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Digital computer program simulates system and related functions. Program is intended for, but not limited to, altitude control studies of rotating space station. Russel's method of formulating and solving motion equations for system of rigid bodies connected by movable joints is applied. Program features are listed.
A description of a hybrid simulation of the 040C orbiter aborting from boost to specified landing site is provided. The simulation starts when the abort is initiated and continues until a terminal energy state (associated with the selected landing site) is reached. At abort it is assumed that all SRM's are jettisoned with the external tank remaining with the orbiter. The simulation described has six degrees of freedom with the vehicle simulated as a rigid body. A conventional form of autopilot is provided to control engine gimbaling during powered flight. An ideal form of an autopilot is provided to test conventional autopilot function and provide pseudo RCS function during coasting flight. The simulation is proposed to provide means for studies of abort guidance function and to gain information concerning ability to control the abort trajectory.
Swarms are aggregations of spacecraft or elements of a space system which are cooperative in function, but physically isolated or only loosely connected. For some missions the swarm configuration may be optimum compared to a group of completely independent spacecraft or a complex rigidly integrated spacecraft or space platform. General features of swarms are induced by considering an ensemble of 26 swarms, examples ranging from Earth centered swarms for commercial application to swarms for exploring minor planets. A concept for a low altitude swarm as a substitute for a space platform is proposed and a preliminary design studied. The salient design feature is the web of tethers holding the 30 km swarm in a rigid two dimensional array in the orbital plane. A mathematical discussion and tutorial in tether technology and in some aspects of the distribution of services (mass, energy, and information to swarm elements) are included.
Closed-loop stability is investigated for multivariable linear time-invariant systems controlled by optimal full state feedback linear quadratic (LQ) regulators, with nonlinear gains present in the feedback channels. Estimates are obtained for the region of attraction when the nonlinearities escape the (0.5, infinity) sector in regions away from the origin and for the region of ultimate boundedness when the nonlinearities escape the sector near the origin. The expressions for these regions also provide methods for selecting the performance function parameters in order to obtain LQ designs with better tolerance for nonlinearities. The analytical results are illustrated by applying them to the problem of controlling the rigid-body pitch angle and elastic motion of a large, flexible space antenna.
Evolutionary models of metal-poor stars are computed including the effects of rotation, and their properties are compared with observations. The models rotate slowly at the surface, in agreement with the observed upper limits on the rotation velocity at main-sequence turnoff; they also have substantial differential rotation with depth. This differential rotation preserves a sufficient amount of internal angular momentum to explain the rapid rotation of evolved horizontal-branch stars. These results hold for a wide range of angular momentum loss and transport parameter values. Differences and similarities between the surface and internal rotation of solar metallicity and metal-poor models are discussed. Rigidly rotating models are found to be incompatible with the observations once giant branch mass loss is taken into account. Horizontal-branch rotation velocity measurements as a function of color are proposed as a test of the rotation law enforced in convection zones, and their dependence on cluster age and metallicity are discussed.
A combination of Euler parameter kinematics and Hamiltonian mechanics provides a rigid body dynamics model well suited for use in strongly nonlinear problems involving arbitrarily large rotations. The model is unconstrained, free of singularities, includes a general potential energy function and a minimum set of momentum variables, and takes an explicit state space form convenient for numerical implementation. The general formulation may be specialized to address particular applications, as illustrated in several three dimensional example problems.
In an earlier study of solar differential rotation, we showed that the transport of magnetic flux across latitudes acts to establish quasi-stationary patterns, therby accounting for the observed rigid rotation of the large-scale photospheric field. In that paper, the effect of supergranular convection was represented by a continuum diffusion, limiting the applicability of the calculations to large spatial scales. Here we extend the model to scales comparable to that of the supergranulation itself by replacing the diffusive transport with a discrete random walk process. Rotation curves are derived by cross-correlating the simulated photospheric field maps for a variety of time lags and spatial resolutions. When the lag between maps is relatively short less than or approximately = 15 days), the midlatitude correlation functions show two distinct components: a broad feature associated with the large-scale unipolar patterns and a narrow feature originating from small magnetic structures encompossing from one to several supergranular cells. By fitting the broad component we obtain the rigid rotation profile of the patterns, whereas by fitting the narrow component, we recover the differential rate of the photospheric plasma itself. For time lags of 1 month or greater, only the broad feature associated with the long-lived patterns remains clearly identifiable in the simulations.
In this paper, we present a strategy for quantitatively evaluating the field-induced alignment of nonspherical particles using small-angle scattering techniques. The orientational distribution function (ODF) is determined from the anisotropic scattering intensity via the scheme of real spherical harmonic expansion. Our developed approach is simple and analytical and does not require a presumptive hypothesis of the ODF as an input in data analysis. A model study of aligned rigid rods demonstrates the validity of this proposed approach to facilitate the quantitative structural characterization of materials with preferred orientational states.
