open field topology with one end attached to the planet and the other flowing in the solar wind. For this reason, the Martian magnetotail becomes a complex menagerie of various field topologies that may contribute to atmospheric escape to space. We explore these magnetic topologies in the Martian magnetotail using a combination of observations from the the Mars Atmosphere Volatile EvolutioN (MAVEN) spacecraft along with magnetohydrodynamic (MHD) simulations. Preliminary MHD results suggest that the central tail contains two lobes composed of open crustal fields, which are twisted by roughly 45°, either clockwise or counterclockwise from the ecliptic plane, in response to the east-west component of the IMF. These simulated open-field lobes are enveloped by an induced comet-like tail formed by the draped IMF. Using two Earth years of data, we analyze MAVEN Magnetometer and Solar Wind Ion Analyzer (SWIA) measurements to assess the tail magnetic field configuration as a function of IMF orientation. We infer, through data-model comparisons, that the open-field tail lobes are likely a result of reconnection between the crustal fields and the IMF. The open topology of these fields may in fact contribute to atmospheric loss to space. This investigation confirms that the Martian magnetotail is a hybrid configuration between intrinsic and induced magnetospheres, shifting the paradigm of Mars' magnetosphere as we have understood it thus far.
Theoretical research program to study chemical reactions in AOTV bow shock tubes
NASA Technical Reports Server (NTRS)
Taylor, P.
1986-01-01
Progress in the development of computational methods for the characterization of chemical reactions in aerobraking orbit transfer vehicle (AOTV) propulsive flows is reported. Two main areas of code development were undertaken: (1) the implementation of CASSCF (complete active space self-consistent field) and SCF (self-consistent field) analytical first derivatives on the CRAY X-MP; and (2) the installation of the complete set of electronic structure codes on the CRAY 2. In the area of application calculations the main effort was devoted to performing full configuration-interaction calculations and using these results to benchmark other methods. Preprints describing some of the systems studied are included.
Human-Robot Site Survey and Sampling for Space Exploration
NASA Technical Reports Server (NTRS)
Fong, Terrence; Bualat, Maria; Edwards, Laurence; Flueckiger, Lorenzo; Kunz, Clayton; Lee, Susan Y.; Park, Eric; To, Vinh; Utz, Hans; Ackner, Nir
2006-01-01
NASA is planning to send humans and robots back to the Moon before 2020. In order for extended missions to be productive, high quality maps of lunar terrain and resources are required. Although orbital images can provide much information, many features (local topography, resources, etc) will have to be characterized directly on the surface. To address this need, we are developing a system to perform site survey and sampling. The system includes multiple robots and humans operating in a variety of team configurations, coordinated via peer-to-peer human-robot interaction. In this paper, we present our system design and describe planned field tests.
Simbol-X Mirror Module Thermal Shields: II-Small Angle X-Ray Scattering Measurements
NASA Astrophysics Data System (ADS)
Barbera, M.; Ayers, T.; Collura, A.; Nasillo, G.; Pareschi, G.; Tagliaferri, G.
2009-05-01
The formation flight configuration of the Simbol-X mission implies that the X-ray mirror module will be open to Space on both ends. In order to reduce the power required to maintain the thermal stability and, therefore, the high angular resolution of the shell optics, a thin foil thermal shield will cover the mirror module. Different options are presently being studied for the foil material of these shields. We report results of an experimental investigation conducted to verify that the scattering of X-rays, by interaction with the thin foil material of the thermal shield, will not significantly affect the performances of the telescope.
GR718- Radiation-Tolerant 18x SpaceWire Router
NASA Astrophysics Data System (ADS)
Ekergaren, Jonas; Habinc, Sandi; Johansson, Fredrik; Sturesson, Fredrik; Simlastik, Martin; Hernandez, Francisco; Redant, Steven; Stinkens, Kurt; Thys, Geert; Das Arul Mahesh, Jagadeesa; Suess, Martin
2015-09-01
GR718 is a radiation tolerant 18 port standalone SpaceWire router component that has been developed by Cobham Gaisler together with IMEC (BE), in an activity initiated by the European Space Agency under ESTEC contract 4000105402/12/NL/Cbi. Out of the 18 SpaceWire ports, 16 use on-chip LVDS transceivers, and two use LVTTL signaling. Included also is the mandatory configuration port, as well as an internal port for system level testing. All ports are capable of operating in 200 Mbit/s. UART and JTAG interfaces, that gives access to the on-chip AMBA AHB bus, are provided for configuration and debugging. SPI and GPIO interfaces are accessible through the configuration port, which allows SPI devices to be accessed and general purpose signaling to be performed through RMAP commands. In addition to the mandatory features in the current ECSS SpaceWire standard, GR718 supports group adaptive routing for path addresses, and packet distribution. It also includes support for the incoming SpaceWire standard revision 1 (ECSS-E-ST-50-12C Rev.1), the SpaceWire-D protocol, and the SpaceWire Plug-and-Play protocol currently being developed for ECSS. The technology used is UMC 180 nm, using the DARE library from IMEC, and the package is a 256 pin CQFP. A development board for evaluation and software development has been manufactured as well.
2003-05-20
KENNEDY SPACE CENTER, FLA. - The external tank in the Vehicle Assembly Building (VAB) is destacked from the solid rocket boosters. The tank and SRBs were configured for Atlantis and mission STS-114. The tank will remain in the VAB.
NASA Technical Reports Server (NTRS)
Packard, Ed
2016-01-01
This presentation describes the test objectives, test summary, test configuration and test performance of the James Webb Space Telescope Integrated Science Instrument Module CryoVac 3 Thermal Vacuum Test. Verify the ISIM System in its final configuration after environmental exposure and provide a post-environmental performance baseline, including critical ground calibrations needed for science data processing in flight.
