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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

The Hamiltonian structure of Dirac's equation in tensor form and its Fermi quantization

Currently, there is some interest in studying the tensor forms of the Dirac equation to elucidate the possibility of the constrained tensor fields admitting Fermi quantization. We demonstrate that the bispinor and tensor Hamiltonian systems have equivalent Fermi quantizations. Although the tensor Hamiltonian system is noncanonical, representing the tensor Poisson brackets as commutators for the Heisenberg operators directly leads to Fermi quantization without the use of bispinors.

Reifler, Frank↗

Orbit structure of Hamiltonian systems arising from Lie transformation group actions

This paper associates the Riccati group and its group action on linear-quadratic optimal control problems to the action of a Lie transformation group on a set of Hamiltonian matrices. In this Lie theoretic setting results are presented concerning the associated orbit structure and the structure of the group itself. These results are of importance in understanding the solution structure of matrix Riccati differential equations, and thus also of importance in linear-quadratic optimal control.

Garzia, M. R.↗

Motion and force control for multiple cooperative manipulators

The motion and force control of multiple robot arms manipulating a commonly held object is addressed. A general control paradigm that decouples the motion and force control problems is introduced. For motion control, there are three natural choices: (1) joint torques, (2) arm-tip force vectors, and (3) the acceleration of a generalized coordinate. Choice (1) allows a class of relatively model-independent control laws by exploiting the Hamiltonian structure of the open-loop system; (2) and (3) require the full model information but produce simpler problems. To resolve the nonuniqueness of the joint torques, two methods are introduced. If the arm and object models are available, the allocation of the desired end-effector control force to the joint actuators can be optimized; otherwise the internal force can be controlled about some set point. It is shown that effective force regulation can be achieved even if little model information is available.

Wen, John T.↗

Motion and force control of multiple robotic manipulators

This paper addresses the motion and force control problem of multiple robot arms manipulating a cooperatively held object. A general control paradigm is introduced which decouples the motion and force control problems. For motion control, different control strategies are constructed based on the variables used as the control input in the controller design. There are three natural choices; acceleration of a generalized coordinate, arm tip force vectors, and the joint torques. The first two choices require full model information but produce simple models for the control design problem. The last choice results in a class of relatively model independent control laws by exploiting the Hamiltonian structure of the open loop system. The motion control only determines the joint torque to within a manifold, due to the multiple-arm kinematic constraint. To resolve the nonuniqueness of the joint torques, two methods are introduced. If the arm and object models are available, an optimization can be performed to best allocate the desired and effector control force to the joint actuators. The other possibility is to control the internal force about some set point. It is shown that effective force regulation can be achieved even if little model information is available.

Wen, John T.↗

2D Quantum Simulation of MOSFET Using the Non Equilibrium Green's Function Method

The objectives this viewgraph presentation summarizes include: (1) the development of a quantum mechanical simulator for ultra short channel MOSFET simulation, including theory, physical approximations, and computer code; (2) explore physics that is not accessible by semiclassical methods; (3) benchmarking of semiclassical and classical methods; and (4) study other two-dimensional devices and molecular structure, from discretized Hamiltonian to tight-binding Hamiltonian.

Svizhenko, Alexel↗

The geometric approach to sets of ordinary differential equations and Hamiltonian dynamics

The calculus of differential forms is used to discuss the local integration theory of a general set of autonomous first order ordinary differential equations. Geometrically, such a set is a vector field V in the space of dependent variables. Integration consists of seeking associated geometric structures invariant along V: scalar fields, forms, vectors, and integrals over subspaces. It is shown that to any field V can be associated a Hamiltonian structure of forms if, when dealing with an odd number of dependent variables, an arbitrary equation of constraint is also added. Families of integral invariants are an immediate consequence. Poisson brackets are isomorphic to Lie products of associated CT-generating vector fields. Hamilton's variational principle follows from the fact that the maximal regular integral manifolds of a closed set of forms must include the characteristics of the set.

Estabrook, F. B.↗

Berry phase in Heisenberg representation

We define the Berry phase for the Heisenberg operators. This definition is motivated by the calculation of the phase shifts by different techniques. These techniques are: the solution of the Heisenberg equations of motion, the solution of the Schrodinger equation in coherent-state representation, and the direct computation of the evolution operator. Our definition of the Berry phase in the Heisenberg representation is consistent with the underlying supersymmetry of the model in the following sense. The structural blocks of the Hamiltonians of supersymmetrical quantum mechanics ('superpairs') are connected by transformations which conserve the similarity in structure of the energy levels of superpairs. These transformations include transformation of phase of the creation-annihilation operators, which are generated by adiabatic cyclic evolution of the parameters of the system.

Andreev, V. A.↗

The millimeter/submillimeter rotational spectrum of CaCCH(X(sup 2)Sigma(+))

The pure rotational spectrum of the CaCCH radical (X(sup 2) Sigma(+)) has been measured in the laboratory using millimeter/submillimeter direct absorption spectroscopy. The species was created in a d.c. discharge by the reaction of calcium vapor and acetylene. Twenty-two rotational transitions of this molecule were recorded in the frequency range 230-380 GHz to an accuracy of +/- 150 kHz. Spin-rotation splittings, but no proton hyperfine structure, were observed for CaCCH. The data were analyzed using a (sup 2) Sigma Hamiltonian, and rotational and fine structure constants were determined. These measurements have resulted in accurate rest frequencies for CaCCH to be used for astronomical searches. A calcium-bearing molecule has yet to be observed in interstellar or circumstellar gas.