A comprehensive systematic study is made for the collective β and γ bands in even-even isotopes with neutron numbers N = 88 to 92 and proton numbers Z = 62 (Sm) to 70 (Yb). Data, including excitation energies, B(E0) and B(E2) values, and branching ratios from previously published experiments are collated with new data presented for the first time in this study. The experimental data are compared to calculations using a five-dimensional collective Hamiltonian (5DCH) based on the covariant density functional theory (CDFT). A realistic potential in the quadrupole shape parameters V (β, γ ) is determined from potential energy surfaces (PES) calculated using the CDFT. The parameters of the 5DCH are fixed and contained within the CDFT. Overall, a satisfactory agreement is found between the data and the calculations. In line with the energy staggering S(I ) of the levels in the 2γ + bands, the potential energy surfaces of the CDFT calculations indicate γ -soft shapes in the N = 88 nuclides, which become γ rigid for N = 90 and N = 92. The nature of the 02 + bands changes with atomic number. In the isotopes of Sm to Dy, they can be understood as β vibrations, but in the Er and Yb isotopes the 02 + bands have wave functions with large components in a triaxial superdeformed minimum. In the vicinity of 152Sm, the present calculations predict a soft potential in the β direction but do not find two coexisting minima. This is reminiscent of 152Sm exhibiting an X(5) behavior. The model also predicts that the 03 + bands are of two-phonon nature, having an energy twice that of the 02 + band. This is in contradiction with the data and implies that other excitation modes must be invoked to explain their origin.
Highlights: • Crystal structure of B. Subtilis PncA consists of an α/β domain and a subdomain. • The metal-binding site of BsPncA is located at the bottom of a large cavity between the core and the subdomain. • Zinc ion is pentahedrally coordinated within several highly conserved amino acid residues and one water molecule. • Both dimers and tetramers were observed in BsPncA protein crystals, but only dimers were observed in solution. The nicotinamidase/pyrazinamidase PncA is a member of a large family of hydrolase enzymes that catalyze the deamination of nicotinamide to nicotinic acid. PncA also functions as a pyrazinamidase in a wide variety of eubacteria and is an essential coenzyme in many cellular redox reactions in living systems. We report the crystal structure of substrate-free PncA from Bacillus subtilis (BsPncA) at 2.0 Å resolution to improve our understanding of the PncA family. The structure of BsPncA consists of an α/β domain and a subdomain. The subdomain of BsPncA has a different conformation than that of PncA enzymes from other organisms. The B-factor analysis revealed a rigid structure of the α/β domain, while the subdomain is highly flexible. Both dimers and tetramers were observed in BsPncA protein crystals, but only dimers were observed in solution. Our results provide useful information that will further enhance our understanding of the molecular functions of PncA family members.
Red emission with sharp bandwidth and high quantum yield are desired characteristics for organic chromophores in optoelectronic, spintronic, and biomedical applications. Here, we observe circularly polarized luminescence (CPL) with these characteristics from a benzo-fused BODIPY-BINOL complex (1). Using time-resolved optical spectroscopy, electrochemistry, and density functional theory calculations, we showed that the emissive excited state of 1 does not have a charge-transfer character, unlike the regular BODIPY counterpart (2). In conclusion, the rigidity and the lack of charge-transfer character make this class of molecules an appealing platform for CPL-active molecules in the red spectral region with ample room for improvement in the dissymmetry factor and brightness.
Vivianite, a hydrous ferrous iron-phosphate mineral (Fe 3 (PO 4 ) 2 ·8H 2 O), readily oxidizes in contact with air yielding the less hydrous mixed-valent iron-phosphate mineral metavivianite. This topotactic transformation nominally occurs by oxidative dehydrogenation in which outgoing electrons from the iron sublattice are charge compensated by hydrolysis of structural water. However, the details of this internal charge balancing mechanism that allows the structure to remain electrostatically stable remain unknown. Here, in this study, we use density functional theory (DFT) calculations and ab initio thermodynamics (AIT) to evaluate the energetics of this process in terms of hydrogen release as a function of environmental variables such as partial pressure and temperature. The results show a thermodynamic driving force for vivianite phase transformation as oxidation progresses that is triggered by its rigid structure that has a limited accommodation for hydrogen vacancies. In contrast, metavivianite has a more flexible lattice and hydrogen bond network that stabilizes these hydrogen defects. Metavivianite is shown to be a stable intermediate for 66% residual Fe 2+ down to 33% Fe 2+ , below which other phases/structures such as santabarbarite should be more thermodynamically favorable. Our study provides a basis for experimental tests of our mechanistic findings and helps fill a basic knowledge gap about the solid-state process that defines how vivianite interacts with its surrounding environment.