Integrated computer-aided design using minicomputers
NASA Technical Reports Server (NTRS)
Storaasli, O. O.
1980-01-01
Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM), a highly interactive software, has been implemented on minicomputers at the NASA Langley Research Center. CAD/CAM software integrates many formerly fragmented programs and procedures into one cohesive system; it also includes finite element modeling and analysis, and has been interfaced via a computer network to a relational data base management system and offline plotting devices on mainframe computers. The CAD/CAM software system requires interactive graphics terminals operating at a minimum of 4800 bits/sec transfer rate to a computer. The system is portable and introduces 'interactive graphics', which permits the creation and modification of models interactively. The CAD/CAM system has already produced designs for a large area space platform, a national transonic facility fan blade, and a laminar flow control wind tunnel model. Besides the design/drafting element analysis capability, CAD/CAM provides options to produce an automatic program tooling code to drive a numerically controlled (N/C) machine. Reductions in time for design, engineering, drawing, finite element modeling, and N/C machining will benefit productivity through reduced costs, fewer errors, and a wider range of configuration.
Multi-static MIMO along track interferometry (ATI)
NASA Astrophysics Data System (ADS)
Knight, Chad; Deming, Ross; Gunther, Jake
2016-05-01
Along-track interferometry (ATI) has the ability to generate high-quality synthetic aperture radar (SAR) images and concurrently detect and estimate the positions of ground moving target indicators (GMTI) with moderate processing requirements. This paper focuses on several different ATI system configurations, with an emphasis on low-cost configurations employing no active electronic scanned array (AESA). The objective system has two transmit phase centers and four receive phase centers and supports agile adaptive radar behavior. The advantages of multistatic, multiple input multiple output (MIMO) ATI system configurations are explored. The two transmit phase centers can employ a ping-pong configuration to provide the multistatic behavior. For example, they can toggle between an up and down linear frequency modulated (LFM) waveform every other pulse. The four receive apertures are considered in simple linear spatial configurations. Simulated examples are examined to understand the trade space and verify the expected results. Finally, actual results are collected with the Space Dynamics Laboratorys (SDL) FlexSAR system in diverse configurations. The theory, as well as the simulated and actual SAR results, are presented and discussed.
NASA Technical Reports Server (NTRS)
Weil, J.
1981-01-01
Flight derived longitudinal and lateral-directional stability and control derivatives were compared to wind-tunnel derived values. As a result of these comparisons, boundaries representing the uncertainties that could be expected from wind-tunnel predictions were established. These boundaries provide a useful guide for control system sensitivity studies prior to flight. The primary application for this data was the space shuttle, and as a result the configurations included in the study were those most applicable to the space shuttle. The configurations included conventional delta wing aircraft as well as the X-15 and lifting body vehicles.
Permutation-invariant distance between atomic configurations
NASA Astrophysics Data System (ADS)
Ferré, Grégoire; Maillet, Jean-Bernard; Stoltz, Gabriel
2015-09-01
We present a permutation-invariant distance between atomic configurations, defined through a functional representation of atomic positions. This distance enables us to directly compare different atomic environments with an arbitrary number of particles, without going through a space of reduced dimensionality (i.e., fingerprints) as an intermediate step. Moreover, this distance is naturally invariant through permutations of atoms, avoiding the time consuming associated minimization required by other common criteria (like the root mean square distance). Finally, the invariance through global rotations is accounted for by a minimization procedure in the space of rotations solved by Monte Carlo simulated annealing. A formal framework is also introduced, showing that the distance we propose verifies the property of a metric on the space of atomic configurations. Two examples of applications are proposed. The first one consists in evaluating faithfulness of some fingerprints (or descriptors), i.e., their capacity to represent the structural information of a configuration. The second application concerns structural analysis, where our distance proves to be efficient in discriminating different local structures and even classifying their degree of similarity.
Short-range density functional correlation within the restricted active space CI method
NASA Astrophysics Data System (ADS)
Casanova, David
2018-03-01
In the present work, I introduce a hybrid wave function-density functional theory electronic structure method based on the range separation of the electron-electron Coulomb operator in order to recover dynamic electron correlations missed in the restricted active space configuration interaction (RASCI) methodology. The working equations and the computational algorithm for the implementation of the new approach, i.e., RAS-srDFT, are presented, and the method is tested in the calculation of excitation energies of organic molecules. The good performance of the RASCI wave function in combination with different short-range exchange-correlation functionals in the computation of relative energies represents a quantitative improvement with respect to the RASCI results and paves the path for the development of RAS-srDFT as a promising scheme in the computation of the ground and excited states where nondynamic and dynamic electron correlations are important.
Electromagnetic toroidal excitations in matter and free space.
Papasimakis, N; Fedotov, V A; Savinov, V; Raybould, T A; Zheludev, N I
2016-03-01
The toroidal dipole is a localized electromagnetic excitation, distinct from the magnetic and electric dipoles. While the electric dipole can be understood as a pair of opposite charges and the magnetic dipole as a current loop, the toroidal dipole corresponds to currents flowing on the surface of a torus. Toroidal dipoles provide physically significant contributions to the basic characteristics of matter including absorption, dispersion and optical activity. Toroidal excitations also exist in free space as spatially and temporally localized electromagnetic pulses propagating at the speed of light and interacting with matter. We review recent experimental observations of resonant toroidal dipole excitations in metamaterials and the discovery of anapoles, non-radiating charge-current configurations involving toroidal dipoles. While certain fundamental and practical aspects of toroidal electrodynamics remain open for the moment, we envision that exploitation of toroidal excitations can have important implications for the fields of photonics, sensing, energy and information.