Anderson, M. A.↗

Neutral line chaos and phase space structure

Phase space structure and chaos near a neutral line are studied with numerical surface-of-section (SOS) techniques and analytic methods. Results are presented for a linear neutral line model with zero crosstail electric field. It was found that particle motion can be divided into three regimes dependening on the value of the conserved canonical momentum, Py, and the conserved Hamiltonian, h. The phase space structure, using Poincare SOS plots, is highly sensitive to bn = Bn/B0 variations, but not to h variations. It is verified that the slow motion preserves the action, Jz, as evaluated by Sonnerup (1971), when the period of the fast motion is smaller than the time scale of the slow motion. Results show that the phase space structure and particle chaos depend sensitively upon Py and bn, but are independent of h.

Burkhart, Grant R.↗

Relativistic and Correlation Effects in CuH, AgH and AuH: Comparison of Various Relativistic Methods

The effects of relativity on the bond lengths, dissociation energies, and harmonic vibrational frequencies of the 1Epsilon(+) electronic ground states of the group IB hydrides CuH, AgH and AuH have been evaluated with a variety of ab initio methods. These properties were investigated with moderately-sized basis sets at the self-consistent field Hartree Fock (SCF HF) level and with second-order Moller-Plesset (MP2) perturbation theory for electron correlation. Comparisons were made between all-electron results using the nonrelativistic Hamiltonian, perturbation theory (PT) at first-order with only the one-electron non-fine structure terms of the Breit-Pauli Hamiltonian, the spin-free Douglas-Kroll (DK) transformed Dirac Hamiltonian and the untransformed Dirac Hamiltonian, and results using two sets of relativistic effective core potentials (RECPs). The expected trends of bond length decrease, dissociation energy increase and harmonic frequency increase with both relativity and correlation are found. Both sets of RECPs are shown to give good results, if accompanied by a reasonable basis set. The DK method is demonstrated to be an inexpensive, reliable approximation to the DHF method.

Collins, Charlene L.↗

Use of asymptotic methods in vibration analysis

The derivation of dynamic differential equations, suitable for studying the vibrations of rotating, curved, slender structures was examined, and the Hamiltonian procedure was advocated for this purpose. Various reductions of the full system are displayed, which govern the vibrating troposkien when various order of magnitude restrictions are placed on important parameters. Possible advantages of the WKB asymptotic method for solving these classes of problems are discussed. A special case of this method is used illustratively to calculate eigenvalues and eigenfunctions for a flat turbine blade with small flexural stiffness.

Ashley, H.↗

Measurement and analysis of the nu3 band of methane.

The resolution enhancement procedure of Jansson et al. (1970) is applied to new high resolution spectra to obtain additional information about the tetrahedral fine structure. The effective vibration-rotation Hamiltonian given by Susskind (1972) is then used to interpret these data. It is found that virtually every detail of the observed spectrum is predicted. Many details of the deconvoluted spectra which were not evident in the observed spectrum are verified.

Barnes, W. L.↗

Molecular Static Third-Order Polarizabilities of Carbon-Cage Fullerene and Their Correlation with Three Geometric Properties: Symmetry, Aromaticity, and Size

The static third-order polarizabilities (gamma) of C60, C70, five isomers of C78 and two isomers of C84 were analyzed in terms of three properties, from a geometric point of view: symmetry, aromaticity and size. The polarizability values were based on the finite field approximation using a semiempirical Hamiltonian (AM1) and applied to molecular structures obtained from density functional theory calculations. Symmetry was characterized by the molecular group order. The selection of 6-member rings as aromatic was determined from an analysis of bond lengths. Maximum interatomic distance and surface area were the parameters considered with respect to size. Based on triple linear regression analysis, it was found that the static linear polarizability (alpha) and gamma in these molecules respond differently to geometrical properties: alpha depends almost exclusively on surface area while gamma is affected by a combination of number of aromatic rings, length and group order, in decreasing importance. In the case of alpha, valence electron contributions provide the same information as all-electron estimates. For gamma, the best correlation coefficients are obtained when all-electron estimates are used and when the dependent parameter is ln(gamma) instead of gamma.

Moore, C. E.↗

Measurement of absolute cross sections for excitation of the 2s(2) S-1 -> 2s2p P-1 degrees transition in O+4

Experimental cross sections are reported for the 1s(2)2s(2) S-1 -> 1s(2)2s2p P-1(o) transition in O+4 located at 19.689 eV. Use is made of the electron energy-loss method, using a merged electron-ion beam geometry. The center-of-mass interaction energies for the measurements in the S-1 -> P-1(o) transition are in the range 18 eV ( below the threshold) to 30 eV. Data are compared with other previous electron energy-loss measurements and with results of a 26 term R-matrix calculation that includes fine structure explicitly via the Breit-Pauli Hamiltonian. Clear resonance enhancement is observed in all experimental and theoretical results near the threshold for this S-1 -> P-1(o) transition.

atomic processes↗

Shapes and stability of algebraic nuclear models

A generalization of the procedure to study shapes and stability of algebraic nuclear models introduced by Gilmore is presented. One calculates the expectation value of the Hamiltonian with respect to the coherent states of the algebraic structure of the system. Then equilibrium configurations of the resulting energy surface, which depends in general on state variables and a set of parameters, are classified through the Catastrophe theory. For one- and two-body interactions in the Hamiltonian of the interacting Boson model-1, the critical points are organized through the Cusp catastrophe. As an example, we apply this Separatrix to describe the energy surfaces associated to the Rutenium and Samarium isotopes.

Lopez-Moreno, Enrique↗