In this work, we propose a new formula that extracts the quantum Hall conductance from a single (2+1) D gapped wave function. The formula applies to general many-body systems that conserve particle number, and is based on the concept of modular flow, i.e., unitary dynamics generated from the entanglement structure of the wave function. The formula is shown to satisfy all formal properties of the Hall conductance: it is odd under time reversal and reflection, even under charge conjugation, universal and topologically rigid in the thermodynamic limit. Further evidence for relating the formula to the Hall conductance is obtained from conformal field theory arguments. Finally, we numerically check the formula by applying it to a noninteracting Chern band where excellent agreement is obtained.
High Efficiency Particulate Air (HEPA) filters are defined as extended-medium, dry-type filters with: (1) a minimum particle removal efficiency of no less than 99.97 percent for 0.3 micrometer particles, (2) a maximum, clean resistance of 1.0 inch water column (in. WC) when operated at 1,000 cubic feet per minute (CFM), and (3) a rigid casing that extends the full depth of the medium. Specifically, ceramic media HEPA filters provide better performance at elevated temperatures, are moisture resistant and nonflammable, can perform their function if wetted and exposed to greater pressures, and can be cleaned and reused. This paper describes the modification and design of a large scale test stand which properly evaluates the filtration characteristics of a range of ceramic media filters challenged with a nuclear aerosol agent in order to develop Section FO of ASME AG-1.
Wind tunnel tests to determine the dynamic characteristics of hingeless rotors with hub moment feedback controls and to acquire experimental hingeless rotor transfer functions are discussed. Rotor transfer functions were calculated from data acquired during open loop frequency response tests. The transfer functions are linear and present the rotor longitudinal and lateral frequency responses to collective pitch, longitudinal cyclic pitch, and lateral cyclic pitch. The theoretical analysis was based on the rigid blade flapping model coupled with appropriate control system and cyclic pitch actuator equations of motion.
Analytic expressions are found for Euler's Equations of Motion and for the Eulerian Angles for both symmetric and near symmetric rigid bodies under the influence of arbitrary constant body-fixed torques. These solutions provide the body-fixed angular velocities and the attitude of the body, respectively, as functions of time. They are of special interest in applications to spinning spacecraft (such as the Galileo Spacecraft to be launched in 1984) because they include the effect of time-varying spin rate. Thus they can be applied to spin-up and spin-down maneuvers as well as to error analysis for thruster misalignments. The solutions are given for arbitrary initial conditions in terms of Fresnel, Sine and Cosine Integrals. Numerical integration of the governing differential equations has verified that the approximate analytic solutions are very accurate in many physical situations of interest.
Recent insights into the nature of catalysts under reactive conditions have motivated investigating heterogeneously catalyzed reactions with non-rigid surfaces. As an example system to revisit, CO interactions with gold have been a longstanding system of interest due to its structure sensitivity. In this work, we investigate coverage-dependent CO adsorption trends on terraces, steps, and kinks. Calculating differential binding energy and mean absolute displacement of the atomic structures as a function of CO coverage, we propose a deformation quenching mechanism that partially determines CO saturation coverage. Extending this analysis to consider CO partial pressure, we show a phase change in CO step occupation, which we highlight as a possible explanation for previously reported temperature-programmed desorption and Fourier-transform infrared reflection-absorption spectroscopy measurements. Furthermore, this work shows how adopting a non-rigid surface model can lead to additional insights which may be applied to other heterogeneously catalyzed systems.
Here, the understanding of the negative thermal expansion (NTE) mechanism is vital not only for the development of new NTE compounds but also for effectively controlling thermal expansion. Here, we report an interesting isotropic NTE property in cubic GaFe(CN) 6 Prussian blue analogues (α l = –3.95 × 10 –6 K –1 , 100–475 K), which is a new example to understand the complex NTE mechanism. A combined study of synchrotron X-ray diffraction, X-ray total scattering, X-ray absorption fine structure, neutron powder diffraction, and density functional theory calculations shows that the NTE of GaFe(CN)6 originates from the low-frequency phonons (< ~100 cm –1 ), which are directly related to the transverse vibrations of the atomic –Ga–N≡C–Fe– chains. Both the Ga–N and Fe–C chemical bonds are much softer to bend than to stretch. The direct evidence that transverse vibrational contribution to the NTE of GaFe(CN) 6 is dominated by N, instead of C atoms, is illustrated. It is interesting to find that the polyhedra of GaFe(CN) 6 are not rigid, which is a starting assumption in some models describing the NTE properties of other systems. The NTE mechanism can be vividly described by the “guitar-string” effect, which would be the common feature for the NTE property of many open-framework functional materials, such as Prussian blue analogues, oxides, cyanides, metal–organic frameworks, and zeolites.